An Updated Coupled Model for Land-Atmosphere Interaction.Part II:Simulations of Biological Processes

In Part I, the authors succeeded in coupling the spectral atmospheric model （SAMIL_R42L9） developed at the State Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics, Institute of Atmospheric Physics, Chinese Academy of Sciences （LASG/IAP/CAS） with the land surface model, Atmosphere-Vegetation-Interaction-Model （AVIM） and analyzed the climate basic state and land surface physical fluxes simulated by R42_AVIM. In this Part Ⅱ, we further evaluate the simulated results of the biological processes, including leaf area index （LAI）, biomass and net primary productivity （NPP） etc. Results indicate that R42_AVIM can simulate the global distribution of LAI and has good consistency with the monthly mean LAI provided by Max Planck Institute for Meteorology. The simulated biomass corresponds reasonably to the vegetation classifications. In addition, the simulated annual mean NPP has a consistent distribution with the data provided by IGBP and MODIS, and compares well with the work in literature. This land-atmosphere coupled model will offer a new experiment tool for the research on the two-way interaction between climate and biosphere, and the global terrestrial ecosystem carbon cycle.

Electrostatic Interaction-directed Construction of Hierarchical Nanostructured Carbon Composite with Dual Electrical Conductive Networks for Zinc-ion Hybrid Capacitors with Ultrastability

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.

Biological Interaction and Imaging of Ultrasmall Gold Nanoparticles

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.

Spin wave resonance frequency in bilayer ferromagnetic films with the biquadratic exchange interaction

The dependences of spin wave resonance(SWR)frequency on the surface anisotropy field,interface exchange coupling,symmetry,biquadratic exchange(BQE)interaction,film thickness,and the external magnetic field in bilayer ferromagnetic films are theoretically analyzed by employing the linear spin wave approximation and Green’s function method.A remarkable increase of SWR frequency,except for energetically lower two modes,can be obtained in our model that takes the BQE interaction into account.Again,the effect of the external magnetic field on SWR frequency can be increased by increasing the biquadratic to interlayer exchange ratio.It has been identified that the BQE interaction is of utmost importance in improving the SWR frequency of the bilayer ferromagnetic films.In addition,for bilayer ferromagnetic films,the frequency gap between the energetically highest mode and lowest mode is found to increase by increasing the biquadratic to interlayer exchange ratio and film thickness and destroying the symmetry of the system.These results can be used to improve the understanding of magnetic properties in bilayer ferromagnetic films and thus may have prominent implications for future magnetic devices.

Study of the Relationship Between New Ionic Interaction Parameters and Salt Solubility in Electrolyte Solutions Based on Molecular Dynamics Simulation

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.

Numerical investigation of the effects of soil-structure and granular material-structure interaction on the seismic response of a flat-bottom reinforced concrete silo

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%.

T cell interactions with microglia in immune-inflammatory processes of ischemic stroke

The primary mechanism of secondary injury after cerebral ischemia may be the brain inflammation that emerges after an ischemic stroke,which promotes neuronal death and inhibits nerve tissue regeneration.As the first immune cells to be activated after an ischemic stroke,microglia play an important immunomodulatory role in the progression of the condition.After an ischemic stroke,peripheral blood immune cells(mainly T cells)are recruited to the central nervous system by chemokines secreted by immune cells in the brain,where they interact with central nervous system cells(mainly microglia)to trigger a secondary neuroimmune response.This review summarizes the interactions between T cells and microglia in the immune-inflammatory processes of ischemic stroke.We found that,during ischemic stroke,T cells and microglia demonstrate a more pronounced synergistic effect.Th1,Th17,and M1 microglia can co-secrete proinflammatory factors,such as interferon-γ,tumor necrosis factor-α,and interleukin-1β,to promote neuroinflammation and exacerbate brain injury.Th2,Treg,and M2 microglia jointly secrete anti-inflammatory factors,such as interleukin-4,interleukin-10,and transforming growth factor-β,to inhibit the progression of neuroinflammation,as well as growth factors such as brain-derived neurotrophic factor to promote nerve regeneration and repair brain injury.Immune interactions between microglia and T cells influence the direction of the subsequent neuroinflammation,which in turn determines the prognosis of ischemic stroke patients.Clinical trials have been conducted on the ways to modulate the interactions between T cells and microglia toward anti-inflammatory communication using the immunosuppressant fingolimod or overdosing with Treg cells to promote neural tissue repair and reduce the damage caused by ischemic stroke.However,such studies have been relatively infrequent,and clinical experience is still insufficient.In summary,in ischemic stroke,T cell subsets and activated microglia act synergistically to regulate inflammatory progression,mainly by secreting inflammatory factors.In the future,a key research direction for ischemic stroke treatment could be rooted in the enhancement of anti-inflammatory factor secretion by promoting the generation of Th2 and Treg cells,along with the activation of M2-type microglia.These approaches may alleviate neuroinflammation and facilitate the repair of neural tissues.

Molecular dynamics simulations on the interactions between nucleic acids and a phospholipid bilayer

Recently,lipid nanoparticles(LNPs)have been extensively investigated as non-viral carriers of nucleic acid vaccines due to their high transport efficiency,safety,and straightforward production and scalability.However,the molecular mechanism underlying the interactions between nucleic acids and phospholipid bilayers within LNPs remains elusive.In this study,we employed the all-atom molecular dynamics simulation to investigate the interactions between single-stranded nucleic acids and a phospholipid bilayer.Our findings revealed that hydrophilic bases,specifically G in single-stranded RNA(ssRNA)and single-stranded DNA(ssDNA),displayed a higher propensity to form hydrogen bonds with phospholipid head groups.Notably,ssRNA exhibited stronger binding energy than ssDNA.Furthermore,divalent ions,particularly Ca2+,facilitated the binding of ssRNA to phospholipids due to their higher binding energy and lower dissociation rate from phospholipids.Overall,our study provides valuable insights into the molecular mechanisms underlying nucleic acidphospholipid interactions,with potential implications for the nucleic acids in biotherapies,particularly in the context of lipid carriers.

Ecological network analysis reveals complex responses of tree species life stage interactions to stand variables

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.

Dzyaloshinskii–Moriya interaction and field-free sub-10 nm topological magnetism in Fe/bismuth oxychalcogenides heterostructures

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.

Bioinspired Multifunctional Self-Sensing Actuated Gradient Hydrogel for Soft-Hard Robot Remote Interaction

The development of bioinspired gradient hydrogels with self-sensing actuated capabilities for remote interaction with soft-hard robots remains a challenging endeavor. Here, we propose a novel multifunctional self-sensing actuated gradient hydrogel that combines ultrafast actuation and high sensitivity for remote interaction with robotic hand. The gradient network structure, achieved through a wettability difference method involving the rapid precipitation of MoO_(2) nanosheets, introduces hydrophilic disparities between two sides within hydrogel. This distinctive approach bestows the hydrogel with ultrafast thermo-responsive actuation(21° s^(-1)) and enhanced photothermal efficiency(increase by 3.7 ℃ s^(-1) under 808 nm near-infrared). Moreover, the local cross-linking of sodium alginate with Ca^(2+) endows the hydrogel with programmable deformability and information display capabilities. Additionally, the hydrogel exhibits high sensitivity(gauge factor 3.94 within a wide strain range of 600%), fast response times(140 ms) and good cycling stability. Leveraging these exceptional properties, we incorporate the hydrogel into various soft actuators, including soft gripper, artificial iris, and bioinspired jellyfish, as well as wearable electronics capable of precise human motion and physiological signal detection. Furthermore, through the synergistic combination of remarkable actuation and sensitivity, we realize a self-sensing touch bioinspired tongue. Notably, by employing quantitative analysis of actuation-sensing, we realize remote interaction between soft-hard robot via the Internet of Things. The multifunctional self-sensing actuated gradient hydrogel presented in this study provides a new insight for advanced somatosensory materials, self-feedback intelligent soft robots and human–machine interactions.

Silica-modified Pt/TiO_(2) catalysts with tunable suppression of strong metal-support interaction for cinnamaldehyde hydrogenation

Tuning Strong Metal-support Interactions(SMSI)is a key strategy to obtain highly active catalysts,but conventional methods usually enable TiO_(x) encapsulation of noble metal components to minimize the exposure of noble metals.This study demonstrates a catalyst preparation method to modulate a weak encapsulation of Pt metal nanoparticles(NPs)with the supported TiO_(2),achieving the moderate suppression of SMSI effects.The introduction of silica inhibits this encapsulation,as reflected in the characterization results such as XPS and HRTEM,while the Ti^(4+) to Ti^(3+) conversion due to SMSI can still be found on the support surface.Furthermore,the hydrogenation of cinnamaldehyde(CAL)as a probe reaction revealed that once this encapsulation behavior was suppressed,the adsorption capacity of the catalyst for small molecules like H_(2) and CO was enhanced,which thereby improved the catalytic activity and facilitated the hydrogenation of CAL.Meanwhile,the introduction of SiO_(2) also changed the surface structure of the catalyst,which inhibited the occurrence of the acetal reaction and improved the conversion efficiency of C=O and C=C hydrogenation.Systematic manipulation of SMSI formation and its consequence on the performance in catalytic hydrogenation reactions are discussed.

Dynamical nonlinear excitations induced by interaction quench in a two-dimensional box-trapped Bose-Einstein condensate

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.

FLOCKING OF A THERMODYNAMIC CUCKER-SMALE MODEL WITH LOCAL VELOCITY INTERACTIONS

In this paper, we study the flocking behavior of a thermodynamic Cucker–Smale model with local velocity interactions. Using the spectral gap of a connected stochastic matrix, together with an elaborate estimate on perturbations of a linearized system, we provide a sufficient framework in terms of initial data and model parameters to guarantee flocking. Moreover, it is shown that the system achieves a consensus at an exponential rate.

Machine learning with active pharmaceutical ingredient/polymer interaction mechanism:Prediction for complex phase behaviors of pharmaceuticals and formulations

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.

Effect of the sloping seabed on 3D soil-spudcan interaction using a material point-finite element(MPM-FEM)model

The sloping seabed affects the bearing capacity and failure mechanism of soil,which may compromise the stability and safety of offshore structures such as jack-up platforms.This paper employs a coupled model combining the material point method and finite element method(MPM-FEM)to analyze the impact of sloping seabeds on the three-dimensional soil-spudcan interaction.The MPM-FEM model implements the B¯approach to solve the challenge of volumetric locking due to the incompressibility constraints imposed by yield criterion.It is validated against the centrifuge results.The effects of sloping seabeds on penetration resistance,soil flow pattern,lateral response,stress distribution,and failure mechanism are discussed.The soil mainly undergoes overall failure when the ratio of penetration depth to spudcan diameter(i.e.D P/D)is between 0 and 0.25.As the slope angle increases,the soil on the side of lower slope is expelled further,resulting in an asymmetric stress distribution and a larger horizontal sliding force of soil.When D P/D increases to 0.75,the soil transitions to localized plastic flow failure,and the range of soil flow affected by the spudcan penetration decreases.The results show that,when the slope angle increases,the lateral displacement and stress distribution on the lower slope of a sloping seabed is significantly larger than that of a horizontal seabed,impacting the spudcan and surrounding soil behavior.The study suggests that the seabed slope significantly affects the range of soil flow and failure at shallow penetration,indicating that the slope angle should be taken into account in the design and installation of offshore jack-up rigs,particularly in areas with sloping seabeds.

Strong metal–support interaction boosts the electrocatalytic hydrogen evolution capability of Ru nanoparticles supported on titanium nitride

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.

Effect of electron-electron interaction on polarization process of exciton and biexciton in conjugated polymer

By using one-dimensional tight-binding model modified to include electron-electric field interaction and electron-electron interaction,we theoretically explore the polarization process of exciton and biexciton in cis-polyacetylene.The dynamical simulation is performed by adopting the non-adiabatic evolution approach.The results show that under the effect of moderate electric field,when the strength of electron-electron interaction is weak,the singlet exciton is stable but its polarization presents obvious oscillation.With the enhancement of interaction,it is dissociated into polaron pairs,the spin-flip of which can be observed through modulating the interaction strength.For the triplet exciton,the strong electron-electron interaction restrains its normal polarization,but it is still stable.In the case of biexciton,the strong electron-electron interaction not only dissociate it,but also flip its charge distribution.The yield of the possible states formed after the dissociation of exciton and biexciton is also calculated.

Study on the tunnel shape and soil-lining interaction influencing the lining behavior under seismic loading

The response of tunnels subjected to seismic loading is a complex mechanism and depends not only on the seismic nature but also on tunnel structure and surrounding soil properties.The individual behavior of circular,rectangular,and sub-rectangular tunnels subjected to seismic loadings has already been studied in the literature.In the present research,two case scenarios of circular,rectangular tunnels and four sub-rectangular shaped tunnels,with similar cross-section areas,were adopted to perform a comprehensive numerical investigation.The purpose of the study was to determine the mechanical behavior of tunnels of different shapes,depending upon seismic conditions.Analyses were performed by considering the influence of soil-lining interaction,soil parameters,and lining thickness,as well as lining rigidity.Computations were performed for no-slip and full-slip conditions.The results indicate that the tunnel shape design is of great importance when regarding the mechanical behavior of the surrounding soil.This concerns no-slip as well as full-slip soil-lining interaction,especially when the lining is subjected to seismic loading.Moreover,it is shown that changes in incremental bending moments for circular,rectangular and sub-rectangular tunnels that depend upon the soil-lining interaction conditions differ significantly.

Comparison between seismic analysis of twisting and regular 52-story towers considering soil-structure interaction

A dynamic analysis of both twisting and regular towers is carried out to determine the results of considering soil-structure interaction(SSI)on high-rise buildings.In addition,the difference between the seismic performance of using twisting towers over regular ones is investigated.The twisting tower is a simulation of the Evolution Tower(Moscow).The towers’skeletons consist of RC elements and rest on a reinforced concrete piled-raft foundation.The soil model is considered as multi-layered with the same soil properties as the zone chosen for the analysis(New Mansoura City,Egypt).The only difference between both towers is their shape in elevation.The whole system is modelled and analyzed in a single step as one full 3D model,which is known as the direct approach in SSI.All analyses are carried out using finite-element software(Midas GTS NX).Dynamic output responses due to three records of seismic loads are proposed and presented in some graphs.Based on the results,it is concluded that SSI has a considerable effect on the dynamic response of tall buildings mainly because of the foundation flexibility,as it leads to lengthening the vibration period,increasing the story drift and the base shear for both cases.