Identifying the crust-mantle interactions in association with the evolution of the Precambrian microcontinents provides critical constraints on the accretionary evolution in the Central Asian Orogenic Belt(CAOB).The B...Identifying the crust-mantle interactions in association with the evolution of the Precambrian microcontinents provides critical constraints on the accretionary evolution in the Central Asian Orogenic Belt(CAOB).The Bainaimiao arc terrane(BAT)is one of the most important Precambrian microcontinents in southeastern CAOB,however,few studies have paid attention to the types and the evolving processes of the crust-mantle interactions that occurred before its final accretion onto the northern North China Craton.This study presents an integrated study of geochronology,zircon Hf isotope and whole-rock geochemistry on the latest Neoproterozoic diabases and the Early Paleozoic arc intrusions in the western BAT.The latest Neoproterozoic(ca.546 Ma)diabases display low SiO2(46.52-49.24 wt.%)with high MgO(8.23-14.41 wt.%),Cr(66-542 ppm)and Ni(50-129 ppm),consisting with mantle origin.Their highly negative zirconεHf(t)(-12.0 to-24.7)and high Fe/Mn ratios(62.1-81.7)further indicate a significantly enriched mantle source.Considering that the BAT maybe initially separated from the Tarim Craton with a thickened crustal root,we propose that these diabases were generated through partial melting of an enriched lithospheric mantle source that had been hybridized by lower-crustal eclogites during foundering of the BAT lower crust.The Early Paleozoic(ca.475-417 Ma)arc intrusions in western BAT can be divided into PeriodsⅠandⅡat approximately 450 Ma.The PeriodⅠ(>450 Ma)intrusions contain abundant mafic minerals like hornblende and pyroxene,and show positive zirconεHf(t)(+1.5 to+10.9).They are predominantly medium-K calc-alkaline with broad correlations of SiO2 versus various major and trace elements,which correlate well with the experimental melts produced by the fractional crystallization of primitive hydrous arc magmas at 7 kbar.We assume they were formed through mid-crustal differentiation of the mantle wedge-derived hydrous basaltic melts.By contrast,the PeriodⅡ(≤450 Ma)intrusions are characterized by variable zircon eHf(t)(-15.0 to+11.5)with irregular variations in most major and trace elements,which are more akin to the arc magmas generated in an open system.The general occurrence of elder inherited zircons,along with the relatively high Mg#(>45)of some samples,call upon a derivation from the reworking of the previously subduction-modified BAT lower crust with the input of mantle-derived mafic components.In combination with the Early Paleozoic tectonic melanges flanking western BAT,we infer that the compositional transition from PeriodⅠtoⅡcan be attributed to the tectonic transition from south-dipping subduction of Solonker ocean to north-dipping subduction of South Bainaimiao ocean in southeastern CAOB.The above results shed light not only on the latest Neoproterozoic to Early Paleozoic multiple crust-mantle interactions in western BAT,but also on the associated crustal construction processes before the final arc-continent accretion.展开更多
The distribution of Neogene felsic porphyries intruding in earlier granitic batholiths was mainly controlled by north-south-tending rifting zones and normal faults. The main rock types of the felsic porphyries include...The distribution of Neogene felsic porphyries intruding in earlier granitic batholiths was mainly controlled by north-south-tending rifting zones and normal faults. The main rock types of the felsic porphyries include granodiorite-porphyry, monzonitic granite-porphyry and quartz monzonitic porphyry. The porphyries are characterized by high SiO2 ((?)64.26%) and Al2O3 (>15% at 70% SiO2), low Y and HREE (Yb) contents, strong enrichment of LILE and LERR, especially K and ST. Geochemical features of the porphyries show distinct adakitic magma affinity. Nd, Sr and Pb isotopic compositions of the porphyries form a linear alignment from MORB to EM2, suggesting a mixing of the MORB reservoir with the metasomatized mantle reservoir. Considering also the geochemical characteristics of the porphyries and the sequence of observable structural-thermal-magmatic events at Gangdise, it is thought that the Neogene porphyries were formed by partial melting of dead subducted oceanic crust in a post-collision setting. K-enrichment in the porphyries is attributed to the interaction of slab-derived melts, i.e., adakites, with the metasomatized mantle during the ascent. There might be a delamination of residual eclogites or amphibole eclogites before the eruption of potassic lava on the Tibetan plateau since 13 Ma.展开更多
Latest Permian to Triassic plutons are widespread in the northern North China Craton(NCC); most of them show calc-alkaline, high-K calc-alkaline, or alkaline geochemical features. The Shadegai pluton in the Wulashan a...Latest Permian to Triassic plutons are widespread in the northern North China Craton(NCC); most of them show calc-alkaline, high-K calc-alkaline, or alkaline geochemical features. The Shadegai pluton in the Wulashan area has shoshonitic affinity and I-type character, and is composed of syenogranites containing abundant mafic microgranular enclaves(MMEs). LA-MC-ICP-MS U-Pb data yield weighted mean 206 Pb/238 U ages of 222 ± 1 Ma and 221 ± 1 Ma for the syenogranites and MMEs, respectively, suggesting their coeval formation during the Late Triassic. The syenogranites have high SiO_2(70.42-72.30 wt%),K_2O(4.58-5.22 wt.%) and Na_2O(4.19-4.43 wt.%) contents but lower concentrations of P_2O_5(0.073-0.096 wt.%) and TiO_2(0.27-0.37 wt.%), and are categorized as I-type granites, rather than A-type granites, as previously thought. These syenogranites exhibit lower(^(87)Sr/^(86)Sr)i ratios(0.70532-0.70547) and strongly negative whole-rock εNd(t) values(-12.54 to-11.86) and zircon εHf(t) values(-17.81 to-10.77),as well as old Nd(1962-2017 Ma) and Hf(2023-2092 Ma) model ages, indicating that they were derived from the lower crust.Field and petrological observations reveal that the MMEs within the pluton probably represent magmatic globules commingled with their host magmas. Geochemically, these MMEs have low SiO_2(53.46-55.91 wt.%)but high FeOt(7.27-8.79 wt.%) contents. They are enriched in light rare earth elements(LREEs) and large ion lithophile elements(LILEs), and are depleted in heavy rare earth elements(HREEs) and high field strength elements(HFSEs). They have whole-rock(^(87)Sr/^(86)Sr)i ratios varying from 0.70551 to 0.70564, εNd(t) values of -10.63 to -9.82, and zircon εHf(t) values of -9.89 to 0.19. Their geochemical and isotopic features indicate that they were derived from the subcontinental lithospheric mantle mainly metasomatized by slab-derived fluids, with minor involvement of melts generated from the ascending asthenospheric mantle. Petrology integrated with elemental and isotopic geochemistry suggest that the Shadegai pluton was produced by crust-mantle interactions, i.e., partial melting of the lower continental crust induced by underplating of mantle-derived mafic magmas(including the subcontinental lithospheric mantle and asthenospheric mantle), and subsequent mixing of the mantle-and crust-derived magmas. In combination with existing geological data, it is inferred that the Shadegai pluton formed in a post-collisional extensional regime related to lithospheric delamination following the collision between the NCC and Mongolia arc terranes.展开更多
The finite element method was used to solve fluid dynamic interaction problems between the crust and mantle of the Earth. To consider different mechanical behaviours, the lithosphere consisting of the crust and upper ...The finite element method was used to solve fluid dynamic interaction problems between the crust and mantle of the Earth. To consider different mechanical behaviours, the lithosphere consisting of the crust and upper mantle was simulated as fluid-saturated porous rocks, while the upper aesthenospheric part of the mantle was simulated as viscous fluids. Since the whole lithosphere was computationally simulated, the dynamic interaction between the crust and the upper mantle was appropriately considered. In particular, the mixing of mantle fluids and crustal fluids was simulated in the corresponding computational model. The related computational simulation results from an example problem demonstrate that the mantle fluids can flow into the crust and mix with the crustal fluids due to the resulting convective flows in the crust-mantle system. Likewise, the crustal fluids can also flow into the upper mantle and mix with the mantle fluids. This kind of fluids mixing and exchange is very important to the better understanding of the governing processes that control the ore body formation and mineralization in the upper crust of the Earth.展开更多
Plate subduction is an important mechanism for exchanging the mass and energy between the mantle and the crust,and the igneous rocks in subduction zones are the important carriers for studying the recycling of crustal...Plate subduction is an important mechanism for exchanging the mass and energy between the mantle and the crust,and the igneous rocks in subduction zones are the important carriers for studying the recycling of crustal materials and the crust-mantle interaction.This study presents a review of geochronology and geochemistry for postcollisional mafic igneous rocks from the Hong’an-Dabie-Sulu orogens and the southeastern edge of the North China Block.The available results indicate two types of the crust-mantle interaction in the continental subduction zone,which are represented by two types of mafic igneous rocks with distinct geochemical compositions.The first type of rocks exhibit arc-like trace element distribution patterns(i.e.enrichment of LILE,LREE and Pb,but depletion of HFSE)and enriched radiogenic Sr-Nd isotope compositions,whereas the second type of rocks show OIB-like trace element distribution patterns(i.e.enrichment of LILE and LREE,but no depletion of HFSE)and depleted radiogenic Sr-Nd isotope compositions.Both of them have variable zircon O isotope compositions,which are different from those of the normal mantle zircon,and contain residual crustal zircons.These geochemical features indicate that the two types of mafic igneous rocks were originated from the different natures of mantle sources.The mantle source for the second type of rocks would be generated by reaction of the overlying juvenile lithospheric mantle with felsic melts originated from previously subducted oceanic crust,whereas the mantle source for the first type of rocks would be generated by reaction of the overlying ancient lithospheric mantle of the North China Block with felsic melts from subsequently subducted continental crust of the South China Block.Therefore,there exist two types of the crust-mantle interaction in the continental subduction zone,and the postcollisional mafic igneous rocks provide petrological and geochemical records of the slab-mantle interactions in continental collision orogens.展开更多
Garnet-rich granulite xenoliths collected from the Hannuoba basalts, the North China craton (NCC), were studied to reveal the Mesozoic crnst-mantle interaction. These xenoliths are characterized by low SiO2 (37.7 w...Garnet-rich granulite xenoliths collected from the Hannuoba basalts, the North China craton (NCC), were studied to reveal the Mesozoic crnst-mantle interaction. These xenoliths are characterized by low SiO2 (37.7 wt.%-46.0 wt.%) and high Al2O3 (10.8 wt.%-17.9 wt.%) contents. Their Mg# (60-75, Mg#=100×Mg/(Mg+Fe), atomic number) are relatively low for their low SiO2 contents. They have low rare-earth element (REE) contents and LREE-rich REE patterns, and show remarkable enrichments in Sr relative to the adjacent REE. Some of them exhibit convex RISE patterns with a maximum at Nd and remarkably positive Eu anomalies. Taking into account their high garnet mode (generally 〉30%), these features suggest that they are high-pressure metamorphic products of lowpressure cumulates (e.g., gabbro) after it had been depressed into the garnet stability field. They have evolved Nd and Sr isotopic compositions (143Nd/144Nd=0.511 763-0.512 173, STSr/86Sr=0.705 34-0.706 99) and fall in the trend defined by the 〉110 Ma Mesozoic basalts and high-Mg# andesites from the NCC. Zircon U-Pb dating by LA-ICP-MS shows a wide age range from 83 to 2 581 Ma, most of which cluster in 83-134 Ma. CL images of some Mesozoic zircons from the granulites show typical features of igneous zircons, providing direct evidence for the Mesozoic underplating event in this area. Neither peridotite-derived basaltic underplating model nor residue model of ancient lower crust after lithospheric thinning alone can reasonably explain the above features of the garnet-Hch granulite xenoliths. Combined with the previous research, we propose that most of the granulite xenoliths from the Hannuoba basalts are products of the Mesozoic magmatie underplating and mixing with the pre-existing lower crust (i.e., AFC process). However, the melts could be mostly derived from partial melting of basaltic layers that were previously subducted (a fossil oceanic slab) or underplated into the base of the lithospheric mantle, or from partial melting of Archean lithospheric mantle that was variably hybridised by melts derived from foundered lower crustal edogite, although it cannot be excluded that some of the melts were derived from depleted man. tie peridotite. In other words, parent melts of most granulite xenoliths could share the same petrogenesis as the〉110 Ma Mesozoic basalts from the NCC.展开更多
It is proposed in the subduction channel model that the plate interface interaction is a basic mechanism for the mass and energy exchange between Earth’s surface and interior.The significant difference in composition...It is proposed in the subduction channel model that the plate interface interaction is a basic mechanism for the mass and energy exchange between Earth’s surface and interior.The significant difference in composition and nature between continental lithosphere and oceanic lithosphere inevitably leads to variations in deep physical and chemical processes as well as crust-mantle interaction products in these two settings.Many studies of experimental petrology have provided constraints on the potential partial melting and crust-mantle interaction in oceanic subduction channels for silicate and carbonate rocks.The partial melts of mafic and felsic compositions are adakitic or non-adakitic granitic melts depending on melting pressure or depth.A trivial amount of CO2 can lower significantly the melting temperature of peridotites and lead to pronounced enrichment of incompatible elements in carbonate melt.The silica saturated or unsaturated melts can react with mantle-wedge peridotites in subduction channels to generate complex products.However,the existing experiments are mostly dedicated to island arc settings above oceanic subduction zones rather than dehydration melting above continental subduction zones.It is crucial to conduct high pressure and high temperature experiments to investigate all possible reactions between peridotites and crustal materials and their derivatives under the conditions responsible for the slab-mantle interface in continental subduction channels.Experimental results,combined with natural observations,are possible to elucidate the processes of metamorphic dehydration,partial melting and mantle metasomatism in continental subduction channels.展开更多
The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceu...The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceutical formulations.In this work,a developed machine-learning model efficiently predicts the solubility of APIs in polymers by learning the phase equilibrium principle and using a few molecular descriptors.Under the few-shot learning framework,thermodynamic theory(perturbed-chain statistical associating fluid theory)was used for data augmentation,and computational chemistry was applied for molecular descriptors'screening.The results showed that the developed machine-learning model can predict the API-polymer phase diagram accurately,broaden the solubility data of APIs in polymers,and reproduce the relationship between API solubility and the interaction mechanisms between API and polymer successfully,which provided efficient guidance for the development of pharmaceutical formulations.展开更多
Ruthenium(Ru)has been regarded as one of the most promising alternatives to substitute Pt for catalyzing alkaline hydrogen evolution reaction(HER),owing to its inherent high activity and being the cheapest platinum-gr...Ruthenium(Ru)has been regarded as one of the most promising alternatives to substitute Pt for catalyzing alkaline hydrogen evolution reaction(HER),owing to its inherent high activity and being the cheapest platinum-group metal.Herein,based on the idea of strong metal–support interaction(SMSI)regulation,Ru/TiN catalysts with different degrees of TiN overlayer over Ru nanoparticles were fabricated,which were applied to the alkaline electrolytic water.Characterizations reveal that the TiN overlayer would gradually encapsulate the Ru nanoparticles and induce more electron transfer from Ru nanoparticles to TiN support by the Ru–N–Ti bond as the SMSI degree increased.Further study shows that the exposed Ru–TiN interfaces greatly promote the H_(2) desorption capacity.Thus,the Ru/TiN-300 with a moderate SMSI degree exhibits excellent HER performance,with an overpotential of 38 mV at 10 mA cm^(−2).Also,due to the encapsulation role of TiN overlayer on Ru nanoparticles,it displays super long-term stability with a very slight potential change after 24 h.This study provides a deep insight into the influence of the SMSI effect between Ru and TiN on HER and offers a novel approach for preparing efficient and stable HER electrocatalysts through SMSI engineering.展开更多
Metal-organic framework(MOF)-derived carbon composites have been considered as the promising materials for energy storage.However,the construction of MOF-based composites with highly controllable mode via the liquid-l...Metal-organic framework(MOF)-derived carbon composites have been considered as the promising materials for energy storage.However,the construction of MOF-based composites with highly controllable mode via the liquid-liquid synthesis method has a great challenge because of the simultaneous heterogeneous nucleation on substrates and the self-nucleation of individual MOF nanocrystals in the liquid phase.Herein,we report a bidirectional electrostatic generated self-assembly strategy to achieve the precisely controlled coatings of single-layer nanoscale MOFs on a range of substrates,including carbon nanotubes(CNTs),graphene oxide(GO),MXene,layered double hydroxides(LDHs),MOFs,and SiO_(2).The obtained MOF-based nanostructured carbon composite exhibits the hierarchical porosity(V_(meso)/V_(micro)∶2.4),ultrahigh N content of 12.4 at.%and"dual electrical conductive networks."The assembled aqueous zinc-ion hybrid capacitor(ZIC)with the prepared nanocarbon composite as a cathode shows a high specific capacitance of 236 F g^(-1)at 0.5 A g^(-1),great rate performance of 98 F g^(-1)at 100 A g^(-1),and especially,an ultralong cycling stability up to 230000 cycles with the capacitance retention of 90.1%.This work develops a repeatable and general method for the controlled construction of MOF coatings on various functional substrates and further fabricates carbon composites for ZICs with ultrastability.展开更多
Ultrasmall gold nanoparticles(AuNPs)typically includes atomically precise gold nanoclusters(AuNCs)and AuNPs with a core size below 3 nm.Serving as a bridge between small molecules and traditional inorganic nanoparticl...Ultrasmall gold nanoparticles(AuNPs)typically includes atomically precise gold nanoclusters(AuNCs)and AuNPs with a core size below 3 nm.Serving as a bridge between small molecules and traditional inorganic nanoparticles,the ultrasmall AuNPs show the unique advantages of both small molecules(e.g.,rapid distribution,renal clearance,low non-specific organ accumulation)and nanoparticles(e.g.,long blood circulation and enhanced permeability and retention effect).The emergence of ultrasmall AuNPs creates significant opportunities to address many challenges in the health field including disease diagnosis,monitoring and treatment.Since the nano–bio interaction dictates the overall biological applications of the ultrasmall AuNPs,this review elucidates the recent advances in the biological interactions and imaging of ultrasmall AuNPs.We begin with the introduction of the factors that influence the cellular interactions of ultrasmall AuNPs.We then discuss the organ interactions,especially focus on the interactions of the liver and kidneys.We further present the recent advances in the tumor interactions of ultrasmall AuNPs.In addition,the imaging performance of the ultrasmall AuNPs is summarized and discussed.Finally,we summarize this review and provide some perspective on the future research direction of the ultrasmall AuNPs,aiming to accelerate their clinical translation.展开更多
Tree interactions are essential for the structure,dynamics,and function of forest ecosystems,but variations in the architecture of life-stage interaction networks(LSINs)across forests is unclear.Here,we constructed 16...Tree interactions are essential for the structure,dynamics,and function of forest ecosystems,but variations in the architecture of life-stage interaction networks(LSINs)across forests is unclear.Here,we constructed 16 LSINs in the mountainous forests of northwest Hebei,China based on crown overlap from four mixed forests with two dominant tree species.Our results show that LSINs decrease the complexity of stand densities and basal areas due to the interaction cluster differentiation.In addition,we found that mature trees and saplings play different roles,the first acting as“hub”life stages with high connectivity and the second,as“bridges”controlling information flow with high centrality.Across the forests,life stages with higher importance showed better parameter stability within LSINs.These results reveal that the structure of tree interactions among life stages is highly related to stand variables.Our efforts contribute to the understanding of LSIN complexity and provide a basis for further research on tree interactions in complex forest communities.展开更多
Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is...Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is investigated.By analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of 0.96.For the same salt,a positive correlation was found between CTR and the molar ratio of salt and water.For type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,respectively.The solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions.展开更多
Atomistic modeling is a widely employed theoretical method of computational materials science.It has found particular utility in the study of magnetic materials.Initially,magnetic empirical interatomic potentials or s...Atomistic modeling is a widely employed theoretical method of computational materials science.It has found particular utility in the study of magnetic materials.Initially,magnetic empirical interatomic potentials or spinpolarized density functional theory(DFT)served as the primary models for describing interatomic interactions in atomistic simulations of magnetic systems.Furthermore,in recent years,a new class of interatomic potentials known as magnetic machine-learning interatomic potentials(magnetic MLIPs)has emerged.These MLIPs combine the computational efficiency,in terms of CPU time,of empirical potentials with the accuracy of DFT calculations.In this review,our focus lies on providing a comprehensive summary of the interatomic interaction models developed specifically for investigating magnetic materials.We also delve into the various problem classes to which these models can be applied.Finally,we offer insights into the future prospects of interatomic interaction model development for the exploration of magnetic materials.展开更多
The Brown-Preston-Singleton(BPS)stopping power model is added to our previously developed hybrid code to model ion beam-plasma interaction.Hybrid simulations show that both resistive field and ion scattering effects a...The Brown-Preston-Singleton(BPS)stopping power model is added to our previously developed hybrid code to model ion beam-plasma interaction.Hybrid simulations show that both resistive field and ion scattering effects are important for proton beam transport in a solid target,in which they compete with each other.When the target is not completely ionized,the self-generated resistive field effect dominates over the ion scattering effect.However,when the target is completely ionized,this situation is reversed.Moreover,it is found that Ohmic heating is important for higher current densities and materials with high resistivity.The energy fraction deposited as Ohmic heating can be as high as 20%-30%.Typical ion divergences with half-angles of about 5°-10°will modify the proton energy deposition substantially and should be taken into account.展开更多
The Kandi basin is located in northeast Benin (West Africa). This study is focused on the estimation of water fluxes exchanged between the river Niger (and its tributaries) and the transboundary Iullemeden Aquifer Sys...The Kandi basin is located in northeast Benin (West Africa). This study is focused on the estimation of water fluxes exchanged between the river Niger (and its tributaries) and the transboundary Iullemeden Aquifer System. In that framework, an innovative approach based on the application of the Bayesian Mixing Model (MixSIAR) analysis on water isotopes (oxygen-18, deuterium and tritium) was performed. Moreover, to assess the relevance of the model outputs, Pearson’s correlation and Principal Component Analysis (PCA) have been done. A complex relationship between surface water and groundwater has been found. Sixty percent (60%) of groundwater samples are made of more than 70% river water and rainwater;while 31.25% of surface water samples are made of about 84% groundwater. To safeguard sustainable water resources for the well-being of the local communities, surface water and groundwater must be managed as a unique component in the Kandi basin.展开更多
In this work,a numerical study of the effects of soil-structure interaction(SSI)and granular material-structure interaction(GSI)on the nonlinear response and seismic capacity of flat-bottomed storage silos is conducte...In this work,a numerical study of the effects of soil-structure interaction(SSI)and granular material-structure interaction(GSI)on the nonlinear response and seismic capacity of flat-bottomed storage silos is conducted.A series of incremental dynamic analyses(IDA)are performed on a case of large reinforced concrete silo using 10 seismic recordings.The IDA results are given by two average IDA capacity curves,which are represented,as well as the seismic capacity of the studied structure,with and without a consideration of the SSI while accounting for the effect of GSI.These curves are used to quantify and evaluate the damage of the studied silo by utilizing two damage indices,one based on dissipated energy and the other on displacement and dissipated energy.The cumulative energy dissipation curves obtained by the average IDA capacity curves with and without SSI are presented as a function of the base shear,and these curves allow one to obtain the two critical points and the different limit states of the structure.It is observed that the SSI and GSI significantly influence the seismic response and capacity of the studied structure,particularly at higher levels of PGA.Moreover,the effect of the SSI reduces the damage index of the studied structure by 4%.展开更多
Background Major depressive disorders(MDDs)impose substantial burdens on individuals and society;however,further detailed analysis is still needed for its long-term trends.Aims This study aimed to analyse the gender-s...Background Major depressive disorders(MDDs)impose substantial burdens on individuals and society;however,further detailed analysis is still needed for its long-term trends.Aims This study aimed to analyse the gender-specific temporal trends and cohort variations of MDD incidence among Chinese residents over the past three decades.Methods Employing the age-period-cohort-interaction model and leveraging data from the Global Burden of Disease Study 2019,this research identified and analysed incidence trends of MDD among Chinese males and females aged 5-94 years from 1990 to 2019 across three dimensions,encompassing age,period and birth cohort.Results The analysis reveals age-related effects,indicating heightened MDD risk among adolescents and older adults.Specifically,individuals entering the older adulthood at the age of 65-69 significantly increased the risk of MDD by 64.9%.People aged 90-94 years witnesseda 105.4%increase in MDD risk for the overall population,with females and males in this age group experiencing a 75.1%and 103.4%increase,respectively.In terms of period effects,the risk of MDD displayed a decline from 1990 to 1994,followed by a rebound in 2008.Cohort effects demonstrated diverse generational patterns,with generationⅠand generationⅢmanifesting opposing‘age-as-level'trends.GenerationⅡand generationⅣexhibited'cumulative disadvantage'and'cumulative advantage'patterns,respectively.Age effects indicated an overall higher risk of MDD incidence in females,while cohort effects showed greater variations of MDD incidence among females.Conclusions The study underscores the substantial effects of age,period and cohort on MDD across genders in China.Priority interventions targeting vulnerable populations,including children,adolescents,older adults,females and the post-millennium birth cohort,are crucial to mitigate the impact of MDD.展开更多
Manipulating nonlinear excitations,including solitons and vortices,is an essential topic in quantum many-body physics.A new progress in this direction is a protocol proposed in[Phys.Rev.Res.2043256(2020)]to produce da...Manipulating nonlinear excitations,including solitons and vortices,is an essential topic in quantum many-body physics.A new progress in this direction is a protocol proposed in[Phys.Rev.Res.2043256(2020)]to produce dark solitons in a one-dimensional atomic Bose–Einstein condensate(BEC)by quenching inter-atomic interaction.Motivated by this work,we generalize the protocol to a two-dimensional BEC and investigate the generic scenario of its post-quench dynamics.For an isotropic disk trap with a hard-wall boundary,we find that successive inward-moving ring dark solitons(RDSs)can be induced from the edge,and the number of RDSs can be controlled by tuning the ratio of the after-and before-quench interaction strength across different critical values.The role of the quench played on the profiles of the density,phase,and sound velocity is also investigated.Due to the snake instability,the RDSs then become vortex–antivortex pairs with peculiar dynamics managed by the initial density and the after-quench interaction.By tuning the geometry of the box traps,demonstrated as polygonal ones,more subtle dynamics of solitons and vortices are enabled.Our proposed protocol and the discovered rich dynamical effects on nonlinear excitations can be realized in near future cold-atom experiments.展开更多
Topological magnetism with strong robustness,nanoscale dimensions and ultralow driving current density(106 A/m^(2))is promising for applications in information sensing,storage,and processing,and thus sparking widespre...Topological magnetism with strong robustness,nanoscale dimensions and ultralow driving current density(106 A/m^(2))is promising for applications in information sensing,storage,and processing,and thus sparking widespread research interest.Exploring candidate material systems with nanoscale size and easily tunable properties is a key for realizing practical topological magnetism-based spintronic devices.Here,we propose a class of ultrathin heterostructures,Fe/Bi_(2)O_(2)X(X=S,Se,Te)by deposing metal Fe on quasi-two-dimensional(2D)bismuth oxychalcogenides Bi_(2)O_(2)X(X=S,Se,Te)with excellent ferroelectric/ferroelastic properties.Large Dzyaloshinskii–Moriya interaction(DMI)and topological magnetism can be realized.Our atomistic spin dynamics simulations demonstrate that field-free vortex–antivortex loops and sub-10 nm skyrmions exist in Fe/Bi_(2)O_(2)S and Fe/Bi_(2)O_(2)Se interfaces,respectively.These results provide a possible strategy to tailor topological magnetism in ultrathin magnets/2D materials interfaces,which is extremely vital for spintronics applications.展开更多
基金financially supported by the China Geological Survey(1212011085490 and 1212011220465)the National Natural Science Foundation of China(41421002)。
文摘Identifying the crust-mantle interactions in association with the evolution of the Precambrian microcontinents provides critical constraints on the accretionary evolution in the Central Asian Orogenic Belt(CAOB).The Bainaimiao arc terrane(BAT)is one of the most important Precambrian microcontinents in southeastern CAOB,however,few studies have paid attention to the types and the evolving processes of the crust-mantle interactions that occurred before its final accretion onto the northern North China Craton.This study presents an integrated study of geochronology,zircon Hf isotope and whole-rock geochemistry on the latest Neoproterozoic diabases and the Early Paleozoic arc intrusions in the western BAT.The latest Neoproterozoic(ca.546 Ma)diabases display low SiO2(46.52-49.24 wt.%)with high MgO(8.23-14.41 wt.%),Cr(66-542 ppm)and Ni(50-129 ppm),consisting with mantle origin.Their highly negative zirconεHf(t)(-12.0 to-24.7)and high Fe/Mn ratios(62.1-81.7)further indicate a significantly enriched mantle source.Considering that the BAT maybe initially separated from the Tarim Craton with a thickened crustal root,we propose that these diabases were generated through partial melting of an enriched lithospheric mantle source that had been hybridized by lower-crustal eclogites during foundering of the BAT lower crust.The Early Paleozoic(ca.475-417 Ma)arc intrusions in western BAT can be divided into PeriodsⅠandⅡat approximately 450 Ma.The PeriodⅠ(>450 Ma)intrusions contain abundant mafic minerals like hornblende and pyroxene,and show positive zirconεHf(t)(+1.5 to+10.9).They are predominantly medium-K calc-alkaline with broad correlations of SiO2 versus various major and trace elements,which correlate well with the experimental melts produced by the fractional crystallization of primitive hydrous arc magmas at 7 kbar.We assume they were formed through mid-crustal differentiation of the mantle wedge-derived hydrous basaltic melts.By contrast,the PeriodⅡ(≤450 Ma)intrusions are characterized by variable zircon eHf(t)(-15.0 to+11.5)with irregular variations in most major and trace elements,which are more akin to the arc magmas generated in an open system.The general occurrence of elder inherited zircons,along with the relatively high Mg#(>45)of some samples,call upon a derivation from the reworking of the previously subduction-modified BAT lower crust with the input of mantle-derived mafic components.In combination with the Early Paleozoic tectonic melanges flanking western BAT,we infer that the compositional transition from PeriodⅠtoⅡcan be attributed to the tectonic transition from south-dipping subduction of Solonker ocean to north-dipping subduction of South Bainaimiao ocean in southeastern CAOB.The above results shed light not only on the latest Neoproterozoic to Early Paleozoic multiple crust-mantle interactions in western BAT,but also on the associated crustal construction processes before the final arc-continent accretion.
基金supported by the National High Technology Research and Development Project(No.2002 CB 412600 and 973-98-2002)
文摘The distribution of Neogene felsic porphyries intruding in earlier granitic batholiths was mainly controlled by north-south-tending rifting zones and normal faults. The main rock types of the felsic porphyries include granodiorite-porphyry, monzonitic granite-porphyry and quartz monzonitic porphyry. The porphyries are characterized by high SiO2 ((?)64.26%) and Al2O3 (>15% at 70% SiO2), low Y and HREE (Yb) contents, strong enrichment of LILE and LERR, especially K and ST. Geochemical features of the porphyries show distinct adakitic magma affinity. Nd, Sr and Pb isotopic compositions of the porphyries form a linear alignment from MORB to EM2, suggesting a mixing of the MORB reservoir with the metasomatized mantle reservoir. Considering also the geochemical characteristics of the porphyries and the sequence of observable structural-thermal-magmatic events at Gangdise, it is thought that the Neogene porphyries were formed by partial melting of dead subducted oceanic crust in a post-collision setting. K-enrichment in the porphyries is attributed to the interaction of slab-derived melts, i.e., adakites, with the metasomatized mantle during the ascent. There might be a delamination of residual eclogites or amphibole eclogites before the eruption of potassic lava on the Tibetan plateau since 13 Ma.
基金supported by the Land and Resources Survey Project of China (Grant Nos. 1212011120725 and 12120113072200)
文摘Latest Permian to Triassic plutons are widespread in the northern North China Craton(NCC); most of them show calc-alkaline, high-K calc-alkaline, or alkaline geochemical features. The Shadegai pluton in the Wulashan area has shoshonitic affinity and I-type character, and is composed of syenogranites containing abundant mafic microgranular enclaves(MMEs). LA-MC-ICP-MS U-Pb data yield weighted mean 206 Pb/238 U ages of 222 ± 1 Ma and 221 ± 1 Ma for the syenogranites and MMEs, respectively, suggesting their coeval formation during the Late Triassic. The syenogranites have high SiO_2(70.42-72.30 wt%),K_2O(4.58-5.22 wt.%) and Na_2O(4.19-4.43 wt.%) contents but lower concentrations of P_2O_5(0.073-0.096 wt.%) and TiO_2(0.27-0.37 wt.%), and are categorized as I-type granites, rather than A-type granites, as previously thought. These syenogranites exhibit lower(^(87)Sr/^(86)Sr)i ratios(0.70532-0.70547) and strongly negative whole-rock εNd(t) values(-12.54 to-11.86) and zircon εHf(t) values(-17.81 to-10.77),as well as old Nd(1962-2017 Ma) and Hf(2023-2092 Ma) model ages, indicating that they were derived from the lower crust.Field and petrological observations reveal that the MMEs within the pluton probably represent magmatic globules commingled with their host magmas. Geochemically, these MMEs have low SiO_2(53.46-55.91 wt.%)but high FeOt(7.27-8.79 wt.%) contents. They are enriched in light rare earth elements(LREEs) and large ion lithophile elements(LILEs), and are depleted in heavy rare earth elements(HREEs) and high field strength elements(HFSEs). They have whole-rock(^(87)Sr/^(86)Sr)i ratios varying from 0.70551 to 0.70564, εNd(t) values of -10.63 to -9.82, and zircon εHf(t) values of -9.89 to 0.19. Their geochemical and isotopic features indicate that they were derived from the subcontinental lithospheric mantle mainly metasomatized by slab-derived fluids, with minor involvement of melts generated from the ascending asthenospheric mantle. Petrology integrated with elemental and isotopic geochemistry suggest that the Shadegai pluton was produced by crust-mantle interactions, i.e., partial melting of the lower continental crust induced by underplating of mantle-derived mafic magmas(including the subcontinental lithospheric mantle and asthenospheric mantle), and subsequent mixing of the mantle-and crust-derived magmas. In combination with existing geological data, it is inferred that the Shadegai pluton formed in a post-collisional extensional regime related to lithospheric delamination following the collision between the NCC and Mongolia arc terranes.
基金Project(10872219) supported by the National Natural Science Foundation of China
文摘The finite element method was used to solve fluid dynamic interaction problems between the crust and mantle of the Earth. To consider different mechanical behaviours, the lithosphere consisting of the crust and upper mantle was simulated as fluid-saturated porous rocks, while the upper aesthenospheric part of the mantle was simulated as viscous fluids. Since the whole lithosphere was computationally simulated, the dynamic interaction between the crust and the upper mantle was appropriately considered. In particular, the mixing of mantle fluids and crustal fluids was simulated in the corresponding computational model. The related computational simulation results from an example problem demonstrate that the mantle fluids can flow into the crust and mix with the crustal fluids due to the resulting convective flows in the crust-mantle system. Likewise, the crustal fluids can also flow into the upper mantle and mix with the mantle fluids. This kind of fluids mixing and exchange is very important to the better understanding of the governing processes that control the ore body formation and mineralization in the upper crust of the Earth.
基金supported by the Chinese Ministry of Science and Techno-logy(Grant No.2015CB856102)the National Natural Science Foundation of China(Grant Nos.41125012,41221062)
文摘Plate subduction is an important mechanism for exchanging the mass and energy between the mantle and the crust,and the igneous rocks in subduction zones are the important carriers for studying the recycling of crustal materials and the crust-mantle interaction.This study presents a review of geochronology and geochemistry for postcollisional mafic igneous rocks from the Hong’an-Dabie-Sulu orogens and the southeastern edge of the North China Block.The available results indicate two types of the crust-mantle interaction in the continental subduction zone,which are represented by two types of mafic igneous rocks with distinct geochemical compositions.The first type of rocks exhibit arc-like trace element distribution patterns(i.e.enrichment of LILE,LREE and Pb,but depletion of HFSE)and enriched radiogenic Sr-Nd isotope compositions,whereas the second type of rocks show OIB-like trace element distribution patterns(i.e.enrichment of LILE and LREE,but no depletion of HFSE)and depleted radiogenic Sr-Nd isotope compositions.Both of them have variable zircon O isotope compositions,which are different from those of the normal mantle zircon,and contain residual crustal zircons.These geochemical features indicate that the two types of mafic igneous rocks were originated from the different natures of mantle sources.The mantle source for the second type of rocks would be generated by reaction of the overlying juvenile lithospheric mantle with felsic melts originated from previously subducted oceanic crust,whereas the mantle source for the first type of rocks would be generated by reaction of the overlying ancient lithospheric mantle of the North China Block with felsic melts from subsequently subducted continental crust of the South China Block.Therefore,there exist two types of the crust-mantle interaction in the continental subduction zone,and the postcollisional mafic igneous rocks provide petrological and geochemical records of the slab-mantle interactions in continental collision orogens.
基金study was co-supported by the National Natural Science Foundation of China (Nos. 90914007, 40821061, 90714010)the State Administration of Foreign Expert Affairs of China (No. B07039)+1 种基金the MOST Special Fund of State Key Laboratory of Geological Processes and Mineral Resources and State Key Laboratory of Continental Dynamicsthe Special Fund For Basic Scientific Research of Central Colleges, China University of Geosciences (Wuhan)
文摘Garnet-rich granulite xenoliths collected from the Hannuoba basalts, the North China craton (NCC), were studied to reveal the Mesozoic crnst-mantle interaction. These xenoliths are characterized by low SiO2 (37.7 wt.%-46.0 wt.%) and high Al2O3 (10.8 wt.%-17.9 wt.%) contents. Their Mg# (60-75, Mg#=100×Mg/(Mg+Fe), atomic number) are relatively low for their low SiO2 contents. They have low rare-earth element (REE) contents and LREE-rich REE patterns, and show remarkable enrichments in Sr relative to the adjacent REE. Some of them exhibit convex RISE patterns with a maximum at Nd and remarkably positive Eu anomalies. Taking into account their high garnet mode (generally 〉30%), these features suggest that they are high-pressure metamorphic products of lowpressure cumulates (e.g., gabbro) after it had been depressed into the garnet stability field. They have evolved Nd and Sr isotopic compositions (143Nd/144Nd=0.511 763-0.512 173, STSr/86Sr=0.705 34-0.706 99) and fall in the trend defined by the 〉110 Ma Mesozoic basalts and high-Mg# andesites from the NCC. Zircon U-Pb dating by LA-ICP-MS shows a wide age range from 83 to 2 581 Ma, most of which cluster in 83-134 Ma. CL images of some Mesozoic zircons from the granulites show typical features of igneous zircons, providing direct evidence for the Mesozoic underplating event in this area. Neither peridotite-derived basaltic underplating model nor residue model of ancient lower crust after lithospheric thinning alone can reasonably explain the above features of the garnet-Hch granulite xenoliths. Combined with the previous research, we propose that most of the granulite xenoliths from the Hannuoba basalts are products of the Mesozoic magmatie underplating and mixing with the pre-existing lower crust (i.e., AFC process). However, the melts could be mostly derived from partial melting of basaltic layers that were previously subducted (a fossil oceanic slab) or underplated into the base of the lithospheric mantle, or from partial melting of Archean lithospheric mantle that was variably hybridised by melts derived from foundered lower crustal edogite, although it cannot be excluded that some of the melts were derived from depleted man. tie peridotite. In other words, parent melts of most granulite xenoliths could share the same petrogenesis as the〉110 Ma Mesozoic basalts from the NCC.
基金supported by the National Basic Research Program of China(Grant No.2015CB856101)the National Natural Science Foundation of China(Grant Nos.41172070,41425012)the Ministry of Education of China and the State Administration of Foreign Expert Affairs of China(Grant No.B07039)
文摘It is proposed in the subduction channel model that the plate interface interaction is a basic mechanism for the mass and energy exchange between Earth’s surface and interior.The significant difference in composition and nature between continental lithosphere and oceanic lithosphere inevitably leads to variations in deep physical and chemical processes as well as crust-mantle interaction products in these two settings.Many studies of experimental petrology have provided constraints on the potential partial melting and crust-mantle interaction in oceanic subduction channels for silicate and carbonate rocks.The partial melts of mafic and felsic compositions are adakitic or non-adakitic granitic melts depending on melting pressure or depth.A trivial amount of CO2 can lower significantly the melting temperature of peridotites and lead to pronounced enrichment of incompatible elements in carbonate melt.The silica saturated or unsaturated melts can react with mantle-wedge peridotites in subduction channels to generate complex products.However,the existing experiments are mostly dedicated to island arc settings above oceanic subduction zones rather than dehydration melting above continental subduction zones.It is crucial to conduct high pressure and high temperature experiments to investigate all possible reactions between peridotites and crustal materials and their derivatives under the conditions responsible for the slab-mantle interface in continental subduction channels.Experimental results,combined with natural observations,are possible to elucidate the processes of metamorphic dehydration,partial melting and mantle metasomatism in continental subduction channels.
基金the financial support from the National Natural Science Foundation of China(22278070,21978047,21776046)。
文摘The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceutical formulations.In this work,a developed machine-learning model efficiently predicts the solubility of APIs in polymers by learning the phase equilibrium principle and using a few molecular descriptors.Under the few-shot learning framework,thermodynamic theory(perturbed-chain statistical associating fluid theory)was used for data augmentation,and computational chemistry was applied for molecular descriptors'screening.The results showed that the developed machine-learning model can predict the API-polymer phase diagram accurately,broaden the solubility data of APIs in polymers,and reproduce the relationship between API solubility and the interaction mechanisms between API and polymer successfully,which provided efficient guidance for the development of pharmaceutical formulations.
基金supported by the National Natural Science Foundation of China(Grant Nos.22075159,22002066)Shandong Taishan Scholars Project(Grant Nos.ts20190932,tsqn202103058)+1 种基金Open Fund of Hubei Key Laboratory of Processing and Application of Catalytic Materials(Grant No.202203404)Postdoctoral Applied Research Project in Qingdao,and the Youth Innovation Team Project of Shandong Provincial Education Department(Grant No.2019KJC023).
文摘Ruthenium(Ru)has been regarded as one of the most promising alternatives to substitute Pt for catalyzing alkaline hydrogen evolution reaction(HER),owing to its inherent high activity and being the cheapest platinum-group metal.Herein,based on the idea of strong metal–support interaction(SMSI)regulation,Ru/TiN catalysts with different degrees of TiN overlayer over Ru nanoparticles were fabricated,which were applied to the alkaline electrolytic water.Characterizations reveal that the TiN overlayer would gradually encapsulate the Ru nanoparticles and induce more electron transfer from Ru nanoparticles to TiN support by the Ru–N–Ti bond as the SMSI degree increased.Further study shows that the exposed Ru–TiN interfaces greatly promote the H_(2) desorption capacity.Thus,the Ru/TiN-300 with a moderate SMSI degree exhibits excellent HER performance,with an overpotential of 38 mV at 10 mA cm^(−2).Also,due to the encapsulation role of TiN overlayer on Ru nanoparticles,it displays super long-term stability with a very slight potential change after 24 h.This study provides a deep insight into the influence of the SMSI effect between Ru and TiN on HER and offers a novel approach for preparing efficient and stable HER electrocatalysts through SMSI engineering.
基金financial support from Project funded by National Natural Science Foundation of China(52172038,22179017)funding from Dalian University of Technology Open Fund for Large Scale Instrument Equipment
文摘Metal-organic framework(MOF)-derived carbon composites have been considered as the promising materials for energy storage.However,the construction of MOF-based composites with highly controllable mode via the liquid-liquid synthesis method has a great challenge because of the simultaneous heterogeneous nucleation on substrates and the self-nucleation of individual MOF nanocrystals in the liquid phase.Herein,we report a bidirectional electrostatic generated self-assembly strategy to achieve the precisely controlled coatings of single-layer nanoscale MOFs on a range of substrates,including carbon nanotubes(CNTs),graphene oxide(GO),MXene,layered double hydroxides(LDHs),MOFs,and SiO_(2).The obtained MOF-based nanostructured carbon composite exhibits the hierarchical porosity(V_(meso)/V_(micro)∶2.4),ultrahigh N content of 12.4 at.%and"dual electrical conductive networks."The assembled aqueous zinc-ion hybrid capacitor(ZIC)with the prepared nanocarbon composite as a cathode shows a high specific capacitance of 236 F g^(-1)at 0.5 A g^(-1),great rate performance of 98 F g^(-1)at 100 A g^(-1),and especially,an ultralong cycling stability up to 230000 cycles with the capacitance retention of 90.1%.This work develops a repeatable and general method for the controlled construction of MOF coatings on various functional substrates and further fabricates carbon composites for ZICs with ultrastability.
基金the National Natural Science Foundation of China(Grant 22022403 and 22274058)Fundamental Research Funds for the Central Universities.
文摘Ultrasmall gold nanoparticles(AuNPs)typically includes atomically precise gold nanoclusters(AuNCs)and AuNPs with a core size below 3 nm.Serving as a bridge between small molecules and traditional inorganic nanoparticles,the ultrasmall AuNPs show the unique advantages of both small molecules(e.g.,rapid distribution,renal clearance,low non-specific organ accumulation)and nanoparticles(e.g.,long blood circulation and enhanced permeability and retention effect).The emergence of ultrasmall AuNPs creates significant opportunities to address many challenges in the health field including disease diagnosis,monitoring and treatment.Since the nano–bio interaction dictates the overall biological applications of the ultrasmall AuNPs,this review elucidates the recent advances in the biological interactions and imaging of ultrasmall AuNPs.We begin with the introduction of the factors that influence the cellular interactions of ultrasmall AuNPs.We then discuss the organ interactions,especially focus on the interactions of the liver and kidneys.We further present the recent advances in the tumor interactions of ultrasmall AuNPs.In addition,the imaging performance of the ultrasmall AuNPs is summarized and discussed.Finally,we summarize this review and provide some perspective on the future research direction of the ultrasmall AuNPs,aiming to accelerate their clinical translation.
基金This study was supported by the National Water Pollution Control and Treatment Science and Technology Major Project(2017ZX07101-002).
文摘Tree interactions are essential for the structure,dynamics,and function of forest ecosystems,but variations in the architecture of life-stage interaction networks(LSINs)across forests is unclear.Here,we constructed 16 LSINs in the mountainous forests of northwest Hebei,China based on crown overlap from four mixed forests with two dominant tree species.Our results show that LSINs decrease the complexity of stand densities and basal areas due to the interaction cluster differentiation.In addition,we found that mature trees and saplings play different roles,the first acting as“hub”life stages with high connectivity and the second,as“bridges”controlling information flow with high centrality.Across the forests,life stages with higher importance showed better parameter stability within LSINs.These results reveal that the structure of tree interactions among life stages is highly related to stand variables.Our efforts contribute to the understanding of LSIN complexity and provide a basis for further research on tree interactions in complex forest communities.
基金supported by the National Natural Science Foundation of China(No.21776264).
文摘Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is investigated.By analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of 0.96.For the same salt,a positive correlation was found between CTR and the molar ratio of salt and water.For type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,respectively.The solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions.
基金supported by Russian Science Foundation(Grant No.22-73-10206,https://rscf.ru/project/22-73-10206/)。
文摘Atomistic modeling is a widely employed theoretical method of computational materials science.It has found particular utility in the study of magnetic materials.Initially,magnetic empirical interatomic potentials or spinpolarized density functional theory(DFT)served as the primary models for describing interatomic interactions in atomistic simulations of magnetic systems.Furthermore,in recent years,a new class of interatomic potentials known as magnetic machine-learning interatomic potentials(magnetic MLIPs)has emerged.These MLIPs combine the computational efficiency,in terms of CPU time,of empirical potentials with the accuracy of DFT calculations.In this review,our focus lies on providing a comprehensive summary of the interatomic interaction models developed specifically for investigating magnetic materials.We also delve into the various problem classes to which these models can be applied.Finally,we offer insights into the future prospects of interatomic interaction model development for the exploration of magnetic materials.
基金supported by the National Natural Sci-ence Foundation of China(Grant Nos.12005298,12275356,11774430,U2241281,and 12175309)Research Grant No.PID2022-137339OB-C22 of the Spanish Ministry of Education and Research+1 种基金the Natural Science Foundation of Hunan Province(Grant Nos.2021JJ40661 and 2022JJ30656)a research project of the NUDT(Contract No.ZK19-25).
文摘The Brown-Preston-Singleton(BPS)stopping power model is added to our previously developed hybrid code to model ion beam-plasma interaction.Hybrid simulations show that both resistive field and ion scattering effects are important for proton beam transport in a solid target,in which they compete with each other.When the target is not completely ionized,the self-generated resistive field effect dominates over the ion scattering effect.However,when the target is completely ionized,this situation is reversed.Moreover,it is found that Ohmic heating is important for higher current densities and materials with high resistivity.The energy fraction deposited as Ohmic heating can be as high as 20%-30%.Typical ion divergences with half-angles of about 5°-10°will modify the proton energy deposition substantially and should be taken into account.
文摘The Kandi basin is located in northeast Benin (West Africa). This study is focused on the estimation of water fluxes exchanged between the river Niger (and its tributaries) and the transboundary Iullemeden Aquifer System. In that framework, an innovative approach based on the application of the Bayesian Mixing Model (MixSIAR) analysis on water isotopes (oxygen-18, deuterium and tritium) was performed. Moreover, to assess the relevance of the model outputs, Pearson’s correlation and Principal Component Analysis (PCA) have been done. A complex relationship between surface water and groundwater has been found. Sixty percent (60%) of groundwater samples are made of more than 70% river water and rainwater;while 31.25% of surface water samples are made of about 84% groundwater. To safeguard sustainable water resources for the well-being of the local communities, surface water and groundwater must be managed as a unique component in the Kandi basin.
文摘In this work,a numerical study of the effects of soil-structure interaction(SSI)and granular material-structure interaction(GSI)on the nonlinear response and seismic capacity of flat-bottomed storage silos is conducted.A series of incremental dynamic analyses(IDA)are performed on a case of large reinforced concrete silo using 10 seismic recordings.The IDA results are given by two average IDA capacity curves,which are represented,as well as the seismic capacity of the studied structure,with and without a consideration of the SSI while accounting for the effect of GSI.These curves are used to quantify and evaluate the damage of the studied silo by utilizing two damage indices,one based on dissipated energy and the other on displacement and dissipated energy.The cumulative energy dissipation curves obtained by the average IDA capacity curves with and without SSI are presented as a function of the base shear,and these curves allow one to obtain the two critical points and the different limit states of the structure.It is observed that the SSI and GSI significantly influence the seismic response and capacity of the studied structure,particularly at higher levels of PGA.Moreover,the effect of the SSI reduces the damage index of the studied structure by 4%.
基金supported by the National Natural Science Foundation of China(grant number 82103955)the Cyrus Tang Foundation(grant number 050459)the Clinical Medicine Plus X-Young Scholars Project,Peking University,the Fundamental Research Funds for the Central Universities(grant number 7100604313).
文摘Background Major depressive disorders(MDDs)impose substantial burdens on individuals and society;however,further detailed analysis is still needed for its long-term trends.Aims This study aimed to analyse the gender-specific temporal trends and cohort variations of MDD incidence among Chinese residents over the past three decades.Methods Employing the age-period-cohort-interaction model and leveraging data from the Global Burden of Disease Study 2019,this research identified and analysed incidence trends of MDD among Chinese males and females aged 5-94 years from 1990 to 2019 across three dimensions,encompassing age,period and birth cohort.Results The analysis reveals age-related effects,indicating heightened MDD risk among adolescents and older adults.Specifically,individuals entering the older adulthood at the age of 65-69 significantly increased the risk of MDD by 64.9%.People aged 90-94 years witnesseda 105.4%increase in MDD risk for the overall population,with females and males in this age group experiencing a 75.1%and 103.4%increase,respectively.In terms of period effects,the risk of MDD displayed a decline from 1990 to 1994,followed by a rebound in 2008.Cohort effects demonstrated diverse generational patterns,with generationⅠand generationⅢmanifesting opposing‘age-as-level'trends.GenerationⅡand generationⅣexhibited'cumulative disadvantage'and'cumulative advantage'patterns,respectively.Age effects indicated an overall higher risk of MDD incidence in females,while cohort effects showed greater variations of MDD incidence among females.Conclusions The study underscores the substantial effects of age,period and cohort on MDD across genders in China.Priority interventions targeting vulnerable populations,including children,adolescents,older adults,females and the post-millennium birth cohort,are crucial to mitigate the impact of MDD.
基金Project supported by the Natural Science Foundation of Zhejiang Province of China(Grant Nos.LQ22A040006,LY21A040004,LR22A040001,and LZ21A040001)the National Natural Science Foundation of China(Grant Nos.11835011 and 12074342).
文摘Manipulating nonlinear excitations,including solitons and vortices,is an essential topic in quantum many-body physics.A new progress in this direction is a protocol proposed in[Phys.Rev.Res.2043256(2020)]to produce dark solitons in a one-dimensional atomic Bose–Einstein condensate(BEC)by quenching inter-atomic interaction.Motivated by this work,we generalize the protocol to a two-dimensional BEC and investigate the generic scenario of its post-quench dynamics.For an isotropic disk trap with a hard-wall boundary,we find that successive inward-moving ring dark solitons(RDSs)can be induced from the edge,and the number of RDSs can be controlled by tuning the ratio of the after-and before-quench interaction strength across different critical values.The role of the quench played on the profiles of the density,phase,and sound velocity is also investigated.Due to the snake instability,the RDSs then become vortex–antivortex pairs with peculiar dynamics managed by the initial density and the after-quench interaction.By tuning the geometry of the box traps,demonstrated as polygonal ones,more subtle dynamics of solitons and vortices are enabled.Our proposed protocol and the discovered rich dynamical effects on nonlinear excitations can be realized in near future cold-atom experiments.
基金the National Key Research and Development Program of China(Grant Nos.2022YFA1405100,2022YFA1403601,2020AAA0109005,and 2023YFB4502100)the“Pioneer”and“Leading Goose”R&D Program of Zhejiang Province(Grant No.2022C01053)+1 种基金the National Natural Science Foundation of China(Grant Nos.12174405,12204497,12327806,and 62074063)Shenzhen Science and Technology Program(Grant No.JCYJ20220818103410022).
文摘Topological magnetism with strong robustness,nanoscale dimensions and ultralow driving current density(106 A/m^(2))is promising for applications in information sensing,storage,and processing,and thus sparking widespread research interest.Exploring candidate material systems with nanoscale size and easily tunable properties is a key for realizing practical topological magnetism-based spintronic devices.Here,we propose a class of ultrathin heterostructures,Fe/Bi_(2)O_(2)X(X=S,Se,Te)by deposing metal Fe on quasi-two-dimensional(2D)bismuth oxychalcogenides Bi_(2)O_(2)X(X=S,Se,Te)with excellent ferroelectric/ferroelastic properties.Large Dzyaloshinskii–Moriya interaction(DMI)and topological magnetism can be realized.Our atomistic spin dynamics simulations demonstrate that field-free vortex–antivortex loops and sub-10 nm skyrmions exist in Fe/Bi_(2)O_(2)S and Fe/Bi_(2)O_(2)Se interfaces,respectively.These results provide a possible strategy to tailor topological magnetism in ultrathin magnets/2D materials interfaces,which is extremely vital for spintronics applications.