The search for novel carbons has been an important research topic for developing high-performance anodes of lithium-ion batteries(LIBs)and sodium-ion batteries(SIBs).In this study,we fabricated a new carbon,long-range...The search for novel carbons has been an important research topic for developing high-performance anodes of lithium-ion batteries(LIBs)and sodium-ion batteries(SIBs).In this study,we fabricated a new carbon,long-range ordered porous carbon(LOPC),by inducing covalent bonds between face-centered cubic C_(60)(fcc C_(60))cages in a molecular crystal via electron injection under vacuum at~520°C.The LOPC maintains the periodic lattice of the fcc C_(60)molecular crystal but has improved structural stability and electrical conductivity because of the sp^(2)bonding formed between C_(60)molecules.Compared with fcc C_(60),which has a much greater specific surface area(327.1 m^(2)·g^(−1)),LOPC has a specific capacity of 820.9 mA·h·g^(−1)or 292.9 mA·h·g^(−1)as an anode for LIBs or SIBs,both of which are measured at a current density of 0.1 A·g^(−1).This porous yet ordered carbon may open new opportunities for anode materials in electrochemical energy storage.展开更多
Long-range ordered nanostructures are prepared in the poly（styrene）-block-poly（e-caprolactone） diblock copolymer thin films using micromolding. We evaluated the change in crystallinity based on grazing-incidence X...Long-range ordered nanostructures are prepared in the poly（styrene）-block-poly（e-caprolactone） diblock copolymer thin films using micromolding. We evaluated the change in crystallinity based on grazing-incidence X-ray diffraction and proved that the crystallinity increased with the decrease of the mold size. This means that ordered nanostructures with atomic length scale order can be adjusted by tuning the mesoscale confinement. The inherent mechanism was the cooperation of geometric confinement, microphase structure and surface-induced ordering of PS-b-PCL in the melt, which paved the way for the subsequent crystal growth. These findings establish a route to promote the cost-effective nanofabrication by combining the mature microfabrication technique with the emerging directed self-assembly of block copolymers.展开更多
By applying Bogoliubov's ineguality to double-exchange(DE) ladders, we show that the ferromagnetic(FM) order is absent in the new DE systems at finite temperatures. The incorporation of Jahn-Teller electron-phonon...By applying Bogoliubov's ineguality to double-exchange(DE) ladders, we show that the ferromagnetic(FM) order is absent in the new DE systems at finite temperatures. The incorporation of Jahn-Teller electron-phonon coupling, orbital degeneracy and on-site Coulomb interaction with the DE interaction do not preserve these orders. The long-wavelength thermal fluctuations of the spins oversome the DEFM correlation and destroy the FM orders. The implication of the absence of FM order on the transport of the DE ladders is discussed.展开更多
We investigate numerically the effects of long-range temporal and spatial correlations based on the rescaled distributions of the squared interface width W^(2)(L, t) and the interface height h(x, t)in the(1+1)-dimensi...We investigate numerically the effects of long-range temporal and spatial correlations based on the rescaled distributions of the squared interface width W^(2)(L, t) and the interface height h(x, t)in the(1+1)-dimensional Kardar-Parisi-Zhang(KPZ) growth system within the early growth regime. Through extensive numerical simulations, we find that long-range temporally correlated noise does not significantly impact the distribution form of the interface width. Generally,W^(2)(L, t) approximately obeys a lognormal distribution when the temporal correlation exponentθ ≥0. On the other hand, the effects of long-range spatially correlated noise are evidently different from the temporally correlated case. Our results show that, when the spatial correlation exponent ρ ≤ 0.20, the distribution forms of W^(2)(L, t) approach the lognormal distribution, and when ρ > 0.20, the distribution becomes more asymmetric, steep, and fat-tailed, and tends to an unknown distribution form. As a comparison, probability distributions of the interface height are also provided in the temporally and spatially correlated KPZ system, exhibiting quite different characteristics from each other within the whole correlated strengths. For the temporal correlation, the height distributions follow Tracy-Widom Gaussian orthogonal ensemble(TW-GOE) when θ → 0, and with increasing θ, the height distributions crossover continuously to an unknown distribution. However, for the spatial correlation, the height distributions gradually transition from the TW-GOE distribution to the standard Gaussian form.展开更多
In the field of intelligent air combat,real-time and accurate recognition of within-visual-range(WVR)maneuver actions serves as the foundational cornerstone for constructing autonomous decision-making systems.However,...In the field of intelligent air combat,real-time and accurate recognition of within-visual-range(WVR)maneuver actions serves as the foundational cornerstone for constructing autonomous decision-making systems.However,existing methods face two major challenges:traditional feature engineering suffers from insufficient effective dimensionality in the feature space due to kinematic coupling,making it difficult to distinguish essential differences between maneuvers,while end-to-end deep learning models lack controllability in implicit feature learning and fail to model high-order long-range temporal dependencies.This paper proposes a trajectory feature pre-extraction method based on a Long-range Masked Autoencoder(LMAE),incorporating three key innovations:(1)Random Fragment High-ratio Masking(RFH-Mask),which enforces the model to learn long-range temporal correlations by masking 80%of trajectory data while retaining continuous fragments;(2)Kalman Filter-Guided Objective Function(KFG-OF),integrating trajectory continuity constraints to align the feature space with kinematic principles;and(3)Two-stage Decoupled Architecture,enabling efficient and controllable feature learning through unsupervised pre-training and frozen-feature transfer.Experimental results demonstrate that LMAE significantly improves the average recognition accuracy for 20-class maneuvers compared to traditional end-to-end models,while significantly accelerating convergence speed.The contributions of this work lie in:introducing high-masking-rate autoencoders into low-informationdensity trajectory analysis,proposing a feature engineering framework with enhanced controllability and efficiency,and providing a novel technical pathway for intelligent air combat decision-making systems.展开更多
The synchrotron radiation beamline BL17B of the National Facility for Protein Science(NFPS)in Shanghai,situated at the Shanghai Synchrotron Radiation Facility(SSRF),was originally designed for diffraction experiments ...The synchrotron radiation beamline BL17B of the National Facility for Protein Science(NFPS)in Shanghai,situated at the Shanghai Synchrotron Radiation Facility(SSRF),was originally designed for diffraction experiments and accommodates techniques including single-crystal diffraction,powder diffraction,and grazing-incidence wide-angle X-ray scattering(GIWAXS)to enable the characterization of long-range ordered atomic structures.The academic community associated with BL17B engages in research domains encompassing biology,environment,energy,and materials,and a pronounced demand for characterizing short-range ordered structures exists.To address these requirements,BL17B established an advanced X-ray absorption fine structure(XAFS)experimental platform that enabled it to address a wide range of systems,from crystalline to amorphous and from long-range order to short-range order.The XAFS platform allows simultaneous XAFS data acquisition for both the transmission and fluorescence modes within an energy range of 5-23 keV,encompassing the K-edges of titanium to ruthenium and the L3-edges of cesium to bismuth.The platform exemplifies high levels of automation achieved through automated sample assessment and data collection based on large-capacity sample wheels that facilitate remote sample loading.When integrated with a highly integrated control system that simplifies experimental preparation and data collection,the XAFS platform significantly bolsters experimental efficiency and enhances user experience.Notably,the platform boasts an impressively low extended X-ray absorption fine structure(EXAFS)detection limit of 0.04 wt%for dilute copper phthalocyanine(CuPc)samples and an even more remarkable X-ray absorption near edge structure(XANES)detection threshold of 0.01 wt%.These results demonstrate the methodology?s reliability in low-concentration sample analysis,confirming its capability to generate high-quality XAFS data.展开更多
The study of temperature-driven phase transitions is significant in phosphate chemistry,as these transitions often lead to unique physical properties for specific applications,such as catalysis,energy storage,ion cond...The study of temperature-driven phase transitions is significant in phosphate chemistry,as these transitions often lead to unique physical properties for specific applications,such as catalysis,energy storage,ion conduction,and nonlinear optics[1–3].The phase transition from room temperature(RT)to high temperature(HT)in phosphates is always from periodic structures to disordered or amorphous states[4–8].At RT,phosphates often maintain a highly ordered crystalline structure,which is stabilized by the lower thermal energy.As the temperature increases,the thermal energy disrupts the periodic arrangement of atoms and leads to a phase transition,where the once ordered structure becomes increasingly disordered or even amorphous.展开更多
The relationship between the structural stability and the long-range-order parameter of stoichiometry NiAl has been studied using effective atom model based on the embedded-atom-method(EAM) potential. The results obta...The relationship between the structural stability and the long-range-order parameter of stoichiometry NiAl has been studied using effective atom model based on the embedded-atom-method(EAM) potential. The results obtained from the computation show that NiAl lacks a metastable disordered structure intrinsically, and has the stable ordered B2 phase,which are consistent with experimental results.展开更多
It is shown that in the quantum structural approach to high-Tc superconductivity, the wave function in terms of the alternate molecular bonding geminals possesses off-diagonal long-range order (ODLRO).
Long-range magnetic order appears on a side decorated Heisenberg spin nanoribbon at nonzero temperature,although no spontaneous magnetization exists in a one-or two-dimensional isotropic Heisenberg model at any nonzer...Long-range magnetic order appears on a side decorated Heisenberg spin nanoribbon at nonzero temperature,although no spontaneous magnetization exists in a one-or two-dimensional isotropic Heisenberg model at any nonzero temperature according to the Mermin-Wagner theorem.By use of the spin Green's function method,we calculated the magnetizations of Heisenberg nanoribbons decorated by side spins with single-ion anisotropy and found that the system exhibits a nonzero transition temperature,whether the decorated edge spins of the system link together or separate from each other.When the width of the nanoribbon achieves infinite limit,the transition temperatures of the system tend to the same finite constant eventually whether one edge or both edges are decorated by side spins in the nanoribbon.The results reveal that the magnetism of a low-dimensional spin system is different from that of a threedimensional spin system.When the single-ion anisotropy of edge spins in a Heisenberg spin nanoribbon can be modulated by an electric field experimentally,various useful long-range magnetic orders of the system can be obtained.This work can provide a detailed theoretical basis for designing and fabricating next-generation low-dimensional magnetic random-access memory.展开更多
Sluggish sulfur conversion kinetics pose an ongoing challenge in lithium-sulfur batteries(LSBs).Here,we present a solution through far-reaching long-range electronic regulation(LRER)on single-atom active sites.N-doped...Sluggish sulfur conversion kinetics pose an ongoing challenge in lithium-sulfur batteries(LSBs).Here,we present a solution through far-reaching long-range electronic regulation(LRER)on single-atom active sites.N-doped carbons(Co-NC)are implanted with densely-distributed Co single atoms,and supported on Ti_(3)C_(2)T_(x)MXene substrates to assemble 3D Co-NC/MXene catalyst.MXene effectively mediates interlayer charge transfer(~0.70|e|)contrasted with popular carbon materials(~0.06|e|)to produce LRER through surrounding carbon atoms.The synergy of LRER with near-range electronic regulation(NRER)tunes electronic structures,and enhances heterostructural stability,thus provoking desirous catalytic kinetics of Co single atoms in sulfur reduction.Thereby,the Co-NC/MXene/S cathodes exhibit impressive rate performance and excellent cycling stability(only 0.015%capacity decay per cycle over 600 cycles at 4 C)in LSBs,surpassing state-of-the-art sulfur cathodes.This work reveals the importance of LRER for improved catalysis,and provides new guidance to tailor heterostructures to achieve high-efficient catalysts in various process.展开更多
Catalysts with asymmetric coordination exhibit excellent electrocatalytic activity due to changes in the active sites,which affect the arrangement of reactants and catalytic activity/selectivity.Hence,the exploration ...Catalysts with asymmetric coordination exhibit excellent electrocatalytic activity due to changes in the active sites,which affect the arrangement of reactants and catalytic activity/selectivity.Hence,the exploration of the inherent characteristics of active sites within diverse coordination environments holds great significance for the experimental design of catalytic structures.Single-atom catalysts(SACs)characterized by high coordination with four carbons(26 candidates)and low coordination with dinitrogen(27candidates)are constructed using nitrogen-doped graphdiyne derivatives(NGDY)as the substrate.Additionally,5 species of dual-atom catalysts(DACs)with coexistence of both high and low coordination sites are also developed and their nitrogen reduction reaction(NRR)activities are systematically investigated by density functional theory.The results indicate that metals with low coordination exhibit superior catalytic performance,such as Mo^(L)-NGDY(U_(L)=-0.30 V)and Nb^(L)-NGDY(U_(L)=-0.32 V).Furthermore,machine learning(ML)methods have deeply analyzed and elucidated the primary intrinsic characteristics that influence catalytic performance.These results not only unveil the underlying mechanisms behind the exceptional catalytic performance exhibited by low-coordination metal atoms,but also provide relevant and significant descriptors.More importantly,based on an investigation of the catalytic activity of a series of DACs,the“buffer and low-coordination accumulate”asymmetric coordination mechanism is proposed to unveil the long-range interactions between low and high coordination atoms.Due to this remote communication,MoNb-NGDY(U_(L)=-0.09/-0.37 V)exhibits the best NRR activity.This mechanism provides valuable insights into the origin of long-range bipartite interactions and inspires the design and synthesis of NRR catalysts with different coordination environments.展开更多
A Hamiltonian mean-field model with long-range four-body interactions is proposed.The model describes a long-range mean-field system in which N unit-mass particles move on a unit circle.Each particleθi interacts with...A Hamiltonian mean-field model with long-range four-body interactions is proposed.The model describes a long-range mean-field system in which N unit-mass particles move on a unit circle.Each particleθi interacts with any three other particles through an infinite-range cosine potential with an attractive interaction(ε>0).By applying a method that remaps the average phase of global particle pairs onto a new unit circle,and using the saddle-point technique,the partition function is solved analytically after introducing four-body interactions,yielding expressions for the free energy f and the energy per particle U.These results were further validated through numerical simulations.The results show that the system undergoes a second-order phase transition at the critical energy Uc.Specifically,the critical energy corresponds to U_(c)=0.32 when the coupling constantε=5,and U_(c)=0.63 whenε=10.Finally,we calculated the system’s largest Lyapunov exponentλand kinetic energy fluctuationsΣthrough numerical simulations.It is found that the peak of the largest Lyapunov exponentλoccurs slightly below the critical energy Uc,which is consistent with the point of maximum kinetic energy fluctuationsΣ.And there is a scaling law ofΣ/N^(1/2)∝λbetween them.展开更多
We investigate the parity-time(PT)symmetry-breaking quantum phase transition in a one-dimensional(1D)bosonic lattice featuring cavity-mediated long-range interactions and spatially staggered dissipation.By mapping the...We investigate the parity-time(PT)symmetry-breaking quantum phase transition in a one-dimensional(1D)bosonic lattice featuring cavity-mediated long-range interactions and spatially staggered dissipation.By mapping the system to an effective spin chain under the constraints of hard-core bosons and integrating the mean-field decoupling approach with biorthogonal basis formalism,we derive a self-consistency equation.Numerical simulation results validate that the derived equation quantitatively captures thePT-symmetry order parameter’s phase diagram.Our findings reveal that coherent hopping maintainsPTsymmetry through quantum fluctuations.Conversely,cavity-engineered long-range interactions,in synergy with staggered dissipation,act in opposition to drive symmetry breaking.This competitive interplay can inspire further exploration of tunable quantum phase transitions in non-Hermitian systems.展开更多
Consecutive stresses,such as initial submergence during germination followed by water deficit during the seedling stage,pose significant challenges to direct-seeded rice cultivation.By Linkage disequilibrium analysis,...Consecutive stresses,such as initial submergence during germination followed by water deficit during the seedling stage,pose significant challenges to direct-seeded rice cultivation.By Linkage disequilibrium analysis,Sub1 and Dro1(Δbp:10 Mb),as well as Sub1 and TPP7(Δbp:6 Mb)were identified to exhibit long-range linkage disequilibrium(LRLD).Meta-QTL analysis further revealed that Sub1 and TPP7 co-segregated for tolerance to submergence at the germination and seedling stages.Based on this,we hypothesized that LRLD might influence plant responses to consecutive stresses.To test this hypothesis,we developed a structured recombinant inbred line population from a cross between Bhalum 2 and Nagina 22,with alleles(Sub1 and TPP7)in linkage equilibrium.Mendelian randomization analysis validated that the parental alleles,rather than the recombinant alleles of Sub1 and TPP7,significantly influenced 13 out of 41 traits under consecutive stress conditions.Additionally,16 minor additive effect QTLs were detected between the genomic regions,spanning Sub1 and TPP7 for various traits.A single allele difference between these genomic regions enhanced crown root number,root dry weight,and specific root area by 11.45%,15.69%,and 33.15%,respectively,under flooded germination conditions.Candidate gene analysis identified WAK79 and MRLK59 as regulators of stress responses during flooded germination,recovery,and subsequent water deficit conditions.These findings highlight the critical role of parental allele combinations and genomic regions between Sub1 and TPP7 in regulating the stress responses under consecutive stresses.Favourable haplotypes derived from these alleles can be utilized to improve stress resilience in direct-seeded rice.展开更多
This paper studies high order compact finite volume methods on non-uniform meshes for one-dimensional elliptic and parabolic differential equations with the Robin boundary conditions.An explicit scheme and an implicit...This paper studies high order compact finite volume methods on non-uniform meshes for one-dimensional elliptic and parabolic differential equations with the Robin boundary conditions.An explicit scheme and an implicit scheme are obtained by discretizing the equivalent integral form of the equation.For the explicit scheme with nodal values,the algebraic system can be solved by the Thomas method.For the implicit scheme with both nodal values and their derivatives,the system can be implemented by a prediction-correction procedure,where in the correction stage,an implicit formula for recovering the nodal derivatives is introduced.Taking two point boundary value problem as an example,we prove that both the explicit and implicit schemes are convergent with fourth order accuracy with respect to some standard discrete norms using the energy method.Two numerical examples demonstrate the correctness and effectiveness of the schemes,as well as the indispensability of using non-uniform meshes.展开更多
When a ceramic ionic-crystal nanocluster is group-substituted with polymer chain segments to form an ionomeric aggregate,is the ordered structure maintained within the sterically hindered nanocluster?We observed,for N...When a ceramic ionic-crystal nanocluster is group-substituted with polymer chain segments to form an ionomeric aggregate,is the ordered structure maintained within the sterically hindered nanocluster?We observed,for Na-salt sulfonated polystyrene ionomer,the electron-diffraction lattice fringes of the nanoclusters,which proved their internal crystalline ordering driven by electrostatic attractions overcoming steric hindrance.Kinetically,the nanoclusters'enhanced melting endotherm upon aging indicate their quasi-,slow-ordering character.Extended tight binding molecular dynamics simulations provide an insight into the mechanism underlying the ionic-group aggregation during nanoclustering.We hence proposed an uncommon state of order,polymer-bound ceramic quasicrystal,supplementary to the order phenomena in crystalline ceramics.展开更多
Molecular dynamics simulations were carried out to study the effect of chemical short-range order(CSRO)on the primary radiation damage in TiVTaNb high-entropy alloys(HEAs).We have performed displacement cascade simula...Molecular dynamics simulations were carried out to study the effect of chemical short-range order(CSRO)on the primary radiation damage in TiVTaNb high-entropy alloys(HEAs).We have performed displacement cascade simulations to explore the CSRO effect on the generation and evolution behaviors of irradiation defects.The results demonstrate that CSRO can suppress the formation of Frenkel pairs in TiVTaNb HEAs,with the suppression effect becoming more pronounced as the degree of CSRO increases.CSRO can change the types of interstitial defects generated during cascade collisions.Specifically,as the degree of CSRO increases,the proportion of Ti-related interstitials shows a marked enhancement,primarily evidenced by a significant rise in Ti–Ti dumbbells accompanied by a corresponding decrease in Ti–V dumbbells.CSRO exhibits negligible influence on defect clustering and the nucleation and evolution of dislocation loops.Regardless of CSRO conditions,TiVTaNb HEAs preserve exceptional radiation tolerance throughout the cascade damage process,suggesting that the intrinsic properties of this multi-principal element system dominate its radiation response.These findings provide fundamental insights into the CSRO effect on defect formation and evolution behaviors in HEAs,which may provide new design strategies for high-entropy alloys.展开更多
While 2D/3D heterostructures are widely employed to improve the stability of perovskite optoelectronic devices,their effectiveness is fundamentally governed by the crystallinity of the interfacial structure -a factor ...While 2D/3D heterostructures are widely employed to improve the stability of perovskite optoelectronic devices,their effectiveness is fundamentally governed by the crystallinity of the interfacial structure -a factor often overlooked.Disordered interfaces exhibit thermodynamic metastability,where ion diffusion induces sequential phase transitions from low-n to high-n phases.Here,we construct atomically ordered 2D/3D interfaces using phase-pure 2D perovskite capping layers,which reduce the interfacial phase transition rate by 95%and effectively suppress ion migration.As a result,devices exhibit outstanding operational stability,retaining over 99%of their initial power conversion efficiency after 1500 h of continuous operation,along with excellent thermal durability at 85℃.These findings identify interfacial order as a critical parameter for regulating ion dynamics and phase behavior,providing a robust design principle for achieving high-efficiency,long-lifetime perovskite technologies.展开更多
To address the issue that hybrid flow shop production struggles to handle order disturbance events,a dynamic scheduling model was constructed.The model takes minimizing the maximum makespan,delivery time deviation,and...To address the issue that hybrid flow shop production struggles to handle order disturbance events,a dynamic scheduling model was constructed.The model takes minimizing the maximum makespan,delivery time deviation,and scheme deviation degree as the optimization objectives.An adaptive dynamic scheduling strategy based on the degree of order disturbance is proposed.An improved multi-objective Grey Wolf(IMOGWO)optimization algorithm is designed by combining the“job-machine”two-layer encoding strategy,the timing-driven two-stage decoding strategy,the opposition-based learning initialization population strategy,the POX crossover strategy,the dualoperation dynamic mutation strategy,and the variable neighborhood search strategy for problem solving.A variety of test cases with different scales were designed,and ablation experiments were conducted to verify the effectiveness of the improved strategies.The results show that each improved strategy can effectively enhance the performance of the IMOGWO.Additionally,performance analysis was conducted by comparing the proposed algorithm with three mature and classical algorithms.The results demonstrate that the proposed algorithm exhibits superior performance in solving the hybrid flow-shop scheduling problem(HFSP).Case validations were conducted for different types of order disturbance scenarios.The results demonstrate that the proposed adaptive dynamic scheduling strategy and the IMOGWO algorithm can effectively address order disturbance events.They enable rapid response to order disturbance while ensuring the stability of the production system.展开更多
基金supported by the National Key R&D Program of China(2020YFA0711502)the National Natural Science Foundation of China(51972299,52003265,52202052,52273234,52273239,52373310).Fei Pan is supported by the Xiaomi Young Talents Program.
文摘The search for novel carbons has been an important research topic for developing high-performance anodes of lithium-ion batteries(LIBs)and sodium-ion batteries(SIBs).In this study,we fabricated a new carbon,long-range ordered porous carbon(LOPC),by inducing covalent bonds between face-centered cubic C_(60)(fcc C_(60))cages in a molecular crystal via electron injection under vacuum at~520°C.The LOPC maintains the periodic lattice of the fcc C_(60)molecular crystal but has improved structural stability and electrical conductivity because of the sp^(2)bonding formed between C_(60)molecules.Compared with fcc C_(60),which has a much greater specific surface area(327.1 m^(2)·g^(−1)),LOPC has a specific capacity of 820.9 mA·h·g^(−1)or 292.9 mA·h·g^(−1)as an anode for LIBs or SIBs,both of which are measured at a current density of 0.1 A·g^(−1).This porous yet ordered carbon may open new opportunities for anode materials in electrochemical energy storage.
基金financially supported by the National Natural Science Foundation of China(Nos.21274148 and 21074135)The experimental setup at the Nanofocus Endstation of MiNaXS was funded by the German Federal Ministry of Education and Research(projects BMBF 05KS7FK1 and 05K10FK3)
文摘Long-range ordered nanostructures are prepared in the poly（styrene）-block-poly（e-caprolactone） diblock copolymer thin films using micromolding. We evaluated the change in crystallinity based on grazing-incidence X-ray diffraction and proved that the crystallinity increased with the decrease of the mold size. This means that ordered nanostructures with atomic length scale order can be adjusted by tuning the mesoscale confinement. The inherent mechanism was the cooperation of geometric confinement, microphase structure and surface-induced ordering of PS-b-PCL in the melt, which paved the way for the subsequent crystal growth. These findings establish a route to promote the cost-effective nanofabrication by combining the mature microfabrication technique with the emerging directed self-assembly of block copolymers.
基金Supported by the Pandeng Projectthe National Natural Science Foundation of China under Grant No.19677202the Chinese Academy of Sciences。
文摘By applying Bogoliubov's ineguality to double-exchange(DE) ladders, we show that the ferromagnetic(FM) order is absent in the new DE systems at finite temperatures. The incorporation of Jahn-Teller electron-phonon coupling, orbital degeneracy and on-site Coulomb interaction with the DE interaction do not preserve these orders. The long-wavelength thermal fluctuations of the spins oversome the DEFM correlation and destroy the FM orders. The implication of the absence of FM order on the transport of the DE ladders is discussed.
文摘We investigate numerically the effects of long-range temporal and spatial correlations based on the rescaled distributions of the squared interface width W^(2)(L, t) and the interface height h(x, t)in the(1+1)-dimensional Kardar-Parisi-Zhang(KPZ) growth system within the early growth regime. Through extensive numerical simulations, we find that long-range temporally correlated noise does not significantly impact the distribution form of the interface width. Generally,W^(2)(L, t) approximately obeys a lognormal distribution when the temporal correlation exponentθ ≥0. On the other hand, the effects of long-range spatially correlated noise are evidently different from the temporally correlated case. Our results show that, when the spatial correlation exponent ρ ≤ 0.20, the distribution forms of W^(2)(L, t) approach the lognormal distribution, and when ρ > 0.20, the distribution becomes more asymmetric, steep, and fat-tailed, and tends to an unknown distribution form. As a comparison, probability distributions of the interface height are also provided in the temporally and spatially correlated KPZ system, exhibiting quite different characteristics from each other within the whole correlated strengths. For the temporal correlation, the height distributions follow Tracy-Widom Gaussian orthogonal ensemble(TW-GOE) when θ → 0, and with increasing θ, the height distributions crossover continuously to an unknown distribution. However, for the spatial correlation, the height distributions gradually transition from the TW-GOE distribution to the standard Gaussian form.
文摘In the field of intelligent air combat,real-time and accurate recognition of within-visual-range(WVR)maneuver actions serves as the foundational cornerstone for constructing autonomous decision-making systems.However,existing methods face two major challenges:traditional feature engineering suffers from insufficient effective dimensionality in the feature space due to kinematic coupling,making it difficult to distinguish essential differences between maneuvers,while end-to-end deep learning models lack controllability in implicit feature learning and fail to model high-order long-range temporal dependencies.This paper proposes a trajectory feature pre-extraction method based on a Long-range Masked Autoencoder(LMAE),incorporating three key innovations:(1)Random Fragment High-ratio Masking(RFH-Mask),which enforces the model to learn long-range temporal correlations by masking 80%of trajectory data while retaining continuous fragments;(2)Kalman Filter-Guided Objective Function(KFG-OF),integrating trajectory continuity constraints to align the feature space with kinematic principles;and(3)Two-stage Decoupled Architecture,enabling efficient and controllable feature learning through unsupervised pre-training and frozen-feature transfer.Experimental results demonstrate that LMAE significantly improves the average recognition accuracy for 20-class maneuvers compared to traditional end-to-end models,while significantly accelerating convergence speed.The contributions of this work lie in:introducing high-masking-rate autoencoders into low-informationdensity trajectory analysis,proposing a feature engineering framework with enhanced controllability and efficiency,and providing a novel technical pathway for intelligent air combat decision-making systems.
基金supported by the Chinese Academy of Science(CAS)Key Technology Talent Program(No.2021000022)。
文摘The synchrotron radiation beamline BL17B of the National Facility for Protein Science(NFPS)in Shanghai,situated at the Shanghai Synchrotron Radiation Facility(SSRF),was originally designed for diffraction experiments and accommodates techniques including single-crystal diffraction,powder diffraction,and grazing-incidence wide-angle X-ray scattering(GIWAXS)to enable the characterization of long-range ordered atomic structures.The academic community associated with BL17B engages in research domains encompassing biology,environment,energy,and materials,and a pronounced demand for characterizing short-range ordered structures exists.To address these requirements,BL17B established an advanced X-ray absorption fine structure(XAFS)experimental platform that enabled it to address a wide range of systems,from crystalline to amorphous and from long-range order to short-range order.The XAFS platform allows simultaneous XAFS data acquisition for both the transmission and fluorescence modes within an energy range of 5-23 keV,encompassing the K-edges of titanium to ruthenium and the L3-edges of cesium to bismuth.The platform exemplifies high levels of automation achieved through automated sample assessment and data collection based on large-capacity sample wheels that facilitate remote sample loading.When integrated with a highly integrated control system that simplifies experimental preparation and data collection,the XAFS platform significantly bolsters experimental efficiency and enhances user experience.Notably,the platform boasts an impressively low extended X-ray absorption fine structure(EXAFS)detection limit of 0.04 wt%for dilute copper phthalocyanine(CuPc)samples and an even more remarkable X-ray absorption near edge structure(XANES)detection threshold of 0.01 wt%.These results demonstrate the methodology?s reliability in low-concentration sample analysis,confirming its capability to generate high-quality XAFS data.
基金supported by the National Natural Science Foundation of China(22105218)Science and Technology Project of Jiangxi Provincial Education Department(GJJ2201525).
文摘The study of temperature-driven phase transitions is significant in phosphate chemistry,as these transitions often lead to unique physical properties for specific applications,such as catalysis,energy storage,ion conduction,and nonlinear optics[1–3].The phase transition from room temperature(RT)to high temperature(HT)in phosphates is always from periodic structures to disordered or amorphous states[4–8].At RT,phosphates often maintain a highly ordered crystalline structure,which is stabilized by the lower thermal energy.As the temperature increases,the thermal energy disrupts the periodic arrangement of atoms and leads to a phase transition,where the once ordered structure becomes increasingly disordered or even amorphous.
文摘The relationship between the structural stability and the long-range-order parameter of stoichiometry NiAl has been studied using effective atom model based on the embedded-atom-method(EAM) potential. The results obtained from the computation show that NiAl lacks a metastable disordered structure intrinsically, and has the stable ordered B2 phase,which are consistent with experimental results.
基金Project (No. 29892168) supported by the National Natural Science Foundation of China.
文摘It is shown that in the quantum structural approach to high-Tc superconductivity, the wave function in terms of the alternate molecular bonding geminals possesses off-diagonal long-range order (ODLRO).
文摘Long-range magnetic order appears on a side decorated Heisenberg spin nanoribbon at nonzero temperature,although no spontaneous magnetization exists in a one-or two-dimensional isotropic Heisenberg model at any nonzero temperature according to the Mermin-Wagner theorem.By use of the spin Green's function method,we calculated the magnetizations of Heisenberg nanoribbons decorated by side spins with single-ion anisotropy and found that the system exhibits a nonzero transition temperature,whether the decorated edge spins of the system link together or separate from each other.When the width of the nanoribbon achieves infinite limit,the transition temperatures of the system tend to the same finite constant eventually whether one edge or both edges are decorated by side spins in the nanoribbon.The results reveal that the magnetism of a low-dimensional spin system is different from that of a threedimensional spin system.When the single-ion anisotropy of edge spins in a Heisenberg spin nanoribbon can be modulated by an electric field experimentally,various useful long-range magnetic orders of the system can be obtained.This work can provide a detailed theoretical basis for designing and fabricating next-generation low-dimensional magnetic random-access memory.
基金supported by the National Natural Science Foundation of China(Nos.21573059,12274118 and 22208088)Henan Center for Outstanding Overseas Scientists(No.GZS2023007)Special Project for Fundamental Research in University of Henan Province(No.22ZX013)。
文摘Sluggish sulfur conversion kinetics pose an ongoing challenge in lithium-sulfur batteries(LSBs).Here,we present a solution through far-reaching long-range electronic regulation(LRER)on single-atom active sites.N-doped carbons(Co-NC)are implanted with densely-distributed Co single atoms,and supported on Ti_(3)C_(2)T_(x)MXene substrates to assemble 3D Co-NC/MXene catalyst.MXene effectively mediates interlayer charge transfer(~0.70|e|)contrasted with popular carbon materials(~0.06|e|)to produce LRER through surrounding carbon atoms.The synergy of LRER with near-range electronic regulation(NRER)tunes electronic structures,and enhances heterostructural stability,thus provoking desirous catalytic kinetics of Co single atoms in sulfur reduction.Thereby,the Co-NC/MXene/S cathodes exhibit impressive rate performance and excellent cycling stability(only 0.015%capacity decay per cycle over 600 cycles at 4 C)in LSBs,surpassing state-of-the-art sulfur cathodes.This work reveals the importance of LRER for improved catalysis,and provides new guidance to tailor heterostructures to achieve high-efficient catalysts in various process.
基金supports by the National Natural Science Foundation of China(NSFC,Grant No.52271113)the Natural Science Foundation of Shaanxi Province,China(2020JM 218)the Fundamental Research Funds for the Central Universities(CHD300102311405)。
文摘Catalysts with asymmetric coordination exhibit excellent electrocatalytic activity due to changes in the active sites,which affect the arrangement of reactants and catalytic activity/selectivity.Hence,the exploration of the inherent characteristics of active sites within diverse coordination environments holds great significance for the experimental design of catalytic structures.Single-atom catalysts(SACs)characterized by high coordination with four carbons(26 candidates)and low coordination with dinitrogen(27candidates)are constructed using nitrogen-doped graphdiyne derivatives(NGDY)as the substrate.Additionally,5 species of dual-atom catalysts(DACs)with coexistence of both high and low coordination sites are also developed and their nitrogen reduction reaction(NRR)activities are systematically investigated by density functional theory.The results indicate that metals with low coordination exhibit superior catalytic performance,such as Mo^(L)-NGDY(U_(L)=-0.30 V)and Nb^(L)-NGDY(U_(L)=-0.32 V).Furthermore,machine learning(ML)methods have deeply analyzed and elucidated the primary intrinsic characteristics that influence catalytic performance.These results not only unveil the underlying mechanisms behind the exceptional catalytic performance exhibited by low-coordination metal atoms,but also provide relevant and significant descriptors.More importantly,based on an investigation of the catalytic activity of a series of DACs,the“buffer and low-coordination accumulate”asymmetric coordination mechanism is proposed to unveil the long-range interactions between low and high coordination atoms.Due to this remote communication,MoNb-NGDY(U_(L)=-0.09/-0.37 V)exhibits the best NRR activity.This mechanism provides valuable insights into the origin of long-range bipartite interactions and inspires the design and synthesis of NRR catalysts with different coordination environments.
基金supported by the National Natural Science Foundation of China(Grant No.11962002)the Innovation Project of the Guangxi Graduate Education(Grant Nos.YCBZ2021021 and YCSW2022070).
文摘A Hamiltonian mean-field model with long-range four-body interactions is proposed.The model describes a long-range mean-field system in which N unit-mass particles move on a unit circle.Each particleθi interacts with any three other particles through an infinite-range cosine potential with an attractive interaction(ε>0).By applying a method that remaps the average phase of global particle pairs onto a new unit circle,and using the saddle-point technique,the partition function is solved analytically after introducing four-body interactions,yielding expressions for the free energy f and the energy per particle U.These results were further validated through numerical simulations.The results show that the system undergoes a second-order phase transition at the critical energy Uc.Specifically,the critical energy corresponds to U_(c)=0.32 when the coupling constantε=5,and U_(c)=0.63 whenε=10.Finally,we calculated the system’s largest Lyapunov exponentλand kinetic energy fluctuationsΣthrough numerical simulations.It is found that the peak of the largest Lyapunov exponentλoccurs slightly below the critical energy Uc,which is consistent with the point of maximum kinetic energy fluctuationsΣ.And there is a scaling law ofΣ/N^(1/2)∝λbetween them.
基金supported by the National Natural Science Foundation of China(Grant No.12375025).
文摘We investigate the parity-time(PT)symmetry-breaking quantum phase transition in a one-dimensional(1D)bosonic lattice featuring cavity-mediated long-range interactions and spatially staggered dissipation.By mapping the system to an effective spin chain under the constraints of hard-core bosons and integrating the mean-field decoupling approach with biorthogonal basis formalism,we derive a self-consistency equation.Numerical simulation results validate that the derived equation quantitatively captures thePT-symmetry order parameter’s phase diagram.Our findings reveal that coherent hopping maintainsPTsymmetry through quantum fluctuations.Conversely,cavity-engineered long-range interactions,in synergy with staggered dissipation,act in opposition to drive symmetry breaking.This competitive interplay can inspire further exploration of tunable quantum phase transitions in non-Hermitian systems.
基金supported by the Director General,Indian Council of Agricultural Research(ICAR),New Delhithe Director,ICAR-National Rice Research Institute,Cuttack.
文摘Consecutive stresses,such as initial submergence during germination followed by water deficit during the seedling stage,pose significant challenges to direct-seeded rice cultivation.By Linkage disequilibrium analysis,Sub1 and Dro1(Δbp:10 Mb),as well as Sub1 and TPP7(Δbp:6 Mb)were identified to exhibit long-range linkage disequilibrium(LRLD).Meta-QTL analysis further revealed that Sub1 and TPP7 co-segregated for tolerance to submergence at the germination and seedling stages.Based on this,we hypothesized that LRLD might influence plant responses to consecutive stresses.To test this hypothesis,we developed a structured recombinant inbred line population from a cross between Bhalum 2 and Nagina 22,with alleles(Sub1 and TPP7)in linkage equilibrium.Mendelian randomization analysis validated that the parental alleles,rather than the recombinant alleles of Sub1 and TPP7,significantly influenced 13 out of 41 traits under consecutive stress conditions.Additionally,16 minor additive effect QTLs were detected between the genomic regions,spanning Sub1 and TPP7 for various traits.A single allele difference between these genomic regions enhanced crown root number,root dry weight,and specific root area by 11.45%,15.69%,and 33.15%,respectively,under flooded germination conditions.Candidate gene analysis identified WAK79 and MRLK59 as regulators of stress responses during flooded germination,recovery,and subsequent water deficit conditions.These findings highlight the critical role of parental allele combinations and genomic regions between Sub1 and TPP7 in regulating the stress responses under consecutive stresses.Favourable haplotypes derived from these alleles can be utilized to improve stress resilience in direct-seeded rice.
文摘This paper studies high order compact finite volume methods on non-uniform meshes for one-dimensional elliptic and parabolic differential equations with the Robin boundary conditions.An explicit scheme and an implicit scheme are obtained by discretizing the equivalent integral form of the equation.For the explicit scheme with nodal values,the algebraic system can be solved by the Thomas method.For the implicit scheme with both nodal values and their derivatives,the system can be implemented by a prediction-correction procedure,where in the correction stage,an implicit formula for recovering the nodal derivatives is introduced.Taking two point boundary value problem as an example,we prove that both the explicit and implicit schemes are convergent with fourth order accuracy with respect to some standard discrete norms using the energy method.Two numerical examples demonstrate the correctness and effectiveness of the schemes,as well as the indispensability of using non-uniform meshes.
基金Funded by the Hubei Province Key Research Foundation for Water Resources,China(No.HBSLKY2023035)as well as by the Technology Foundation for Selected Overseas Scholars,Ministry of Human Resources and Social Security,China(No.[2013]277)+2 种基金the Natural Science Foundation of the Hubei Province of China(No.2014CFA094)the Overseas High-level Talents Scientific-research Starting Fund of Hubei University of Technology,China(HBUTscience-[2005]2)the National Natural Science Foundation of China(No.51703053)。
文摘When a ceramic ionic-crystal nanocluster is group-substituted with polymer chain segments to form an ionomeric aggregate,is the ordered structure maintained within the sterically hindered nanocluster?We observed,for Na-salt sulfonated polystyrene ionomer,the electron-diffraction lattice fringes of the nanoclusters,which proved their internal crystalline ordering driven by electrostatic attractions overcoming steric hindrance.Kinetically,the nanoclusters'enhanced melting endotherm upon aging indicate their quasi-,slow-ordering character.Extended tight binding molecular dynamics simulations provide an insight into the mechanism underlying the ionic-group aggregation during nanoclustering.We hence proposed an uncommon state of order,polymer-bound ceramic quasicrystal,supplementary to the order phenomena in crystalline ceramics.
基金Project supported by the Youth Program of the National Natural Science Foundation of China(Grant No.12405324)the CNNC Science Fund for Talented Young Scholars(Grant No.24940)the CNNC Basic Science Fund(Grant No.24851)。
文摘Molecular dynamics simulations were carried out to study the effect of chemical short-range order(CSRO)on the primary radiation damage in TiVTaNb high-entropy alloys(HEAs).We have performed displacement cascade simulations to explore the CSRO effect on the generation and evolution behaviors of irradiation defects.The results demonstrate that CSRO can suppress the formation of Frenkel pairs in TiVTaNb HEAs,with the suppression effect becoming more pronounced as the degree of CSRO increases.CSRO can change the types of interstitial defects generated during cascade collisions.Specifically,as the degree of CSRO increases,the proportion of Ti-related interstitials shows a marked enhancement,primarily evidenced by a significant rise in Ti–Ti dumbbells accompanied by a corresponding decrease in Ti–V dumbbells.CSRO exhibits negligible influence on defect clustering and the nucleation and evolution of dislocation loops.Regardless of CSRO conditions,TiVTaNb HEAs preserve exceptional radiation tolerance throughout the cascade damage process,suggesting that the intrinsic properties of this multi-principal element system dominate its radiation response.These findings provide fundamental insights into the CSRO effect on defect formation and evolution behaviors in HEAs,which may provide new design strategies for high-entropy alloys.
基金funding supported by the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB1140000)National Natural Science Foundation of China(22379156,U23A20141)+1 种基金Qingdao New Energy Shandong Laboratory(QIBEBT/SEI/QNESL S202305)Key R&D Program of Shandong Province,China(2024SFGC0102)。
文摘While 2D/3D heterostructures are widely employed to improve the stability of perovskite optoelectronic devices,their effectiveness is fundamentally governed by the crystallinity of the interfacial structure -a factor often overlooked.Disordered interfaces exhibit thermodynamic metastability,where ion diffusion induces sequential phase transitions from low-n to high-n phases.Here,we construct atomically ordered 2D/3D interfaces using phase-pure 2D perovskite capping layers,which reduce the interfacial phase transition rate by 95%and effectively suppress ion migration.As a result,devices exhibit outstanding operational stability,retaining over 99%of their initial power conversion efficiency after 1500 h of continuous operation,along with excellent thermal durability at 85℃.These findings identify interfacial order as a critical parameter for regulating ion dynamics and phase behavior,providing a robust design principle for achieving high-efficiency,long-lifetime perovskite technologies.
基金funded by National Key Research and Development Program Projects of China under Grant No.2020YFB1713500.
文摘To address the issue that hybrid flow shop production struggles to handle order disturbance events,a dynamic scheduling model was constructed.The model takes minimizing the maximum makespan,delivery time deviation,and scheme deviation degree as the optimization objectives.An adaptive dynamic scheduling strategy based on the degree of order disturbance is proposed.An improved multi-objective Grey Wolf(IMOGWO)optimization algorithm is designed by combining the“job-machine”two-layer encoding strategy,the timing-driven two-stage decoding strategy,the opposition-based learning initialization population strategy,the POX crossover strategy,the dualoperation dynamic mutation strategy,and the variable neighborhood search strategy for problem solving.A variety of test cases with different scales were designed,and ablation experiments were conducted to verify the effectiveness of the improved strategies.The results show that each improved strategy can effectively enhance the performance of the IMOGWO.Additionally,performance analysis was conducted by comparing the proposed algorithm with three mature and classical algorithms.The results demonstrate that the proposed algorithm exhibits superior performance in solving the hybrid flow-shop scheduling problem(HFSP).Case validations were conducted for different types of order disturbance scenarios.The results demonstrate that the proposed adaptive dynamic scheduling strategy and the IMOGWO algorithm can effectively address order disturbance events.They enable rapid response to order disturbance while ensuring the stability of the production system.
