The influence of electron-phonon interactions on third-harmonic generation in a square quantum well is investigated. The first- and third-harmonic generation coefficient is obtained by using compact-density-matrix app...The influence of electron-phonon interactions on third-harmonic generation in a square quantum well is investigated. The first- and third-harmonic generation coefficient is obtained by using compact-density-matrix approach and iterative method, and the numerical results are presented for a GaAs square quantum well. The results show that the third-harmonic generation coefficient is obviously enhanced after considering the influence of electron-phonon interactions.展开更多
Traditional ligand-field theory has to be improved by taking into account both 'pure electronic' contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of ...Traditional ligand-field theory has to be improved by taking into account both 'pure electronic' contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, R1, R2, R'3, R'2, and R'1 lines, U band, ground-state zero-field-splitting (GSZFS), and ground-state g factors of ruby and/or GSGG: Cr3+ as well as thermal shifts of GSZFS, R1 line and R2 line of ruby have been calculated.The results are in very good agreement with the experimental data. Moreover, it is found that the value of cubic-field parameter given by traditional ligand-field theory is inappropriately large. For thermal shifts of GSZFS, R1 line and R2 line of ruby, several conclusions have also been obtained.展开更多
The photo-induced ultrafast electron dynamics in both anatase and rutile TiO_(2) are investigated by using the Boltzmann transport equation with the explicit incorporation of electron-phonon scattering rates.All struc...The photo-induced ultrafast electron dynamics in both anatase and rutile TiO_(2) are investigated by using the Boltzmann transport equation with the explicit incorporation of electron-phonon scattering rates.All structural parameters required for dynamic simulations are obtained from ab initio calculations.The results show that although the longitudinal optical modes significantly affect the electron energy relaxation dynamics in both phases due to strong Fr?hlich-type couplings,the detailed relaxation mechanisms have obvious differences.In the case of a single band,the energy relaxation time in anatase is 24.0 fs,twice longer than 11.8 fs in rutile.This discrepancy is explained by the different diffusion distributions over the electronic Bloch states and different scattering contributions from acoustic modes in the two phases.As for the multiple-band situation involving the lowest six conduction bands,the predicted overall relaxation times are about 47 fs and 57 fs in anatase and rutile,respectively,very different from the case of the single band.The slower relaxation in rutile is attributed to the existence of multiple rate-controlled steps during the dynamic process.The present findings may be helpful to control the electron dynamics for designing efficient TiO_(2)-based devices.展开更多
The electron-phonon interaction influences on lineax and nonfineax optical absorption in cylindrical quantum wires （CQW） with an infinite confining potential axe investigated. The optical absorption coefficients are...The electron-phonon interaction influences on lineax and nonfineax optical absorption in cylindrical quantum wires （CQW） with an infinite confining potential axe investigated. The optical absorption coefficients are obtained by using the compact-density-matrix approach and iterative method, and the numerical results are presented for GaAs CQW. The results show that the electron-phonon interaction makes a distinct influence on optical absorption in CQW. The electron-phonon interaction on the wave functions of electron dominates the values of absorption coefficients and the correction of the electron-phonon effect on the energies of the electron makes the absorption peaks blue shift and become wider. Moreover, the electron-phonon interaction influence on optical absorption with an infinite confining potential is different from that with a finite confining potential.展开更多
The confined longitudinal-optical （LO） phonon and surface-optical （SO） phonon modes of a free-standing annular cylindrical quantum dot are derived within the framework of dielectric continuum approximation. It is ...The confined longitudinal-optical （LO） phonon and surface-optical （SO） phonon modes of a free-standing annular cylindrical quantum dot are derived within the framework of dielectric continuum approximation. It is found that there exist two types of SO phonon modes： top SO （TSO） mode and side SO（SSO） mode in a cylindrical quantum annulus. Numerical calculation on CdS annulus system has been performed. Results reveal that the two different solutions of SSO mode distribute mainly at the inner or outer surfaces of the annulus. The dispersion relations and the coupling intensions of phonons in a quantum annulus are compared with those in a cylindrical quantum dot. It is found that the dispersion relations of the two different structures are similar, but the coupling intension of the phonon-electron interaction in quantum annulus is larger than that in quantum dot. The Hamiltonians describing the free phonon modes and their interactions with electrons in the system are also derived.展开更多
Using an expression of optical conductivity,based on the linear response theory,the Green's function technique and within the Holstein Hamiltonian model,the effect of electron-phonon interaction on the optical con...Using an expression of optical conductivity,based on the linear response theory,the Green's function technique and within the Holstein Hamiltonian model,the effect of electron-phonon interaction on the optical conductivity of graphene plane is studied.It is found that the electron-phonon coupling increases the optical conductivity of graphene sheet in the low frequency region due to decreasing quasiparticle weight of electron excitation while the optical conductivity reduces in the high frequency region.The latter is due to role of electrical field's frequency.展开更多
XB_(2)(X=Mg and Al)compounds have drawn great attention for their superior electronic characteristics and potential applications in semiconductors and superconductors.The study of phonon thermal transport properties o...XB_(2)(X=Mg and Al)compounds have drawn great attention for their superior electronic characteristics and potential applications in semiconductors and superconductors.The study of phonon thermal transport properties of XB_(2)is significant to their application and mechanism behind research.In this work,the phonon thermal transport properties of three-dimensional(3D)and two-dimensional(2D)XB_(2)were studied by first-principles calculations.After considering the electron-phonon interaction(EPI),the thermal conductivities(TCs)of 3D Mg B_(2)and 3D Al B_(2)decrease by 29%and 16%which is consistent with experimental values.Moreover,the underlying mechanisms of reduction on lattice TCs are the decrease in phonon lifetime and heat capacity when considering quantum confinement effect.More importantly,we are surprised to find that there is a correlation between quantum confinement effect and EPI.The quantum confinement will change the phonon and electron characteristics which has an impact on EPI.Overall,our work is expected to provide insights into the phonon thermal transport properties of XB_(2)compounds considering EPI and quantum confinement effect.展开更多
By means of improved ligand-field theory, the ＂pure electronic＂ pressure-induced shift （PS） and the PS due to electron-phonon interaction （EPI） of R-line of MgO：Cr^3＋ have been calculated, respectively. The ca...By means of improved ligand-field theory, the ＂pure electronic＂ pressure-induced shift （PS） and the PS due to electron-phonon interaction （EPI） of R-line of MgO：Cr^3＋ have been calculated, respectively. The calculated results are in very good agreement with the experimental data. The behaviors of the pure electronic PS of R-line of MgO：Cr^3＋ and the PS of its R-line due to EPI are different. It is the combined effect of them that gives rise to the total PS of R-line, which has satisfactorily explained the experimental results. The comparison between the feature of R-line PS of MgO：Cr^3＋ and that of R1-line PS of ruby has been made.展开更多
Within the framework of the dielectric continuum model and Loudon ＇s uniaxial crystal model, the properties of frequency dispersion of the propagating （PR） optical phonon modes and the coupling functions of electro...Within the framework of the dielectric continuum model and Loudon ＇s uniaxial crystal model, the properties of frequency dispersion of the propagating （PR） optical phonon modes and the coupling functions of electron-PR phonons interaction in an asymmetrical wurtzite quantum well （QW） are deduced and analyzed via the method of electrostatic potential expanding. Numerical calculation on an asymmetrical Alo.25Gao.75N/GaN/Alo.15Gao.ssN wurtzite QW were performed. The results reveal that there are infinite branches of PR phonon modes in the systems. The behaviors of frequency forbidden of PR modes in the asymmetric QWs have been clearly observed. The mathematical and physical origins for these features have been analyzed in depth. The PR optical phonon branches have been distinguished and labelled reasonably in terms of the oscillating properties of the PR modes in the well-layer material. Moreover, the amplitudes and frequency properties of the electron-PR modes coupling functions in the barrier and well materials have also been analyzed from both of the mathematical and physical viewpoints.展开更多
The effects of electron-phonon interaction have to be taken into account for the physical process in a small system of condensed matters.The electron-phonon interaction in a I-D finite lattice system has been analyzed...The effects of electron-phonon interaction have to be taken into account for the physical process in a small system of condensed matters.The electron-phonon interaction in a I-D finite lattice system has been analyzed.The relation between the electron-phonon interaction and the symmetric properties of electronic states and phonons are considered,the transition probabilities are discussed.展开更多
We present our theoretical investigations on the effects of disorder on the electron-phonon interaction in semiconducting GaAs system. Both the temperature (T) and disorder (electron mean free path l) dependences of t...We present our theoretical investigations on the effects of disorder on the electron-phonon interaction in semiconducting GaAs system. Both the temperature (T) and disorder (electron mean free path l) dependences of the electron-phonon scattering rate have been determined. On consideration of the dynamic screening, we find a significant change in the temperature exponent as well as the pre factor from the earlier reported temperature power law dependence result ?T6 obtained under static screening. Also the dynamic screening makes a noticeable change in the character of the dependence of scattering rate on the mean free path from the static screening result.展开更多
Recycling of waste rubber(WR)is crucial for the sustainable development of the rubber industry.The enhancement of interfacial interactions is the main strategy for waste polymer recycling.However,there is a lack of me...Recycling of waste rubber(WR)is crucial for the sustainable development of the rubber industry.The enhancement of interfacial interactions is the main strategy for waste polymer recycling.However,there is a lack of methods for enhancing the interfacial interactions for WR recycling because WR contains abundant inert C―H bonds.Herein,we designed thioctic acid inverse vulcanization copolymers to endow recycled WR with dynamic disulfide interfacial interactions,significantly improving the mechanical properties of recycled WR.These disulfide interfacial interactions among the recycled WR tend to exchange,which dramatically increases the fractocohesive length and prevents stress concentration near the crack tips.When recycled WR is subjected to external stress,the loads are redistributed across a broad region of adjacent regions instead of being concentrated on a limited length scale,which resists crack propagation.This work effectively recycled WR,providing a strategy for solvent-free reaction-derived inverse vulcanization copolymers to improve the toughness of WR recycling.展开更多
This study examines the dynamic response of two adjacent 9-and 20-story benchmark steel buildings subjected to six near-fault earthquake records.Two-dimensional numerical models were employed to account for the comple...This study examines the dynamic response of two adjacent 9-and 20-story benchmark steel buildings subjected to six near-fault earthquake records.Two-dimensional numerical models were employed to account for the complexities of structure-soil-structure interaction(SSSI).The research focuses on the separation gap between the buildings and the effects of pounding while considering Fixed Base(FB)and SSSI models,evaluated according to UBC 94 and ASCE 7-16 seismic codes.Key findings reveal that pounding occurs with the UBC 94 separation gap when earthquake frequency aligns with system frequency,leading to increased column stresses in the 9-story building.In contrast,the ASCE 7-16 standard effectively prevents pounding in both the FB and SSSI models.Additionally,drifts and displacements of lower floors in SSSI models exceed the allowable limits of ASCE 7-16,underscoring the impact of soil-structure interaction on seismic response.展开更多
Developing effective,versatile,and high-precision sensing interfaces remains a crucial challenge in human-machine-environment interaction applications.Despite progress in interaction-oriented sensing skins,limitations...Developing effective,versatile,and high-precision sensing interfaces remains a crucial challenge in human-machine-environment interaction applications.Despite progress in interaction-oriented sensing skins,limitations remain in unit-level reconfiguration,multiaxial force and motion sensing,and robust operation across dynamically changing or irregular surfaces.Herein,we develop a reconfigurable omnidirectional triboelectric whisker sensor array(RO-TWSA)comprising multiple sensing units that integrate a triboelectric whisker structure(TWS)with an untethered hydro-sealing vacuum sucker(UHSVS),enabling reversibly portable deployment and omnidirectional perception across diverse surfaces.Using a simple dual-triangular electrode layout paired with MXene/silicone nanocomposite dielectric layer,the sensor unit achieves precise omnidirectional force and motion sensing with a detection threshold as low as 0.024 N and an angular resolution of 5°,while the UHSVS provides reliable and reversible multi-surface anchoring for the sensor units by involving a newly designed hydrogel combining high mechanical robustness and superior water absorption.Extensive experiments demonstrate the effectiveness of RO-TWSA across various interactive scenarios,including teleoperation,tactile diagnostics,and robotic autonomous exploration.Overall,RO-TWSA presents a versatile and high-resolution tactile interface,offering new avenues for intelligent perception and interaction in complex real-world environments.展开更多
Cubic-shaped magnetic particles subjected to a dimensionless uniaxial anisotropy(Q=0.1)aligned with one of the crystallographic axes provide an ideal system for investigating magnetic equilibrium states.In this system...Cubic-shaped magnetic particles subjected to a dimensionless uniaxial anisotropy(Q=0.1)aligned with one of the crystallographic axes provide an ideal system for investigating magnetic equilibrium states.In this system,three fundamental magnetization configurations are identified:(i)the flower state,(ii)the twisted flower state,and(iii)the vortex state.This problem corresponds to standard problem No.3 proposed by the NIST Micromagnetics Modeling Group,widely adopted as a benchmark for validating computational micromagnetics methods.In this work,we approach the problem using a computational method based on direct dipolar interactions,in contrast to conventional techniques that typically compute the demagnetizing field via finite difference-based fast Fourier transform(FFT)methods,tensor grid approaches,or finite element formulations.Our results are compared with established literature data,focusing on the dimensionless parameterλ=L/l_(ex),where L is the cube edge length and l_(ex)is the exchange length of the material.To analyze equilibrium state transitions,we systematically varied the size L as a function of the simulation cell number N and intercellular spacing a,determining the criticalλvalue associated with configuration changes.Our simulations reveal that the transition between the twisted flower and vortex states occurs atλ≈8.45,consistent with values reported in the literature,validating our code(Grupo de Física da Matéeria Condensada-UFJF),and shows that this standard problem can be resolved using only interaction dipolar of a direct way without the need for sophisticated additional calculations.展开更多
Metal-support interaction(MSI) is crucial for fine-tuning the active-site structure of supported catalysts and enhancing performance.Here,we present an ammonia-directed reactive gas-metal-support interaction(RGMSI),in...Metal-support interaction(MSI) is crucial for fine-tuning the active-site structure of supported catalysts and enhancing performance.Here,we present an ammonia-directed reactive gas-metal-support interaction(RGMSI),in which NH_(3) reduces ZnO and assembles an anti-perovskite Ni_(3)ZnN structure with interstitial nitrogen,significantly boosting hydrogenation efficiency.Nitrogen incorporation expands the lattice parameter,increasing the(111) lattice spacing from 2.04Å in Ni to 2.18Å in Ni_(3)ZnN,with an extended Ni-Ni interatomic distance from 2.49Å to 2.65Å.Additionally,Ni-N coordination shifts the d-band center downward and induces electron deficiency in Ni via charge transfer.These modifications optimize reactant adsorption on the tailored Ni_(3)ZnN structure compared to Ni,leading to a remarkable increase in 1,3-butadiene hydrogenation selectivity from 30.0 % to 92.9 %,along with an enhanced TOF from 0.067 s^(-1) to 0.079 s^(-1).These findings highlight RGMSI as a versatile and effective strategy for designing supported metal catalysts,offering new insights into selective hydrogenation catalysis.展开更多
Luminescent metal-organic frameworks(MOFs)have garnered significant attention due to their structural tunability and potential applications in solid-state lighting,bioimaging,sensing,anticounterfeiting,and other field...Luminescent metal-organic frameworks(MOFs)have garnered significant attention due to their structural tunability and potential applications in solid-state lighting,bioimaging,sensing,anticounterfeiting,and other fields.Nevertheless,due to the tendency of1,4-benzenedicarboxylic acid(BDC)to rotate within the framework,MOFs composed of it exhibit significant non-radiative energy dissipation and thus impair the emissive properties.In this study,efficient luminescence of MIL-140A nanocrystals(NCs)with BDC rotors as ligands is achieved by pressure treatment strategy.Pressure treatment effectively modulates the pore structure of the framework,enhancing the interactions between the N,N-dimethylformamide vip molecules and the BDC ligands.The enhanced host-vip interaction contributes to the structural rigidity of the MOF,thereby suppressing the rotation-induced excited-state energy loss.As a result,the pressure-treated MIL-140A NCs displayed bright blue-light emission,with the photoluminescence quantum yield increasing from an initial 6.8%to 69.2%.This study developed an effective strategy to improve the luminescence performance of rotor ligand MOFs,offers a new avenue for the rational design and synthesis of MOFs with superior luminescent properties.展开更多
Owing to intensified globalization and informatization,the structures of the urban scale hierarchy and urban networks between cities have become increasingly intertwined,resulting in different spatial effects.Therefor...Owing to intensified globalization and informatization,the structures of the urban scale hierarchy and urban networks between cities have become increasingly intertwined,resulting in different spatial effects.Therefore,this paper analyzes the spatial interaction between urban scale hierarchy and urban networks in China from 2019 to 2023,drawing on Baidu migration data and employing a spatial simultaneous equation model.The results reveal a significant positive spatial correlation between cities with higher hierarchy and those with greater network centrality.Within a static framework,we identify a positive interaction between urban scale hierarchy and urban network centrality,while their spatial cross-effects manifest as negative neighborhood interactions based on geographical distance and positive cross-scale interactions shaped by network connections.Within a dynamic framework,changes in urban scale hierarchy and urban networks are mutually reinforcing,thereby widening disparities within the urban hierarchy.Furthermore,an increase in a city’s network centrality had a dampening effect on the population growth of neighboring cities and network-connected cities.This study enhances understanding of the spatial organisation of urban systems and offers insights for coordinated regional development.展开更多
Based on the Smit-Suhl formula,we propose a universal approach for solving the magnon-magnon coupling problem in bilayer coupled systems(e.g.,antiferromagnets).This method requires only the energy expression,enabling ...Based on the Smit-Suhl formula,we propose a universal approach for solving the magnon-magnon coupling problem in bilayer coupled systems(e.g.,antiferromagnets).This method requires only the energy expression,enabling the automatic derivation of analytical expressions for the eigenmatrix elements via symbolic computation,eliminating the need for tedious manual calculations.Using this approach,we investigate the impact of magnetic hysteresis on magnon-magnon coupling in a system with interlayer Dzyaloshinskii-Moriya interaction(DMI).The magnetic hysteresis leads to an asymmetric magnetic field dependence of the resonance frequency and alters the number of degeneracy points between the pure optical and acoustic modes.Moreover,it can result in the coupling strength at the gap of the f–H phase diagram being nearly vanishing,contrary to the conventionally expected maximum.These results deepen the understanding of the effect of interlayer DMI on magnon–magnon coupling and the proposed universal method significantly streamlines the solving process of magnon–magnon coupling problems.展开更多
Beryllium-containing sludge(BCS)is a typical hazardous waste from Be smelting,which can cause serious harm to ecology and human health by releasing harmful Be if it is stored long-term in environment.Nonetheless,the o...Beryllium-containing sludge(BCS)is a typical hazardous waste from Be smelting,which can cause serious harm to ecology and human health by releasing harmful Be if it is stored long-term in environment.Nonetheless,the occurrence of Be in BCS is unclear,which seriously hinders the development of pollution control technologies.In order to enhance the understanding of BCS,the occurrence of Be and the microscale interactions with coexisting phases were investigated for the first time.It was found that CaSO_(4)·2H_(2)O and amorphous SiO_(2) are the primary phases of BCS.The simulated experiments of purified materials showed that Be interacted with CaSO_(4)·2H_(2)O and amorphous SiO_(2).Be can enter into the lattice of CaSO_(4)·2H_(2)O mainly as free Be2+.Amorphous SiO_(2) can adsorb Be2+particularly at a pH range of 3–5.The dissolution behavior experiment of BCS shows that about 52%of the Be is readily extracted under acidic conditions,which refers to the Be of independent occurrence.In contrast,the remaining 48%of Be can be extracted only after the CaSO_(4)·2H_(2)O has completely dissolved.Hence,CaSO_(4)·2H_(2)O is identified as the key occurrence phase which determines the highly efficient dissolution of Be.As a result,this study enhances the understanding of BCS and lays the foundation for the development of Be separation technologies.展开更多
基金The project supported by National Natural Science Foundation of China under Grant No. 60478010, the Science and Technology Committee of Guangdong Province of China under Grant Nos. 2004B10301014 and 04105406, Science and Technology Bureau of Guangzhou under Grant Nos. 200J1-C0031 and 2004J1-C0226, and Education Bureau of Guangzhou under Grant No. 2024
文摘The influence of electron-phonon interactions on third-harmonic generation in a square quantum well is investigated. The first- and third-harmonic generation coefficient is obtained by using compact-density-matrix approach and iterative method, and the numerical results are presented for a GaAs square quantum well. The results show that the third-harmonic generation coefficient is obviously enhanced after considering the influence of electron-phonon interactions.
文摘Traditional ligand-field theory has to be improved by taking into account both 'pure electronic' contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, R1, R2, R'3, R'2, and R'1 lines, U band, ground-state zero-field-splitting (GSZFS), and ground-state g factors of ruby and/or GSGG: Cr3+ as well as thermal shifts of GSZFS, R1 line and R2 line of ruby have been calculated.The results are in very good agreement with the experimental data. Moreover, it is found that the value of cubic-field parameter given by traditional ligand-field theory is inappropriately large. For thermal shifts of GSZFS, R1 line and R2 line of ruby, several conclusions have also been obtained.
基金supported by the National Natural Science Foundation of China(No.22033006,No.21833006 and No.21773191)。
文摘The photo-induced ultrafast electron dynamics in both anatase and rutile TiO_(2) are investigated by using the Boltzmann transport equation with the explicit incorporation of electron-phonon scattering rates.All structural parameters required for dynamic simulations are obtained from ab initio calculations.The results show that although the longitudinal optical modes significantly affect the electron energy relaxation dynamics in both phases due to strong Fr?hlich-type couplings,the detailed relaxation mechanisms have obvious differences.In the case of a single band,the energy relaxation time in anatase is 24.0 fs,twice longer than 11.8 fs in rutile.This discrepancy is explained by the different diffusion distributions over the electronic Bloch states and different scattering contributions from acoustic modes in the two phases.As for the multiple-band situation involving the lowest six conduction bands,the predicted overall relaxation times are about 47 fs and 57 fs in anatase and rutile,respectively,very different from the case of the single band.The slower relaxation in rutile is attributed to the existence of multiple rate-controlled steps during the dynamic process.The present findings may be helpful to control the electron dynamics for designing efficient TiO_(2)-based devices.
基金Scientific Research Fired of the Education Department of Zhejiang Province of China
文摘The electron-phonon interaction influences on lineax and nonfineax optical absorption in cylindrical quantum wires （CQW） with an infinite confining potential axe investigated. The optical absorption coefficients are obtained by using the compact-density-matrix approach and iterative method, and the numerical results are presented for GaAs CQW. The results show that the electron-phonon interaction makes a distinct influence on optical absorption in CQW. The electron-phonon interaction on the wave functions of electron dominates the values of absorption coefficients and the correction of the electron-phonon effect on the energies of the electron makes the absorption peaks blue shift and become wider. Moreover, the electron-phonon interaction influence on optical absorption with an infinite confining potential is different from that with a finite confining potential.
基金the Scientific and Technology Project of Guangzhou Municipal Government under Grant No.2004J1-C0327
文摘The confined longitudinal-optical （LO） phonon and surface-optical （SO） phonon modes of a free-standing annular cylindrical quantum dot are derived within the framework of dielectric continuum approximation. It is found that there exist two types of SO phonon modes： top SO （TSO） mode and side SO（SSO） mode in a cylindrical quantum annulus. Numerical calculation on CdS annulus system has been performed. Results reveal that the two different solutions of SSO mode distribute mainly at the inner or outer surfaces of the annulus. The dispersion relations and the coupling intensions of phonons in a quantum annulus are compared with those in a cylindrical quantum dot. It is found that the dispersion relations of the two different structures are similar, but the coupling intension of the phonon-electron interaction in quantum annulus is larger than that in quantum dot. The Hamiltonians describing the free phonon modes and their interactions with electrons in the system are also derived.
文摘Using an expression of optical conductivity,based on the linear response theory,the Green's function technique and within the Holstein Hamiltonian model,the effect of electron-phonon interaction on the optical conductivity of graphene plane is studied.It is found that the electron-phonon coupling increases the optical conductivity of graphene sheet in the low frequency region due to decreasing quasiparticle weight of electron excitation while the optical conductivity reduces in the high frequency region.The latter is due to role of electrical field's frequency.
基金financially supported by the National Natural Science Foundation of China(Nos.51720105007,52076031 and 51806031)the Fundamental Research Funds for the Central Universities(No.DUT19RC(3)006)the computing resources from Super-computing Center of Dalian University of Technology。
文摘XB_(2)(X=Mg and Al)compounds have drawn great attention for their superior electronic characteristics and potential applications in semiconductors and superconductors.The study of phonon thermal transport properties of XB_(2)is significant to their application and mechanism behind research.In this work,the phonon thermal transport properties of three-dimensional(3D)and two-dimensional(2D)XB_(2)were studied by first-principles calculations.After considering the electron-phonon interaction(EPI),the thermal conductivities(TCs)of 3D Mg B_(2)and 3D Al B_(2)decrease by 29%and 16%which is consistent with experimental values.Moreover,the underlying mechanisms of reduction on lattice TCs are the decrease in phonon lifetime and heat capacity when considering quantum confinement effect.More importantly,we are surprised to find that there is a correlation between quantum confinement effect and EPI.The quantum confinement will change the phonon and electron characteristics which has an impact on EPI.Overall,our work is expected to provide insights into the phonon thermal transport properties of XB_(2)compounds considering EPI and quantum confinement effect.
文摘By means of improved ligand-field theory, the ＂pure electronic＂ pressure-induced shift （PS） and the PS due to electron-phonon interaction （EPI） of R-line of MgO：Cr^3＋ have been calculated, respectively. The calculated results are in very good agreement with the experimental data. The behaviors of the pure electronic PS of R-line of MgO：Cr^3＋ and the PS of its R-line due to EPI are different. It is the combined effect of them that gives rise to the total PS of R-line, which has satisfactorily explained the experimental results. The comparison between the feature of R-line PS of MgO：Cr^3＋ and that of R1-line PS of ruby has been made.
基金The project supported by the Science and Technology Project of Adwnced Academy of Guangzhou City under Grant No. 2060, National Natural Science Foundation of China under Grant Nos. 60276004 and 60390073, and the Scientific Research Foundation for the Returned 0verseas Chinese Scholars of the Ministry of Education of China
文摘Within the framework of the dielectric continuum model and Loudon ＇s uniaxial crystal model, the properties of frequency dispersion of the propagating （PR） optical phonon modes and the coupling functions of electron-PR phonons interaction in an asymmetrical wurtzite quantum well （QW） are deduced and analyzed via the method of electrostatic potential expanding. Numerical calculation on an asymmetrical Alo.25Gao.75N/GaN/Alo.15Gao.ssN wurtzite QW were performed. The results reveal that there are infinite branches of PR phonon modes in the systems. The behaviors of frequency forbidden of PR modes in the asymmetric QWs have been clearly observed. The mathematical and physical origins for these features have been analyzed in depth. The PR optical phonon branches have been distinguished and labelled reasonably in terms of the oscillating properties of the PR modes in the well-layer material. Moreover, the amplitudes and frequency properties of the electron-PR modes coupling functions in the barrier and well materials have also been analyzed from both of the mathematical and physical viewpoints.
文摘The effects of electron-phonon interaction have to be taken into account for the physical process in a small system of condensed matters.The electron-phonon interaction in a I-D finite lattice system has been analyzed.The relation between the electron-phonon interaction and the symmetric properties of electronic states and phonons are considered,the transition probabilities are discussed.
文摘We present our theoretical investigations on the effects of disorder on the electron-phonon interaction in semiconducting GaAs system. Both the temperature (T) and disorder (electron mean free path l) dependences of the electron-phonon scattering rate have been determined. On consideration of the dynamic screening, we find a significant change in the temperature exponent as well as the pre factor from the earlier reported temperature power law dependence result ?T6 obtained under static screening. Also the dynamic screening makes a noticeable change in the character of the dependence of scattering rate on the mean free path from the static screening result.
基金financially supported by the National Natural Science Foundation of China(No.52363007)。
文摘Recycling of waste rubber(WR)is crucial for the sustainable development of the rubber industry.The enhancement of interfacial interactions is the main strategy for waste polymer recycling.However,there is a lack of methods for enhancing the interfacial interactions for WR recycling because WR contains abundant inert C―H bonds.Herein,we designed thioctic acid inverse vulcanization copolymers to endow recycled WR with dynamic disulfide interfacial interactions,significantly improving the mechanical properties of recycled WR.These disulfide interfacial interactions among the recycled WR tend to exchange,which dramatically increases the fractocohesive length and prevents stress concentration near the crack tips.When recycled WR is subjected to external stress,the loads are redistributed across a broad region of adjacent regions instead of being concentrated on a limited length scale,which resists crack propagation.This work effectively recycled WR,providing a strategy for solvent-free reaction-derived inverse vulcanization copolymers to improve the toughness of WR recycling.
文摘This study examines the dynamic response of two adjacent 9-and 20-story benchmark steel buildings subjected to six near-fault earthquake records.Two-dimensional numerical models were employed to account for the complexities of structure-soil-structure interaction(SSSI).The research focuses on the separation gap between the buildings and the effects of pounding while considering Fixed Base(FB)and SSSI models,evaluated according to UBC 94 and ASCE 7-16 seismic codes.Key findings reveal that pounding occurs with the UBC 94 separation gap when earthquake frequency aligns with system frequency,leading to increased column stresses in the 9-story building.In contrast,the ASCE 7-16 standard effectively prevents pounding in both the FB and SSSI models.Additionally,drifts and displacements of lower floors in SSSI models exceed the allowable limits of ASCE 7-16,underscoring the impact of soil-structure interaction on seismic response.
基金supported by the National Natural Science Foundation of China(General Program)under Grant 52571385National Key R&D Program of China(Grant No.2024YFC2815000 and No.2024YFB3816000)+12 种基金Open Fund of State Key Laboratory of Deep-sea Manned Vehicles(Grant No.2025SKLDMV07)Shenzhen Science and Technology Program(WDZC20231128114452001,JCYJ20240813112107010 and JCYJ20240813111910014)the Tsinghua SIGS Scientific Research Startup Fund(QD2022021C)the Dreams Foundation of Jianghuai Advance Technology Center(2023-ZM 01 Z006)the Ocean Decade International Cooperation Center(ODCC)(GHZZ3702840002024020000026)Shenzhen Key Laboratory of Advanced Technology for Marine Ecology(ZDSYS20230626091459009)Shenzhen Science and Technology Program(No.KJZD20240903100905008)the National Natural Science Foundation of China(No.22305141)Pearl River Talent Program(No.2023QN10C114)General Program of Guangdong Province(No.2025A1515011700)the Guangdong Innovative and Entrepreneurial Research Team Program(2023ZT10C040)Scientific Research Foundation from Shenzhen Finance Bureau(No.GJHZ20240218113600002)Tsinghua University(JC2023001).
文摘Developing effective,versatile,and high-precision sensing interfaces remains a crucial challenge in human-machine-environment interaction applications.Despite progress in interaction-oriented sensing skins,limitations remain in unit-level reconfiguration,multiaxial force and motion sensing,and robust operation across dynamically changing or irregular surfaces.Herein,we develop a reconfigurable omnidirectional triboelectric whisker sensor array(RO-TWSA)comprising multiple sensing units that integrate a triboelectric whisker structure(TWS)with an untethered hydro-sealing vacuum sucker(UHSVS),enabling reversibly portable deployment and omnidirectional perception across diverse surfaces.Using a simple dual-triangular electrode layout paired with MXene/silicone nanocomposite dielectric layer,the sensor unit achieves precise omnidirectional force and motion sensing with a detection threshold as low as 0.024 N and an angular resolution of 5°,while the UHSVS provides reliable and reversible multi-surface anchoring for the sensor units by involving a newly designed hydrogel combining high mechanical robustness and superior water absorption.Extensive experiments demonstrate the effectiveness of RO-TWSA across various interactive scenarios,including teleoperation,tactile diagnostics,and robotic autonomous exploration.Overall,RO-TWSA presents a versatile and high-resolution tactile interface,offering new avenues for intelligent perception and interaction in complex real-world environments.
基金CAPES,CNPq,and FAPEMIG(Brazilian Agencies)for their financial support。
文摘Cubic-shaped magnetic particles subjected to a dimensionless uniaxial anisotropy(Q=0.1)aligned with one of the crystallographic axes provide an ideal system for investigating magnetic equilibrium states.In this system,three fundamental magnetization configurations are identified:(i)the flower state,(ii)the twisted flower state,and(iii)the vortex state.This problem corresponds to standard problem No.3 proposed by the NIST Micromagnetics Modeling Group,widely adopted as a benchmark for validating computational micromagnetics methods.In this work,we approach the problem using a computational method based on direct dipolar interactions,in contrast to conventional techniques that typically compute the demagnetizing field via finite difference-based fast Fourier transform(FFT)methods,tensor grid approaches,or finite element formulations.Our results are compared with established literature data,focusing on the dimensionless parameterλ=L/l_(ex),where L is the cube edge length and l_(ex)is the exchange length of the material.To analyze equilibrium state transitions,we systematically varied the size L as a function of the simulation cell number N and intercellular spacing a,determining the criticalλvalue associated with configuration changes.Our simulations reveal that the transition between the twisted flower and vortex states occurs atλ≈8.45,consistent with values reported in the literature,validating our code(Grupo de Física da Matéeria Condensada-UFJF),and shows that this standard problem can be resolved using only interaction dipolar of a direct way without the need for sophisticated additional calculations.
基金the financial support provided by the National Natural Science Foundation of China (Nos.22072164,22472180,22002173)Energy Revolution S&T Program of Yulin Innovation Institute of Clean Energy (No.E411030705)+2 种基金Natural Science Foundation of Liaoning Province (No.2022-MS004)China Postdoctoral Science Foundation (No.2020M680999)the Research Fund of Shenyang National Laboratory for Materials Science。
文摘Metal-support interaction(MSI) is crucial for fine-tuning the active-site structure of supported catalysts and enhancing performance.Here,we present an ammonia-directed reactive gas-metal-support interaction(RGMSI),in which NH_(3) reduces ZnO and assembles an anti-perovskite Ni_(3)ZnN structure with interstitial nitrogen,significantly boosting hydrogenation efficiency.Nitrogen incorporation expands the lattice parameter,increasing the(111) lattice spacing from 2.04Å in Ni to 2.18Å in Ni_(3)ZnN,with an extended Ni-Ni interatomic distance from 2.49Å to 2.65Å.Additionally,Ni-N coordination shifts the d-band center downward and induces electron deficiency in Ni via charge transfer.These modifications optimize reactant adsorption on the tailored Ni_(3)ZnN structure compared to Ni,leading to a remarkable increase in 1,3-butadiene hydrogenation selectivity from 30.0 % to 92.9 %,along with an enhanced TOF from 0.067 s^(-1) to 0.079 s^(-1).These findings highlight RGMSI as a versatile and effective strategy for designing supported metal catalysts,offering new insights into selective hydrogenation catalysis.
基金supported by the National Key R&D Program of China(Grant No.2023YFA1406200)the National Natural Science Foundation of China(No.12274177 and 12304261)the China Postdoctoral Science Foundation(No.2024M751076)。
文摘Luminescent metal-organic frameworks(MOFs)have garnered significant attention due to their structural tunability and potential applications in solid-state lighting,bioimaging,sensing,anticounterfeiting,and other fields.Nevertheless,due to the tendency of1,4-benzenedicarboxylic acid(BDC)to rotate within the framework,MOFs composed of it exhibit significant non-radiative energy dissipation and thus impair the emissive properties.In this study,efficient luminescence of MIL-140A nanocrystals(NCs)with BDC rotors as ligands is achieved by pressure treatment strategy.Pressure treatment effectively modulates the pore structure of the framework,enhancing the interactions between the N,N-dimethylformamide vip molecules and the BDC ligands.The enhanced host-vip interaction contributes to the structural rigidity of the MOF,thereby suppressing the rotation-induced excited-state energy loss.As a result,the pressure-treated MIL-140A NCs displayed bright blue-light emission,with the photoluminescence quantum yield increasing from an initial 6.8%to 69.2%.This study developed an effective strategy to improve the luminescence performance of rotor ligand MOFs,offers a new avenue for the rational design and synthesis of MOFs with superior luminescent properties.
基金Under the auspices of the National Natural Science Foundation of China(No.42371222,41971167)Fundamental Scientific Research Funds of Central China Normal University(No.CCNU24ZZ120)。
文摘Owing to intensified globalization and informatization,the structures of the urban scale hierarchy and urban networks between cities have become increasingly intertwined,resulting in different spatial effects.Therefore,this paper analyzes the spatial interaction between urban scale hierarchy and urban networks in China from 2019 to 2023,drawing on Baidu migration data and employing a spatial simultaneous equation model.The results reveal a significant positive spatial correlation between cities with higher hierarchy and those with greater network centrality.Within a static framework,we identify a positive interaction between urban scale hierarchy and urban network centrality,while their spatial cross-effects manifest as negative neighborhood interactions based on geographical distance and positive cross-scale interactions shaped by network connections.Within a dynamic framework,changes in urban scale hierarchy and urban networks are mutually reinforcing,thereby widening disparities within the urban hierarchy.Furthermore,an increase in a city’s network centrality had a dampening effect on the population growth of neighboring cities and network-connected cities.This study enhances understanding of the spatial organisation of urban systems and offers insights for coordinated regional development.
基金supported by the National Key Research and Development Program of China (MOST)(Grant No.2022YFA1402800)the Chinese Academy of Sciences (CAS) Presidents International Fellowship Initiative (PIFI)(Grant No.2025PG0006)+3 种基金the National Natural Science Foundation of China (NSFC)(Grant Nos.51831012,12274437,and 52161160334)the CAS Project for Young Scientists in Basic Research (Grant No.YSBR-084)the CAS Youth Interdisciplinary Teamthe China Postdoctoral Science Foundation (Grant No.2025M773402)。
文摘Based on the Smit-Suhl formula,we propose a universal approach for solving the magnon-magnon coupling problem in bilayer coupled systems(e.g.,antiferromagnets).This method requires only the energy expression,enabling the automatic derivation of analytical expressions for the eigenmatrix elements via symbolic computation,eliminating the need for tedious manual calculations.Using this approach,we investigate the impact of magnetic hysteresis on magnon-magnon coupling in a system with interlayer Dzyaloshinskii-Moriya interaction(DMI).The magnetic hysteresis leads to an asymmetric magnetic field dependence of the resonance frequency and alters the number of degeneracy points between the pure optical and acoustic modes.Moreover,it can result in the coupling strength at the gap of the f–H phase diagram being nearly vanishing,contrary to the conventionally expected maximum.These results deepen the understanding of the effect of interlayer DMI on magnon–magnon coupling and the proposed universal method significantly streamlines the solving process of magnon–magnon coupling problems.
基金supported by the National Natural Science Foundation of China(No.22276219)the foundation for Innovative Research Groups of the National Natural Science Foundation of China(No.52121004)+1 种基金the major program Natural Science Foundation of Hunan Province of China(No.2021JC0001)the Fundamental Research Funds for the Central Universities of Central South University(No.2024ZZTS0063).
文摘Beryllium-containing sludge(BCS)is a typical hazardous waste from Be smelting,which can cause serious harm to ecology and human health by releasing harmful Be if it is stored long-term in environment.Nonetheless,the occurrence of Be in BCS is unclear,which seriously hinders the development of pollution control technologies.In order to enhance the understanding of BCS,the occurrence of Be and the microscale interactions with coexisting phases were investigated for the first time.It was found that CaSO_(4)·2H_(2)O and amorphous SiO_(2) are the primary phases of BCS.The simulated experiments of purified materials showed that Be interacted with CaSO_(4)·2H_(2)O and amorphous SiO_(2).Be can enter into the lattice of CaSO_(4)·2H_(2)O mainly as free Be2+.Amorphous SiO_(2) can adsorb Be2+particularly at a pH range of 3–5.The dissolution behavior experiment of BCS shows that about 52%of the Be is readily extracted under acidic conditions,which refers to the Be of independent occurrence.In contrast,the remaining 48%of Be can be extracted only after the CaSO_(4)·2H_(2)O has completely dissolved.Hence,CaSO_(4)·2H_(2)O is identified as the key occurrence phase which determines the highly efficient dissolution of Be.As a result,this study enhances the understanding of BCS and lays the foundation for the development of Be separation technologies.
