The recent discovery of type-Ⅶboron-carbon clathrates with calculated superconducting transition temperatures approaching~100 K has sparked interest in exploring new conventional superconductors that may be stabilize...The recent discovery of type-Ⅶboron-carbon clathrates with calculated superconducting transition temperatures approaching~100 K has sparked interest in exploring new conventional superconductors that may be stabilized at ambient pressure.The electronic structure of the clathrate is highly tunable based on the ability to substitute different metal atoms within the cages,which may also be large enough to host small molecules.Here we introduce molecular hydrogen(H_(2))within the clathrate cages and investigate its impact on electron-phonon coupling interactions and the superconducting transition temperature(T_(c)).Our approach involves combining molecular hydrogen with the new diamond-like covalent framework,resulting in a hydrogen-encapsulated clathrate,(H_(2))B_(3)C_(3).A notable characteristic of(H_(2))B_(3)C_(3)is the dynamic behavior of the H_(2)molecules,which exhibit nearly free rotations within the B-C cages,resulting in a dynamic structure that remains cubic on average.The static structure of(H_(2))B_(3)C_(3)(a snapshot in its dynamic trajectory)is calculated to be dynamically stable at ambient and low pressures.Topological analysis of the electron density reveals weak van der Waals interactions between molecular hydrogen and the B-C cages,marginally influencing the electronic structure of the material.The electron count and electronic structure calculations indicate that(H_(2))B_(3)C_(3)is a hole conductor,in which H_(2)molecules donate a portion of their valence electron density to the metallic cage framework.Electron-phonon coupling calculation using the Migdal-Eliashberg theory predicts that(H_(2))B_(3)C_(3)possesses a T_(c) of 46 K under ambient pressure.These results indicate potential for additional light-element substitutions within the type-Ⅶclathrate framework and suggest the possibility of molecular hydrogen as a new approach to optimizing the electronic structures of this new class of superconducting materials.展开更多
We design dynamical Casimir arrays(DCA)consisting of giant atoms and coupled resonator waveguides(CRWs)to investigate the Einstein–Podolsky–Rosen(EPR)steering at finite temperatures.Our designed system exhibits an a...We design dynamical Casimir arrays(DCA)consisting of giant atoms and coupled resonator waveguides(CRWs)to investigate the Einstein–Podolsky–Rosen(EPR)steering at finite temperatures.Our designed system exhibits an asymmetry in its structure,which is caused by the differences in the sizes and the coupling positions of the giant atoms.The system achieves different types of EPR steering and the reversal of one-way EPR steering by modulating parameters.Furthermore,the symmetry and asymmetry of the system structure,in their responses to parameter modulation,both reveal the asymmetry of EPR steering.In this process,we discover that with the increase in temperature,different types of steering can be transferred from Casimir photons to giant atoms.We also achieve the monogamy of the multipartite system.These results provide important assistance for secure quantum communication,and further intuitively validating the asymmetry of EPR steering from multiple perspectives.展开更多
Identifying critical nodes or sets in large-scale networks is a fundamental scientific problem and one of the key research directions in the fields of data mining and network science when implementing network attacks,...Identifying critical nodes or sets in large-scale networks is a fundamental scientific problem and one of the key research directions in the fields of data mining and network science when implementing network attacks, defense, repair and control.Traditional methods usually begin from the centrality, node location or the impact on the largest connected component after node destruction, mainly based on the network structure.However, these algorithms do not consider network state changes.We applied a model that combines a random connectivity matrix and minimal low-dimensional structures to represent network connectivity.By using mean field theory and information entropy to calculate node activity,we calculated the overlap between the random parts and fixed low-dimensional parts to quantify the influence of node impact on network state changes and ranked them by importance.We applied this algorithm and the proposed importance algorithm to the overall analysis and stratified analysis of the C.elegans neural network.We observed a change in the critical entropy of the network state and by utilizing the proposed method we can calculate the nodes that indirectly affect muscle cells through neural layers.展开更多
In many engineering networks, only a part of target state variables are required to be estimated.On the other hand,multi-layer complex network exists widely in practical situations.In this paper, the state estimation ...In many engineering networks, only a part of target state variables are required to be estimated.On the other hand,multi-layer complex network exists widely in practical situations.In this paper, the state estimation of target state variables in multi-layer complex dynamical networks with nonlinear node dynamics is studied.A suitable functional state observer is constructed with the limited measurement.The parameters of the designed functional observer are obtained from the algebraic method and the stability of the functional observer is proven by the Lyapunov theorem.Some necessary conditions that need to be satisfied for the design of the functional state observer are obtained.Different from previous studies, in the multi-layer complex dynamical network with nonlinear node dynamics, the proposed method can estimate the state of target variables on some layers directly instead of estimating all the individual states.Thus, it can greatly reduce the placement of observers and computational cost.Numerical simulations with the three-layer complex dynamical network composed of three-dimensional nonlinear dynamical nodes are developed to verify the effectiveness of the method.展开更多
This paper delves into the dynamical analysis,chaos control,Mittag–Leffler boundedness(MLB),and forecasting a fractional-order financial risk(FOFR)system through an absolute function term.To this end,the FOFR system ...This paper delves into the dynamical analysis,chaos control,Mittag–Leffler boundedness(MLB),and forecasting a fractional-order financial risk(FOFR)system through an absolute function term.To this end,the FOFR system is first proposed,and the adomian decomposition method(ADM)is employed to resolve this fractional-order system.The stability of equilibrium points and the corresponding control schemes are assessed,and several classical tools such as Lyapunov exponents(LE),bifurcation diagrams,complexity analysis(CA),and 0–1 test are further extended to analyze the dynamical behaviors of FOFR.Then the global Mittag–Leffler attractive set(MLAS)and Mittag–Leffler positive invariant set(MLPIS)for the proposed financial risk(FR)system are discussed.Finally,a proficient reservoir-computing(RC)method is applied to forecast the temporal evolution of the complex dynamics for the proposed system,and some simulations are carried out to show the effectiveness and feasibility of the present scheme.展开更多
We investigate the non-Hermitian effects on quantum diffusion in a kicked rotor model where the complex kicking potential is quasi-periodically modulated in the time domain.The synthetic space with arbitrary dimension...We investigate the non-Hermitian effects on quantum diffusion in a kicked rotor model where the complex kicking potential is quasi-periodically modulated in the time domain.The synthetic space with arbitrary dimension can be created by incorporating incommensurate frequencies in the quasi-periodical modulation.In the Hermitian case,strong kicking induces the chaotic diffusion in the four-dimension momentum space characterized by linear growth of mean energy.We find that the quantum coherence in deep non-Hermitian regime can effectively suppress the chaotic diffusion and hence result in the emergence of dynamical localization.Moreover,the extent of dynamical localization is dramatically enhanced by increasing the non-Hermitian parameter.Interestingly,the quasi-energies become complex when the non-Hermitian parameter exceeds a certain threshold value.The quantum state will finally evolve to a quasi-eigenstate for which the imaginary part of its quasi-energy is large most.The exponential localization length decreases with the increase of the non-Hermitian parameter,unveiling the underlying mechanism of the enhancement of the dynamical localization by nonHermiticity.展开更多
The structural transformation from a liquid into a crystalline solid is an important subject in condensed matter physics and materials science. In the present study, first-principles molecular dynamics calculations ar...The structural transformation from a liquid into a crystalline solid is an important subject in condensed matter physics and materials science. In the present study, first-principles molecular dynamics calculations are performed to investigate the structure and properties of aluminum during the solidification which is induced by cooling and compression. In the cooling process and compression process, it is found that the icosahedral short-range order is initially enhanced and then begin to decay, the face-centered cubic short-range order eventually becomes dominant before it transforms into a crystalline solid.展开更多
Dynamical decoupling(DD)is normally ineffective when applied to DC measurement.In its straightforward implementation,DD nulls out DC signal as well while suppressing noise.This work proposes a phase relay method that ...Dynamical decoupling(DD)is normally ineffective when applied to DC measurement.In its straightforward implementation,DD nulls out DC signal as well while suppressing noise.This work proposes a phase relay method that is capable of continuously interrogating the DC signal over many DD cycles.We illustrate its efficacy when applied to the measurement of a weak DC magnetic field with an atomic spinor Bose-Einstein condensate.Sensitivities approaching standard quantum limit or Heisenberg limit are potentially realizable for a coherent spin state or a squeezed spin state of 10000 atoms,respectively,while ambient laboratory level noise is suppressed by DD.Our work offers a practical approach to mitigate the limitations of DD to DC measurement and would find other applications for resorting coherence in quantum sensing and quantum information processing research.展开更多
We present a large deviation theory that characterizes the exponential estimate for rare events in stochastic dynamical systems in the limit of weak noise.We aim to consider a next-to-leading-order approximation for m...We present a large deviation theory that characterizes the exponential estimate for rare events in stochastic dynamical systems in the limit of weak noise.We aim to consider a next-to-leading-order approximation for more accurate calculation of the mean exit time by computing large deviation prefactors with the aid of machine learning.More specifically,we design a neural network framework to compute quasipotential,most probable paths and prefactors based on the orthogonal decomposition of a vector field.We corroborate the higher effectiveness and accuracy of our algorithm with two toy models.Numerical experiments demonstrate its powerful functionality in exploring the internal mechanism of rare events triggered by weak random fluctuations.展开更多
Eukaryotic deoxyribonucleic acid(DNA)is wrapped around histone octamers(HOs)to form nucleosome core particles(NCPs),which in turn interact with linker DNA and linker histones to assemble chromatin fibers with more com...Eukaryotic deoxyribonucleic acid(DNA)is wrapped around histone octamers(HOs)to form nucleosome core particles(NCPs),which in turn interact with linker DNA and linker histones to assemble chromatin fibers with more complex,high-order structures.The molecular properties of chromatin are dynamically regulated by several factors,such as post-translational modifications and effector proteins,to maintain genome stability.In the past two decades,high-resolution techniques have led to many breakthroughs in understanding the molecular mechanisms that govern chromatin regulation.Nuclear magnetic resonance(NMR)has emerged as one of the major techniques in this field,providing new insights into the nucleosomes and nucleosome-protein complexes in different states ranging from soluble form to condensed states.Solution-state NMR has proven valuable in elucidating the conformational dynamics and molecular interactions for histone N-terminal tails,histone core regions and DNA with the combination of specific isotopic labeling.Solid-state NMR,which is not constrained by the high molecular weights of complexes like nucleosomes,has been applied to capture the structural and dynamical characteristics of both flexible tails and rigid histone core regions in nucleosomes and their complexes with effector proteins.Furthermore,the combination of the two techniques allows tracking molecular properties of nucleosomes during phase separation processes,which potentially play essential roles in chromatin regulation.This review summarizes recent advances in NMR studies of chromatin structure and dynamics.It highlighted that NMR revealed unique molecular characteristics for nucleosomes that are often invisible experimentally by other techniques like cryogenic electron microscopy(cryo-EM)and X-ray diffraction(XRD).I envision that,with future ef-forts such as the development of NMR methods and optimization of sample production protocols,solution-state NMR and solid-state NMR will provide invaluable information to expand our understanding of chromatin activity and its regulatory processes.展开更多
We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implemen...We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implementedthe charge self-consistent DFT+DMFT formalism by interfacing a full-potential all-electron DFT code with threehybridization expansion-based continuous-time quantum Monte Carlo impurity solvers.The benchmarks on several 3d,4fand 5f strongly correlated electron systems validated our formalism and implementation.Furthermore,within the LCANOframework,our formalism is general and the code architecture is extensible,so it can work as a bridge merging differentLCNAO DFT packages and impurity solvers to do charge self-consistent DFT+DMFT calculations.展开更多
The dramatic temperature-dependence of liquids dynamics has attracted considerable scientific interests and efforts in the past decades, but the physics of which remains elusive. In addition to temperature, some other...The dramatic temperature-dependence of liquids dynamics has attracted considerable scientific interests and efforts in the past decades, but the physics of which remains elusive. In addition to temperature, some other parameters, such as pressure, loading and size, can also tune the liquid dynamics and induce glass transition, which makes the situation more complicated. Here, we performed molecular dynamics simulations for Ni_(50)Zr_(50) bulk liquid and nanodroplet to study the dynamics evolution in the complex multivariate phase space, especially along the isotherm with the change of pressure or droplet size. It is found that the short-time Debye–Waller factor universally determines the long-time relaxation dynamics no matter how the temperature, pressure or size changes. The basic correlation even holds at the local atomic scale. This finding provides general understanding of the microscopic mechanism of dynamic arrest and dynamic heterogeneity.展开更多
Dynamic structuralcolors can change in response todifferent environmental stimuli.This ability remains effectiveeven when the size of the speciesresponsible for the structural coloris reduced to a few micrometers,prov...Dynamic structuralcolors can change in response todifferent environmental stimuli.This ability remains effectiveeven when the size of the speciesresponsible for the structural coloris reduced to a few micrometers,providing a promising sensingmechanism for solving microenvironmentalsensing problems inmicro-robotics and microfluidics.However, the lack of dynamicstructural colors that can encoderapidly, easily integrate, and accuratelyreflect changes in physical quantities hinders their use in microscale sensing applications. Herein, we present a 2.5-dimensionaldynamic structural color based on nanogratings of heterogeneous materials, which were obtained by interweaving a pH-responsive hydrogelwith an IP-L photoresist. Transverse gratings printed with pH-responsive hydrogels elongated the period of longitudinal grating in the swollenstate, resulting in pH-tuned structural colors at a 45° incidence. Moreover, the patterned encoding and array printing of dynamic structuralcolors were achieved using grayscale stripe images to accurately encode the periods and heights of the nanogrid structures. Overall, dynamicstructural color networks exhibit promising potential for applications in information encryption and in situ sensing for microfluidic chips.展开更多
Wearable wristband systems leverage deep learning to revolutionize hand gesture recognition in daily activities.Unlike existing approaches that often focus on static gestures and require extensive labeled data,the pro...Wearable wristband systems leverage deep learning to revolutionize hand gesture recognition in daily activities.Unlike existing approaches that often focus on static gestures and require extensive labeled data,the proposed wearable wristband with selfsupervised contrastive learning excels at dynamic motion tracking and adapts rapidly across multiple scenarios.It features a four-channel sensing array composed of an ionic hydrogel with hierarchical microcone structures and ultrathin flexible electrodes,resulting in high-sensitivity capacitance output.Through wireless transmission from a Wi-Fi module,the proposed algorithm learns latent features from the unlabeled signals of random wrist movements.Remarkably,only few-shot labeled data are sufficient for fine-tuning the model,enabling rapid adaptation to various tasks.The system achieves a high accuracy of 94.9%in different scenarios,including the prediction of eight-direction commands,and air-writing of all numbers and letters.The proposed method facilitates smooth transitions between multiple tasks without the need for modifying the structure or undergoing extensive task-specific training.Its utility has been further extended to enhance human–machine interaction over digital platforms,such as game controls,calculators,and three-language login systems,offering users a natural and intuitive way of communication.展开更多
Gas quenching and vacuum quenching process are widely applied to accelerate solvent volatilization to induce nucleation of perovskites in blade-coating method.In this work,we found these two pre-crystallization proces...Gas quenching and vacuum quenching process are widely applied to accelerate solvent volatilization to induce nucleation of perovskites in blade-coating method.In this work,we found these two pre-crystallization processes lead to different order of crystallization dynamics within the perovskite thin film,resulting in the differences of additive distribution.We then tailor-designed an additive molecule named 1,3-bis(4-methoxyphenyl)thiourea to obtain films with fewer defects and holes at the buried interface,and prepared perovskite solar cells with a certified efficiency of 23.75%.Furthermore,this work also demonstrates an efficiency of 20.18%for the large-area perovskite solar module(PSM)with an aperture area of 60.84 cm^(2).The PSM possesses remarkable continuous operation stability for maximum power point tracking of T_(90)>1000 h in ambient air.展开更多
Efficient and stable photocathodes with versatility are of significance in photoassisted lithium-ion batteries(PLIBs),while there is always a request on fast carrier transport in electrochemical active photocathodes.P...Efficient and stable photocathodes with versatility are of significance in photoassisted lithium-ion batteries(PLIBs),while there is always a request on fast carrier transport in electrochemical active photocathodes.Present work proposes a general approach of creating bulk heterojunction to boost the carrier mobility of photocathodes by simply laser assisted embedding of plasmonic nanocrystals.When employed in PLIBs,it was found effective for synchronously enhanced photocharge separation and transport in light charging process.Additionally,experimental photon spectroscopy,finite difference time domain method simulation and theoretical analyses demonstrate that the improved carrier dynamics are driven by the plasmonic-induced hot electron injection from metal to TiO_(2),as well as the enhanced conductivity in TiO2 matrix due to the formation of oxygen vacancies after Schottky contact.Benefiting from these merits,several benchmark values in performance of TiO2-based photocathode applied in PLIBs are set,including the capacity of 276 mAh g^(−1) at 0.2 A g^(−1) under illumination,photoconversion efficiency of 1.276%at 3 A g^(−1),less capacity and Columbic efficiency loss even through 200 cycles.These results exemplify the potential of the bulk heterojunction strategy in developing highly efficient and stable photoassisted energy storage systems.展开更多
It is of great scientific significance to construct a 3D dynamic structural color with a special color effect based on the microlens array.However,the problems of imperfect mechanisms and poor color quality need to be...It is of great scientific significance to construct a 3D dynamic structural color with a special color effect based on the microlens array.However,the problems of imperfect mechanisms and poor color quality need to be solved.A method of 3D structural color turning on periodic metasurfaces fabricated by the microlens array and self-assembly technology was proposed in this study.In the experiment,Polydimethylsiloxane(PDMS)flexible film was used as a substrate,and SiO2 microspheres were scraped into grooves of the PDMS film to form 3D photonic crystal structures.By adjusting the number of blade-coated times and microsphere concentrations,high-saturation structural color micropatterns were obtained.These films were then matched with microlens arrays to produce dynamic graphics with iridescent effects.The results showed that by blade-coated two times and SiO2 microsphere concentrations of 50%are the best conditions.This method demonstrates the potential for being widely applied in the anticounterfeiting printing and ultra-high-resolution display.展开更多
Ribonucleic acid(RNA)structures and dynamics play a crucial role in elucidating RNA functions and facilitating the design of drugs targeting RNA and RNA-protein complexes.However,obtaining RNA structures using convent...Ribonucleic acid(RNA)structures and dynamics play a crucial role in elucidating RNA functions and facilitating the design of drugs targeting RNA and RNA-protein complexes.However,obtaining RNA structures using conventional biophysical techniques,such as Xray crystallography and solution nuclear magnetic resonance(NMR),presents challenges due to the inherent flexibility and susceptibility to degradation of RNA.In recent years,solid-state NMR(SSNMR)has rapidly emerged as a promising alternative technique for characterizing RNA structure and dynamics.SSNMR has several distinct advantages,including flexibility in sample states,the ability to capture dynamic features of RNA in solid form,and suitability to character RNAs in various sizes.Recent decade witnessed the growth of ^(1)H-detected SSNMR methods on RNA,which targeted elucidating RNA topology and base pair dynamics in solid state.They have been applied to determine the topology of RNA segment in human immunodeficiency virus(HIV)genome and the base pair dynamics of riboswitch RNA.These advancements have expanded the utility of SSNMR techniques within the RNA research field.This review provides a comprehensive discussion of recent progress in ^(1)H-detected SSNMR investigations into RNA structure and dynamics.We focus on the established ^(1)H-detected SSNMR methods,sample preparation protocols,and the implementation of rapid data acquisition approaches.展开更多
Using molecular dynamics methods,simulations of collision cascades in polycrystalline tungsten(W)have been conducted in this study,including different primary-knock-on atom(PKA)directions,grain sizes,and PKA energies ...Using molecular dynamics methods,simulations of collision cascades in polycrystalline tungsten(W)have been conducted in this study,including different primary-knock-on atom(PKA)directions,grain sizes,and PKA energies between 1 keV and 150 keV.The results indicate that a smaller grain size leads to more defects forming in grain boundary regions during cascade processes.The impact of high-energy PKA may cause a certain degree of distortion of the grain boundaries,which has a higher probability in systems with smaller grain sizes and becomes more pronounced as the PKA energy increases.The direction of PKA can affect the formation and diffusion pathways of defects.When the PKA direction is perpendicular to the grain boundary,defects preferentially form near the grain boundary regions;by contrast,defects are more inclined to form in the interior of the grains.These results are of great significance for comprehending the changes in the performance of polycrystalline W under the high-energy fusion environments and can provide theoretical guidance for further optimization and application of W-based plasma materials.展开更多
Explorations into new electrolytes have highlighted the critical impact of solvation structure on battery performance,Classical molecular dynamics(CMD)using semi-empirical force fields has become an essential tool for...Explorations into new electrolytes have highlighted the critical impact of solvation structure on battery performance,Classical molecular dynamics(CMD)using semi-empirical force fields has become an essential tool for simulating solvation structures.However,mainstream force fields often lack accuracy in describing strong ion-solvent interactions,causing disparities between CMD simulations and experimental observations.Although some empirical methods have been employed in some of the studies to address this issue,their effectiveness has been limited.Our CMD research,supported by quantum chemical calculations and experimental data,reveals that the solvation structure is influenced not only by the charge model but also by the polarization description.Previous empirical approaches that focused solely on adjusting ion-solvent interaction strengths overlooked the importance of polarization effects.Building on this insight,we propose integrating the Drude polarization model into mainstream force fields and verify its feasibility in carbonate,ether,and nitrile electrolytes.Our experimental results demonstrate that this approach significantly enhances the accuracy of CMD-simulated solvation structures.This work is expected to provide a more reliable CMD method for electrolyte design,shielding researchers from the pitfalls of erroneous simulation outcomes.展开更多
基金supported by Carnegie Canada and Natural Sciences and Engineering Research Council of Canada(NSERC)support from the U.S.Department of Energy(DOE),Office of Science,Basic Energy Sciences,under Award No.DESC0020683。
文摘The recent discovery of type-Ⅶboron-carbon clathrates with calculated superconducting transition temperatures approaching~100 K has sparked interest in exploring new conventional superconductors that may be stabilized at ambient pressure.The electronic structure of the clathrate is highly tunable based on the ability to substitute different metal atoms within the cages,which may also be large enough to host small molecules.Here we introduce molecular hydrogen(H_(2))within the clathrate cages and investigate its impact on electron-phonon coupling interactions and the superconducting transition temperature(T_(c)).Our approach involves combining molecular hydrogen with the new diamond-like covalent framework,resulting in a hydrogen-encapsulated clathrate,(H_(2))B_(3)C_(3).A notable characteristic of(H_(2))B_(3)C_(3)is the dynamic behavior of the H_(2)molecules,which exhibit nearly free rotations within the B-C cages,resulting in a dynamic structure that remains cubic on average.The static structure of(H_(2))B_(3)C_(3)(a snapshot in its dynamic trajectory)is calculated to be dynamically stable at ambient and low pressures.Topological analysis of the electron density reveals weak van der Waals interactions between molecular hydrogen and the B-C cages,marginally influencing the electronic structure of the material.The electron count and electronic structure calculations indicate that(H_(2))B_(3)C_(3)is a hole conductor,in which H_(2)molecules donate a portion of their valence electron density to the metallic cage framework.Electron-phonon coupling calculation using the Migdal-Eliashberg theory predicts that(H_(2))B_(3)C_(3)possesses a T_(c) of 46 K under ambient pressure.These results indicate potential for additional light-element substitutions within the type-Ⅶclathrate framework and suggest the possibility of molecular hydrogen as a new approach to optimizing the electronic structures of this new class of superconducting materials.
基金Project supported by the Education Department of Jilin Province,China(Grant No.JJKH20231291KJ)。
文摘We design dynamical Casimir arrays(DCA)consisting of giant atoms and coupled resonator waveguides(CRWs)to investigate the Einstein–Podolsky–Rosen(EPR)steering at finite temperatures.Our designed system exhibits an asymmetry in its structure,which is caused by the differences in the sizes and the coupling positions of the giant atoms.The system achieves different types of EPR steering and the reversal of one-way EPR steering by modulating parameters.Furthermore,the symmetry and asymmetry of the system structure,in their responses to parameter modulation,both reveal the asymmetry of EPR steering.In this process,we discover that with the increase in temperature,different types of steering can be transferred from Casimir photons to giant atoms.We also achieve the monogamy of the multipartite system.These results provide important assistance for secure quantum communication,and further intuitively validating the asymmetry of EPR steering from multiple perspectives.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.72071153 and 72231008)Laboratory of Science and Technology on Integrated Logistics Support Foundation (Grant No.6142003190102)the Natural Science Foundation of Shannxi Province (Grant No.2020JM486)。
文摘Identifying critical nodes or sets in large-scale networks is a fundamental scientific problem and one of the key research directions in the fields of data mining and network science when implementing network attacks, defense, repair and control.Traditional methods usually begin from the centrality, node location or the impact on the largest connected component after node destruction, mainly based on the network structure.However, these algorithms do not consider network state changes.We applied a model that combines a random connectivity matrix and minimal low-dimensional structures to represent network connectivity.By using mean field theory and information entropy to calculate node activity,we calculated the overlap between the random parts and fixed low-dimensional parts to quantify the influence of node impact on network state changes and ranked them by importance.We applied this algorithm and the proposed importance algorithm to the overall analysis and stratified analysis of the C.elegans neural network.We observed a change in the critical entropy of the network state and by utilizing the proposed method we can calculate the nodes that indirectly affect muscle cells through neural layers.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.62373197 and 61873326)。
文摘In many engineering networks, only a part of target state variables are required to be estimated.On the other hand,multi-layer complex network exists widely in practical situations.In this paper, the state estimation of target state variables in multi-layer complex dynamical networks with nonlinear node dynamics is studied.A suitable functional state observer is constructed with the limited measurement.The parameters of the designed functional observer are obtained from the algebraic method and the stability of the functional observer is proven by the Lyapunov theorem.Some necessary conditions that need to be satisfied for the design of the functional state observer are obtained.Different from previous studies, in the multi-layer complex dynamical network with nonlinear node dynamics, the proposed method can estimate the state of target variables on some layers directly instead of estimating all the individual states.Thus, it can greatly reduce the placement of observers and computational cost.Numerical simulations with the three-layer complex dynamical network composed of three-dimensional nonlinear dynamical nodes are developed to verify the effectiveness of the method.
基金Project jointly supported by the National Natural Science Foundation of China(Grant No.12372013)Program for Science and Technology Innovation Talents in Universities of Henan Province,China(Grant No.24HASTIT034)+3 种基金the Natural Science Foundation of Henan Province,China(Grant No.232300420122)the Humanities and Society Science Foundation from the Ministry of Education of China(Grant No.19YJCZH265)China Postdoctoral Science Foundation(Grant No.2019M651633)First Class Discipline of Zhejiang-A(Zhejiang University of Finance and Economics Statistics),the Collaborative Innovation Center for Data Science and Big Data Analysis(Zhejiang University of Finance and Economics-Statistics).
文摘This paper delves into the dynamical analysis,chaos control,Mittag–Leffler boundedness(MLB),and forecasting a fractional-order financial risk(FOFR)system through an absolute function term.To this end,the FOFR system is first proposed,and the adomian decomposition method(ADM)is employed to resolve this fractional-order system.The stability of equilibrium points and the corresponding control schemes are assessed,and several classical tools such as Lyapunov exponents(LE),bifurcation diagrams,complexity analysis(CA),and 0–1 test are further extended to analyze the dynamical behaviors of FOFR.Then the global Mittag–Leffler attractive set(MLAS)and Mittag–Leffler positive invariant set(MLPIS)for the proposed financial risk(FR)system are discussed.Finally,a proficient reservoir-computing(RC)method is applied to forecast the temporal evolution of the complex dynamics for the proposed system,and some simulations are carried out to show the effectiveness and feasibility of the present scheme.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12065009 and 12365002)the Science and Technology Planning Project of Jiangxi Province of China(Grant Nos.20224ACB201006 and 20224BAB201023)。
文摘We investigate the non-Hermitian effects on quantum diffusion in a kicked rotor model where the complex kicking potential is quasi-periodically modulated in the time domain.The synthetic space with arbitrary dimension can be created by incorporating incommensurate frequencies in the quasi-periodical modulation.In the Hermitian case,strong kicking induces the chaotic diffusion in the four-dimension momentum space characterized by linear growth of mean energy.We find that the quantum coherence in deep non-Hermitian regime can effectively suppress the chaotic diffusion and hence result in the emergence of dynamical localization.Moreover,the extent of dynamical localization is dramatically enhanced by increasing the non-Hermitian parameter.Interestingly,the quasi-energies become complex when the non-Hermitian parameter exceeds a certain threshold value.The quantum state will finally evolve to a quasi-eigenstate for which the imaginary part of its quasi-energy is large most.The exponential localization length decreases with the increase of the non-Hermitian parameter,unveiling the underlying mechanism of the enhancement of the dynamical localization by nonHermiticity.
基金Project supported by the National Natural Science Foundation of China(Grant No.51701180)the Foundation of the State Key Laboratory of Coal Conversion,China(Grant No.J22-23-103)。
文摘The structural transformation from a liquid into a crystalline solid is an important subject in condensed matter physics and materials science. In the present study, first-principles molecular dynamics calculations are performed to investigate the structure and properties of aluminum during the solidification which is induced by cooling and compression. In the cooling process and compression process, it is found that the icosahedral short-range order is initially enhanced and then begin to decay, the face-centered cubic short-range order eventually becomes dominant before it transforms into a crystalline solid.
基金Project supported by the NSAF(Grant No.U1930201)the National Natural Science Foundation of China(Grant Nos.12274331,91836101,and 91836302)+1 种基金the National Key R&D Program of China(Grant No.2018YFA0306504)Innovation Program for Quantum Science and Technology(Grant No.2021ZD0302100).
文摘Dynamical decoupling(DD)is normally ineffective when applied to DC measurement.In its straightforward implementation,DD nulls out DC signal as well while suppressing noise.This work proposes a phase relay method that is capable of continuously interrogating the DC signal over many DD cycles.We illustrate its efficacy when applied to the measurement of a weak DC magnetic field with an atomic spinor Bose-Einstein condensate.Sensitivities approaching standard quantum limit or Heisenberg limit are potentially realizable for a coherent spin state or a squeezed spin state of 10000 atoms,respectively,while ambient laboratory level noise is suppressed by DD.Our work offers a practical approach to mitigate the limitations of DD to DC measurement and would find other applications for resorting coherence in quantum sensing and quantum information processing research.
基金Project supported by the Natural Science Foundation of Jiangsu Province (Grant No.BK20220917)the National Natural Science Foundation of China (Grant Nos.12001213 and 12302035)。
文摘We present a large deviation theory that characterizes the exponential estimate for rare events in stochastic dynamical systems in the limit of weak noise.We aim to consider a next-to-leading-order approximation for more accurate calculation of the mean exit time by computing large deviation prefactors with the aid of machine learning.More specifically,we design a neural network framework to compute quasipotential,most probable paths and prefactors based on the orthogonal decomposition of a vector field.We corroborate the higher effectiveness and accuracy of our algorithm with two toy models.Numerical experiments demonstrate its powerful functionality in exploring the internal mechanism of rare events triggered by weak random fluctuations.
基金supported by funds from the National Natural Science Foundation of China(grant number:32201006)Guangdong Province(grant number:2021QN02Y103,2022ZDZX2061,2022KCXTD034)2023 Stable Support Plan Program of Shenzhen Colleges and Universities Fund.
文摘Eukaryotic deoxyribonucleic acid(DNA)is wrapped around histone octamers(HOs)to form nucleosome core particles(NCPs),which in turn interact with linker DNA and linker histones to assemble chromatin fibers with more complex,high-order structures.The molecular properties of chromatin are dynamically regulated by several factors,such as post-translational modifications and effector proteins,to maintain genome stability.In the past two decades,high-resolution techniques have led to many breakthroughs in understanding the molecular mechanisms that govern chromatin regulation.Nuclear magnetic resonance(NMR)has emerged as one of the major techniques in this field,providing new insights into the nucleosomes and nucleosome-protein complexes in different states ranging from soluble form to condensed states.Solution-state NMR has proven valuable in elucidating the conformational dynamics and molecular interactions for histone N-terminal tails,histone core regions and DNA with the combination of specific isotopic labeling.Solid-state NMR,which is not constrained by the high molecular weights of complexes like nucleosomes,has been applied to capture the structural and dynamical characteristics of both flexible tails and rigid histone core regions in nucleosomes and their complexes with effector proteins.Furthermore,the combination of the two techniques allows tracking molecular properties of nucleosomes during phase separation processes,which potentially play essential roles in chromatin regulation.This review summarizes recent advances in NMR studies of chromatin structure and dynamics.It highlighted that NMR revealed unique molecular characteristics for nucleosomes that are often invisible experimentally by other techniques like cryogenic electron microscopy(cryo-EM)and X-ray diffraction(XRD).I envision that,with future ef-forts such as the development of NMR methods and optimization of sample production protocols,solution-state NMR and solid-state NMR will provide invaluable information to expand our understanding of chromatin activity and its regulatory processes.
文摘We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implementedthe charge self-consistent DFT+DMFT formalism by interfacing a full-potential all-electron DFT code with threehybridization expansion-based continuous-time quantum Monte Carlo impurity solvers.The benchmarks on several 3d,4fand 5f strongly correlated electron systems validated our formalism and implementation.Furthermore,within the LCANOframework,our formalism is general and the code architecture is extensible,so it can work as a bridge merging differentLCNAO DFT packages and impurity solvers to do charge self-consistent DFT+DMFT calculations.
基金Project supported by the National Natural Science Foundation of China (Grant No.52031016)。
文摘The dramatic temperature-dependence of liquids dynamics has attracted considerable scientific interests and efforts in the past decades, but the physics of which remains elusive. In addition to temperature, some other parameters, such as pressure, loading and size, can also tune the liquid dynamics and induce glass transition, which makes the situation more complicated. Here, we performed molecular dynamics simulations for Ni_(50)Zr_(50) bulk liquid and nanodroplet to study the dynamics evolution in the complex multivariate phase space, especially along the isotherm with the change of pressure or droplet size. It is found that the short-time Debye–Waller factor universally determines the long-time relaxation dynamics no matter how the temperature, pressure or size changes. The basic correlation even holds at the local atomic scale. This finding provides general understanding of the microscopic mechanism of dynamic arrest and dynamic heterogeneity.
基金supported by the National Natural Science Foundation of China(Grant No.61925307).
文摘Dynamic structuralcolors can change in response todifferent environmental stimuli.This ability remains effectiveeven when the size of the speciesresponsible for the structural coloris reduced to a few micrometers,providing a promising sensingmechanism for solving microenvironmentalsensing problems inmicro-robotics and microfluidics.However, the lack of dynamicstructural colors that can encoderapidly, easily integrate, and accuratelyreflect changes in physical quantities hinders their use in microscale sensing applications. Herein, we present a 2.5-dimensionaldynamic structural color based on nanogratings of heterogeneous materials, which were obtained by interweaving a pH-responsive hydrogelwith an IP-L photoresist. Transverse gratings printed with pH-responsive hydrogels elongated the period of longitudinal grating in the swollenstate, resulting in pH-tuned structural colors at a 45° incidence. Moreover, the patterned encoding and array printing of dynamic structuralcolors were achieved using grayscale stripe images to accurately encode the periods and heights of the nanogrid structures. Overall, dynamicstructural color networks exhibit promising potential for applications in information encryption and in situ sensing for microfluidic chips.
基金supported by the Research Grant Fund from Kwangwoon University in 2023,the National Natural Science Foundation of China under Grant(62311540155)the Taishan Scholars Project Special Funds(tsqn202312035)the open research foundation of State Key Laboratory of Integrated Chips and Systems.
文摘Wearable wristband systems leverage deep learning to revolutionize hand gesture recognition in daily activities.Unlike existing approaches that often focus on static gestures and require extensive labeled data,the proposed wearable wristband with selfsupervised contrastive learning excels at dynamic motion tracking and adapts rapidly across multiple scenarios.It features a four-channel sensing array composed of an ionic hydrogel with hierarchical microcone structures and ultrathin flexible electrodes,resulting in high-sensitivity capacitance output.Through wireless transmission from a Wi-Fi module,the proposed algorithm learns latent features from the unlabeled signals of random wrist movements.Remarkably,only few-shot labeled data are sufficient for fine-tuning the model,enabling rapid adaptation to various tasks.The system achieves a high accuracy of 94.9%in different scenarios,including the prediction of eight-direction commands,and air-writing of all numbers and letters.The proposed method facilitates smooth transitions between multiple tasks without the need for modifying the structure or undergoing extensive task-specific training.Its utility has been further extended to enhance human–machine interaction over digital platforms,such as game controls,calculators,and three-language login systems,offering users a natural and intuitive way of communication.
基金supported by National Natural Science Foundation of China(62104082)Guangdong Basic and Applied Basic Research Foundation(2022A1515010746,2022A1515011228,and 2022B1515120006)the Science and Technology Program of Guangzhou(202201010458).
文摘Gas quenching and vacuum quenching process are widely applied to accelerate solvent volatilization to induce nucleation of perovskites in blade-coating method.In this work,we found these two pre-crystallization processes lead to different order of crystallization dynamics within the perovskite thin film,resulting in the differences of additive distribution.We then tailor-designed an additive molecule named 1,3-bis(4-methoxyphenyl)thiourea to obtain films with fewer defects and holes at the buried interface,and prepared perovskite solar cells with a certified efficiency of 23.75%.Furthermore,this work also demonstrates an efficiency of 20.18%for the large-area perovskite solar module(PSM)with an aperture area of 60.84 cm^(2).The PSM possesses remarkable continuous operation stability for maximum power point tracking of T_(90)>1000 h in ambient air.
基金supported by the project of the National Natural Science Foundation of China(52202115 and 52172101)Guangdong Basic and Applied Basic Research Foundation(2024A1515012325)+2 种基金the Natural Science Foundation of Chongqing,China(CSTB2022NSCQ-MSX1085)the Shaanxi Science and Technology Innovation Team(2023-CXTD-44)the Fundamental Research Funds for the Central Universities(G2022KY0604).
文摘Efficient and stable photocathodes with versatility are of significance in photoassisted lithium-ion batteries(PLIBs),while there is always a request on fast carrier transport in electrochemical active photocathodes.Present work proposes a general approach of creating bulk heterojunction to boost the carrier mobility of photocathodes by simply laser assisted embedding of plasmonic nanocrystals.When employed in PLIBs,it was found effective for synchronously enhanced photocharge separation and transport in light charging process.Additionally,experimental photon spectroscopy,finite difference time domain method simulation and theoretical analyses demonstrate that the improved carrier dynamics are driven by the plasmonic-induced hot electron injection from metal to TiO_(2),as well as the enhanced conductivity in TiO2 matrix due to the formation of oxygen vacancies after Schottky contact.Benefiting from these merits,several benchmark values in performance of TiO2-based photocathode applied in PLIBs are set,including the capacity of 276 mAh g^(−1) at 0.2 A g^(−1) under illumination,photoconversion efficiency of 1.276%at 3 A g^(−1),less capacity and Columbic efficiency loss even through 200 cycles.These results exemplify the potential of the bulk heterojunction strategy in developing highly efficient and stable photoassisted energy storage systems.
文摘It is of great scientific significance to construct a 3D dynamic structural color with a special color effect based on the microlens array.However,the problems of imperfect mechanisms and poor color quality need to be solved.A method of 3D structural color turning on periodic metasurfaces fabricated by the microlens array and self-assembly technology was proposed in this study.In the experiment,Polydimethylsiloxane(PDMS)flexible film was used as a substrate,and SiO2 microspheres were scraped into grooves of the PDMS film to form 3D photonic crystal structures.By adjusting the number of blade-coated times and microsphere concentrations,high-saturation structural color micropatterns were obtained.These films were then matched with microlens arrays to produce dynamic graphics with iridescent effects.The results showed that by blade-coated two times and SiO2 microsphere concentrations of 50%are the best conditions.This method demonstrates the potential for being widely applied in the anticounterfeiting printing and ultra-high-resolution display.
基金supported by the National Natural Science Foundation of China(grant number:22274050)the Shanghai Science and Technology Commission(contract number:23J21900300)the Fundamental Research Funds for the Central Universities.
文摘Ribonucleic acid(RNA)structures and dynamics play a crucial role in elucidating RNA functions and facilitating the design of drugs targeting RNA and RNA-protein complexes.However,obtaining RNA structures using conventional biophysical techniques,such as Xray crystallography and solution nuclear magnetic resonance(NMR),presents challenges due to the inherent flexibility and susceptibility to degradation of RNA.In recent years,solid-state NMR(SSNMR)has rapidly emerged as a promising alternative technique for characterizing RNA structure and dynamics.SSNMR has several distinct advantages,including flexibility in sample states,the ability to capture dynamic features of RNA in solid form,and suitability to character RNAs in various sizes.Recent decade witnessed the growth of ^(1)H-detected SSNMR methods on RNA,which targeted elucidating RNA topology and base pair dynamics in solid state.They have been applied to determine the topology of RNA segment in human immunodeficiency virus(HIV)genome and the base pair dynamics of riboswitch RNA.These advancements have expanded the utility of SSNMR techniques within the RNA research field.This review provides a comprehensive discussion of recent progress in ^(1)H-detected SSNMR investigations into RNA structure and dynamics.We focus on the established ^(1)H-detected SSNMR methods,sample preparation protocols,and the implementation of rapid data acquisition approaches.
基金Project supported by the National MCF Energy Research and Development Program of China(Grant No.2018YFE0308101)the National Key Research and Development Program of China(Grant No.2018YFB0704000)+1 种基金the Suqian Science and Technology Program(Grant No.K202337)the Natural Science Foundation of the Jiangsu Higher Education Institutions of China(Grant No.23KJD490001).
文摘Using molecular dynamics methods,simulations of collision cascades in polycrystalline tungsten(W)have been conducted in this study,including different primary-knock-on atom(PKA)directions,grain sizes,and PKA energies between 1 keV and 150 keV.The results indicate that a smaller grain size leads to more defects forming in grain boundary regions during cascade processes.The impact of high-energy PKA may cause a certain degree of distortion of the grain boundaries,which has a higher probability in systems with smaller grain sizes and becomes more pronounced as the PKA energy increases.The direction of PKA can affect the formation and diffusion pathways of defects.When the PKA direction is perpendicular to the grain boundary,defects preferentially form near the grain boundary regions;by contrast,defects are more inclined to form in the interior of the grains.These results are of great significance for comprehending the changes in the performance of polycrystalline W under the high-energy fusion environments and can provide theoretical guidance for further optimization and application of W-based plasma materials.
基金supported by the Science and Technology Project of State Grid Corporation of China(5419-202199552A-0-5-ZN).
文摘Explorations into new electrolytes have highlighted the critical impact of solvation structure on battery performance,Classical molecular dynamics(CMD)using semi-empirical force fields has become an essential tool for simulating solvation structures.However,mainstream force fields often lack accuracy in describing strong ion-solvent interactions,causing disparities between CMD simulations and experimental observations.Although some empirical methods have been employed in some of the studies to address this issue,their effectiveness has been limited.Our CMD research,supported by quantum chemical calculations and experimental data,reveals that the solvation structure is influenced not only by the charge model but also by the polarization description.Previous empirical approaches that focused solely on adjusting ion-solvent interaction strengths overlooked the importance of polarization effects.Building on this insight,we propose integrating the Drude polarization model into mainstream force fields and verify its feasibility in carbonate,ether,and nitrile electrolytes.Our experimental results demonstrate that this approach significantly enhances the accuracy of CMD-simulated solvation structures.This work is expected to provide a more reliable CMD method for electrolyte design,shielding researchers from the pitfalls of erroneous simulation outcomes.
