The interface mechanical behavior of a monopile is an important component of the overall offshore wind turbine structure design.Understanding the soil-structure interaction,particularly the initial soil-structure stif...The interface mechanical behavior of a monopile is an important component of the overall offshore wind turbine structure design.Understanding the soil-structure interaction,particularly the initial soil-structure stiffness,has a significant impact on the study of natural frequency and dynamic response of the monopile.In this paper,a simplified method for estimating the interface mechanical behavior of monopiles under initial lateral loads is proposed.Depending on the principle of minimum potential energy and virtual work theory,the functions of soil reaction components at the interface of monopiles are derived;MATLAB programming has been used to simplify the functions of the initial stiffness by fitting a large number of examples;then the functions are validated against the field test data and FDM results.This method can modify the modulus of the subgrade reaction in the p-y curve method for the monopile-supported offshore wind turbine system.展开更多
The interaction between pile and soft soil of the passive pile group subjected to soil movement was analyzed with three-dimensional finite element model by using ANSYS software. The soil was assumed to be elastic-plas...The interaction between pile and soft soil of the passive pile group subjected to soil movement was analyzed with three-dimensional finite element model by using ANSYS software. The soil was assumed to be elastic-plastic complying with the Drucker-Prager yield criterion in the analysis. The large displacement of soil was considered and contact elements were used to evaluate the interaction between pile and soil. The influences of soil depth of layer and number of piles on the lateral pressure of the pile were investigated, and the lateral pressure distributions on the (2×1) pile group and on the (2×2) pile group were compared. The results show that the adjacent surcharge may result in significant lateral movement of the soft soil and considerable pressure on the pile. The pressure acting on the row near the surcharge is higher than that on the other row, due to the "barrier" and arching effects in pile groups. The passive load and its distribution should be taken into account in the design of the passive piles.展开更多
A simplified approach was proposed to analyze the negative skin friction calculation of special-shaped pile considering pile-soil interaction under surcharge. Based on the concentric cylinder shearing theory, consider...A simplified approach was proposed to analyze the negative skin friction calculation of special-shaped pile considering pile-soil interaction under surcharge. Based on the concentric cylinder shearing theory, considering the changes of pile shape(such as, taper angle and diameters of pile base, etc.), the load-transfer of special-shaped pile was built. The accuracy of the developed simplified approach was verified by numerical simulation model with the same condition. Then, the influence factors, such as, taper angles, the diameter of pile base, surcharge, and pile-soil interface parameters were analyzed and discussed. The results show that the developed simplified approach can calculate NSF of special-shaped pile under surcharge effectively. A limited parametric study indicates that in many practical situations special-shaped piles(such as belled wedge pile shown in this work) offer a design option that is more economical than traditional uniform cross-section piles.展开更多
In this paper, several mathmatical models for the pile- soil interaction are outlined. The Boundary Element Method is one of the very effective methods for the reasonable models of elasticity and elastoplasticity. The...In this paper, several mathmatical models for the pile- soil interaction are outlined. The Boundary Element Method is one of the very effective methods for the reasonable models of elasticity and elastoplasticity. The major of this paper is concerned with the Boundary Element Method for the pile-soil interaction, including general methods and calculating formulation of static and dynamic analysis of the pile and pile groups. Some results of analysis are also given.展开更多
This paper proposes an optimum design model for the offshore jacket platform considering multidesign criteria, multi-design constraints and the structure-pile-soil interaction, and gives an optimum design procedure in...This paper proposes an optimum design model for the offshore jacket platform considering multidesign criteria, multi-design constraints and the structure-pile-soil interaction, and gives an optimum design procedure in which the proposed optimum design model is used together with structural analysis software SAP91 and optimum algorithm software OPB1. The Chengbei (#)11 offshore platform, which lies in the Shengli oilfield, is designed by use of the above optimum design model. The results show that the optimum design model is stable, and it depends on neither the optimization algorithm nor initial values of design variables. All values of the objective function converge to the same minimum value, and the speed of convergence is high, showing that the proposed optimum design model is reasonable.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
Considering the large diameter effect of piles,the influence of different pile-soil analysis methods on the design of monopile foundations for offshore wind turbines has become an urgent problem to be solved.Three dif...Considering the large diameter effect of piles,the influence of different pile-soil analysis methods on the design of monopile foundations for offshore wind turbines has become an urgent problem to be solved.Three different pile-soil models were used to study a large 10 MW monopile wind turbine.By modeling the three models in the SACS software,this paper analyzed the motion response of the overall structure under the conditions of wind and waves.According to the given working conditions,this paper concludes that under the condition of independent wind,the average value of the tower top x-displacement of the rigid connection method is the smalle st,and the standard deviation is the smallest under the condition of independent wave.The results obtained by the p-y curve method are the most conservative.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
In the article “Newtons Law of Universal Gravitation Explained by the Theory of Informatons” the gravitational interaction between mass particles at rest has been explained by the hypothesis that g-information carri...In the article “Newtons Law of Universal Gravitation Explained by the Theory of Informatons” the gravitational interaction between mass particles at rest has been explained by the hypothesis that g-information carried by informatons is the substance of the medium that the interaction in question makes possible. It has been showed that, on the macroscopic level, that medium—the “gravitational field”—manifests itself as the vector field Eg. In this article we will deduce from the postulate of the emission of informatons, that the informatons emitted by a moving mass particle carry not only information about the position (g-information) but also about the velocity (“β-information”) of their emitter. It follows that the gravitational field of a moving mass particle is a dual entity always having a field- and an induction-component (Egand Bg) simultaneously created by their common sources: time-variable masses and mass flows and that the gravitational interaction is the effect of the fact that an object in a gravitational field always tends to become “blind” for that field by accelerating according to a Lorentz-like law.展开更多
基金financially supported by the National Natural Science Foundation of China(Grant Nos.52201324,52078128,and52278355)the Natural Science Foundation of the Jiangsu Higher Education Institution of China(Grant No.22KJB560015)the Postgraduate Research&Practice Innovation Program of Jiangsu Province(Grant No.SJCX21_1794)。
文摘The interface mechanical behavior of a monopile is an important component of the overall offshore wind turbine structure design.Understanding the soil-structure interaction,particularly the initial soil-structure stiffness,has a significant impact on the study of natural frequency and dynamic response of the monopile.In this paper,a simplified method for estimating the interface mechanical behavior of monopiles under initial lateral loads is proposed.Depending on the principle of minimum potential energy and virtual work theory,the functions of soil reaction components at the interface of monopiles are derived;MATLAB programming has been used to simplify the functions of the initial stiffness by fitting a large number of examples;then the functions are validated against the field test data and FDM results.This method can modify the modulus of the subgrade reaction in the p-y curve method for the monopile-supported offshore wind turbine system.
基金Project(50378036) supported by the National Natural Science Foundation of China
文摘The interaction between pile and soft soil of the passive pile group subjected to soil movement was analyzed with three-dimensional finite element model by using ANSYS software. The soil was assumed to be elastic-plastic complying with the Drucker-Prager yield criterion in the analysis. The large displacement of soil was considered and contact elements were used to evaluate the interaction between pile and soil. The influences of soil depth of layer and number of piles on the lateral pressure of the pile were investigated, and the lateral pressure distributions on the (2×1) pile group and on the (2×2) pile group were compared. The results show that the adjacent surcharge may result in significant lateral movement of the soft soil and considerable pressure on the pile. The pressure acting on the row near the surcharge is higher than that on the other row, due to the "barrier" and arching effects in pile groups. The passive load and its distribution should be taken into account in the design of the passive piles.
基金Projects(51278170,U1134207)supported by the National Natural Science Foundation of ChinaProject(B13024)supported by the Program of Introducing Talents of Discipline to Universities,China
文摘A simplified approach was proposed to analyze the negative skin friction calculation of special-shaped pile considering pile-soil interaction under surcharge. Based on the concentric cylinder shearing theory, considering the changes of pile shape(such as, taper angle and diameters of pile base, etc.), the load-transfer of special-shaped pile was built. The accuracy of the developed simplified approach was verified by numerical simulation model with the same condition. Then, the influence factors, such as, taper angles, the diameter of pile base, surcharge, and pile-soil interface parameters were analyzed and discussed. The results show that the developed simplified approach can calculate NSF of special-shaped pile under surcharge effectively. A limited parametric study indicates that in many practical situations special-shaped piles(such as belled wedge pile shown in this work) offer a design option that is more economical than traditional uniform cross-section piles.
文摘In this paper, several mathmatical models for the pile- soil interaction are outlined. The Boundary Element Method is one of the very effective methods for the reasonable models of elasticity and elastoplasticity. The major of this paper is concerned with the Boundary Element Method for the pile-soil interaction, including general methods and calculating formulation of static and dynamic analysis of the pile and pile groups. Some results of analysis are also given.
基金National Natural Science Foundation of China(Grant No.59895410)
文摘This paper proposes an optimum design model for the offshore jacket platform considering multidesign criteria, multi-design constraints and the structure-pile-soil interaction, and gives an optimum design procedure in which the proposed optimum design model is used together with structural analysis software SAP91 and optimum algorithm software OPB1. The Chengbei (#)11 offshore platform, which lies in the Shengli oilfield, is designed by use of the above optimum design model. The results show that the optimum design model is stable, and it depends on neither the optimization algorithm nor initial values of design variables. All values of the objective function converge to the same minimum value, and the speed of convergence is high, showing that the proposed optimum design model is reasonable.
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financially supported by the Open Research Fund of Hunan Provincial Key Laboratory of Key Technology on Hydropower Development (Grant No.PKLHD202003)the National Natural Science Foundation of China (Grant Nos.52071058 and 51939002)+1 种基金the National Natural Science Foundation of Liaoning Province (Grant No.2022-KF-18-01)Fundamental Research Funds for the Central University (Grant No.DUT20ZD219)。
文摘Considering the large diameter effect of piles,the influence of different pile-soil analysis methods on the design of monopile foundations for offshore wind turbines has become an urgent problem to be solved.Three different pile-soil models were used to study a large 10 MW monopile wind turbine.By modeling the three models in the SACS software,this paper analyzed the motion response of the overall structure under the conditions of wind and waves.According to the given working conditions,this paper concludes that under the condition of independent wind,the average value of the tower top x-displacement of the rigid connection method is the smalle st,and the standard deviation is the smallest under the condition of independent wave.The results obtained by the p-y curve method are the most conservative.
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.
文摘In the article “Newtons Law of Universal Gravitation Explained by the Theory of Informatons” the gravitational interaction between mass particles at rest has been explained by the hypothesis that g-information carried by informatons is the substance of the medium that the interaction in question makes possible. It has been showed that, on the macroscopic level, that medium—the “gravitational field”—manifests itself as the vector field Eg. In this article we will deduce from the postulate of the emission of informatons, that the informatons emitted by a moving mass particle carry not only information about the position (g-information) but also about the velocity (“β-information”) of their emitter. It follows that the gravitational field of a moving mass particle is a dual entity always having a field- and an induction-component (Egand Bg) simultaneously created by their common sources: time-variable masses and mass flows and that the gravitational interaction is the effect of the fact that an object in a gravitational field always tends to become “blind” for that field by accelerating according to a Lorentz-like law.