In this paper,the local fractional natural decomposition method(LFNDM)is used for solving a local fractional Poisson equation.The local fractional Poisson equation plays a significant role in the study of a potential ...In this paper,the local fractional natural decomposition method(LFNDM)is used for solving a local fractional Poisson equation.The local fractional Poisson equation plays a significant role in the study of a potential field due to a fixed electric charge or mass density distribution.Numerical examples with computer simulations are presented in this paper.The obtained results show that LFNDM is effective and convenient for application.展开更多
Any polyhedron accommodates a type of potential theoretic skeleton called a mother body. The study of such mother bodies was originally from Mathematical Physics, initiated by Zidarov [1] and developed by Bjö...Any polyhedron accommodates a type of potential theoretic skeleton called a mother body. The study of such mother bodies was originally from Mathematical Physics, initiated by Zidarov [1] and developed by Björn Gustafson and Makoto Sakai [2]. In this paper, we attempt to apply the brilliant idea of mother body to Electrostatics to compute the potentials of electric fields.展开更多
The national standardization technical committee on electrostatics,SAC/TC 597,was set up by Standardization Administration of China(SAC)recently.The Ministry of Industry and Information Technology(MIIT)is in charge of...The national standardization technical committee on electrostatics,SAC/TC 597,was set up by Standardization Administration of China(SAC)recently.The Ministry of Industry and Information Technology(MIIT)is in charge of its routine management and operational guidance,and China Electronics Standardization Institute(CESl)undertakes the secretariat.展开更多
Wepresent a new approach to constructmachine-learned interatomic potentials including long-range electrostatic interactions based on a charge equilibration scheme.This new approach can accurately describe the potentia...Wepresent a new approach to constructmachine-learned interatomic potentials including long-range electrostatic interactions based on a charge equilibration scheme.This new approach can accurately describe the potential energy surface of systems with ionic and covalent interactions as well as systems with multiple charge states.Moreover,it can either be regressed against known atomic charge decompositions or trained without charge targets,without compromising the accuracy of energy and forces.We benchmark our approach against other state-of-the-art models and prove it to have equivalent performances on a set of simple reference systems while being less computationally expensive.Finally,we demonstrate the accuracy of our approach on complex systems:solid and liquid state sodium chloride.We attain accuracy in energy and forces better than the model based on local descriptors and show that our electrostatic approach can capture the density functional theory tail of the potential energy surface of the isolated Na-Cl dimer,which the local descriptor-based model fails to describe.展开更多
A mobile Coulomb gas permeating a fixed background crystalline lattice of charged colloidal crystals is subject to an electrostatic-elastic coupling,which we study on the continuum level by introducing a minimal coupl...A mobile Coulomb gas permeating a fixed background crystalline lattice of charged colloidal crystals is subject to an electrostatic-elastic coupling,which we study on the continuum level by introducing a minimal coupling between electrostatic and displacement fields.We derive linearized,Debye–Hückel-like mean-field equations that can be analytically solved,incorporating the minimal coupling between electrostatic and displacement fields leading to an additional effective attractive interaction between mobile charges that depends in general on the strength of the coupling between the electrostatic and displacement fields.By analyzing the Gaussian fluctuations around the mean-field solution we also identify and quantify the region of its stability in terms of the electrostatic-elastic screening length.This detailed continuum theory incorporating the standard lattice elasticity and electrostatics of mobile charges provides a baseline to investigate the electrostatic-elastic coupling for microscopic models in colloid science and materials science.展开更多
Currently,the demand for electromagnetic wave(EMW)absorbing materials with specific functions and capable of withstanding harsh environments is becoming increasingly urgent.Multi-component interface engineering is con...Currently,the demand for electromagnetic wave(EMW)absorbing materials with specific functions and capable of withstanding harsh environments is becoming increasingly urgent.Multi-component interface engineering is considered an effective means to achieve high-efficiency EMW absorption.However,interface modulation engineering has not been fully discussed and has great potential in the field of EMW absorption.In this study,multi-component tin compound fiber composites based on carbon fiber(CF)substrate were prepared by electrospinning,hydrothermal synthesis,and high-temperature thermal reduction.By utilizing the different properties of different substances,rich heterogeneous interfaces are constructed.This effectively promotes charge transfer and enhances interfacial polarization and conduction loss.The prepared SnS/SnS_(2)/SnO_(2)/CF composites with abundant heterogeneous interfaces have and exhibit excellent EMW absorption properties at a loading of 50 wt%in epoxy resin.The minimum reflection loss(RL)is−46.74 dB and the maximum effective absorption bandwidth is 5.28 GHz.Moreover,SnS/SnS_(2)/SnO_(2)/CF epoxy composite coatings exhibited long-term corrosion resistance on Q235 steel surfaces.Therefore,this study provides an effective strategy for the design of high-efficiency EMW absorbing materials in complex and harsh environments.展开更多
To study the influence of silicon(Si)on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20),NC/CL-20 composite explosives and Si/NC/CL-20 composite explosives were prepared by the electrostatic spraying ...To study the influence of silicon(Si)on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20),NC/CL-20 composite explosives and Si/NC/CL-20 composite explosives were prepared by the electrostatic spraying method.The morphology,structure and thermal decomposition properties of the samples were analyzed using scanning electron microscopy(SEM),X-ray energy spectroscopy(EDS),infrared spectroscopy(FT-IR),and simultaneous thermal analyzer(TG-DSC).Additionally,the combustion process of the samples was tested using a high-speed camera.The results show that the addition of nano-Si contributes to the formation of composite explosives with regular morphology and smaller particle size.The Si/NC/CL-20 composite explosive has better and more uniform sphericity,with an average particle size of 73.4 nm,compared to the NC/CL-20 composite explosive.The Si/NC/CL-20 composite explosive which produced by the electrostatic spraying method,achieves physically uniform distribution of the components including NC,CL-20,Si.The addition of Si promotes the thermal decomposition of CL-20.In comparison to the NC/CL-20 composite explosive,the activation energy of the Si/NC/CL-20 composite explosive decreases by 16.78 kJ/mol,and the self-accelerated decomposition temperature and the critical temperature of thermal explosion decreases by 3.12 K and 2.61 K,respectively.Furthermore,Si/NC/CL-20 composite explosive has shorter ignition delay time and faster combustion rate compared to the NC/CL-20 composite explosive,which shows that Si can improve the combustion performance of CL-20.展开更多
Non-hermiticity presents a vast newly opened territory that harbors new physics and applications such as lasing and sensing.However,only non-Hermitian systems with real eigenenergies are stable,and great efforts have ...Non-hermiticity presents a vast newly opened territory that harbors new physics and applications such as lasing and sensing.However,only non-Hermitian systems with real eigenenergies are stable,and great efforts have been devoted in designing them through enforcing parity-time(PT)symmetry.In this work,we exploit a lesser-known dynamical mechanism for enforcing real-spectra,and develop a comprehensive and versatile approach for designing new classes of parent Hamiltonians with real spectra.Our design approach is based on a new electrostatics analogy for modifed non-Hermitian bulk-boundary correspondence,where electrostatic charge corresponds to density of states and electric felds correspond to complex spectral fow.As such,Hamiltonians of any desired spectra and state localization profle can be reverse-engineered,particularly those without any guiding symmetry principles.By recasting the diagonalization of non-Hermitian Hamiltonians as a Poisson boundary value problem,our electrostatics analogy also transcends the gain/loss-induced compounding of foating-point errors in traditional numerical methods,thereby allowing access to far larger system sizes.展开更多
We present a novel method for designing transformation optical devices based on electrostatics.An arbi-trary transformation of electrostatic field can lead to a new refractive index distribution,where wave-fronts and ...We present a novel method for designing transformation optical devices based on electrostatics.An arbi-trary transformation of electrostatic field can lead to a new refractive index distribution,where wave-fronts and energy flux lines correspond to equipotential surfaces and electrostatic flux lines,respectively.Owing to scalar wave propagating exactly following an eikonal equation,wave optics and geometric optics share the same solutions in the devices.The method is utilized to design multipole lenses derived from multipoles in electrostatics.The source and drain in optics are considered as corre-sponding to positive charge and negative charge in the static field.By defining winding numbers in vir-tual and physical spaces,we explain the reason for some multipole lenses with illusion effects.Besides,we introduce an equipotential absorber to replace the drain to correspond to a negative charge with a grounded conductor.Therefore,it is a very general platform to design intriguing devices based on the combination of electrostatics and transformation optics.展开更多
A new VMD plugin that interfaces with DelPhi to provide ensemble-averaged electrostatic calculations using the Poisson-Boltzmann equation is presented.The general theory and context of this approach are discussed,and ...A new VMD plugin that interfaces with DelPhi to provide ensemble-averaged electrostatic calculations using the Poisson-Boltzmann equation is presented.The general theory and context of this approach are discussed,and examples of the plugin interface and calculations are presented.This new tool is applied to systems of current biological interest,obtaining the ensemble-averaged electrostatic properties of the two major influenza virus glycoproteins,hemagglutinin and neuraminidase,from explicitly solvated all-atom molecular dynamics trajectories.The differences between the ensemble-averaged electrostatics and those obtained from a single structure are examined in detail for these examples,revealing how the plugin can be a powerful tool in facilitating the modeling of electrostatic interactions in biological systems.展开更多
The liquid Zr_(100-x)V_(x)(x=8.6,16.5,30)alloys were undercooled to the maximum undercooling of 364 K(0.18 T_(L)),405 K(0.21 T_(L)),and 375 K(0.21 T_(L)),respectively,by using electrostatic levitation technique.The Zr...The liquid Zr_(100-x)V_(x)(x=8.6,16.5,30)alloys were undercooled to the maximum undercooling of 364 K(0.18 T_(L)),405 K(0.21 T_(L)),and 375 K(0.21 T_(L)),respectively,by using electrostatic levitation technique.The Zr_(91.4)V_(8.6) and Zr_(83.5)V_(16.5) alloys present only one recalescence during liquid/solid phase transition,while the Zr_(70)V_(30) alloy presents a transformation from two recalescence to one recalescence phenomenon with a critical undercooling of approximately 300 K.According to the LKT/BCT model,the calculated results of the primary β-Zr dendrite growth velocity in undercooled liquid Zr_(91.4)V_(8.6) and Zr_(83.5)V_(16.5) alloys agree well with the experiments.The velocity inflection points at 119 K of Zr_(91.4)V_(8.6) alloy and 201 K of Zr_(83.5)V_(16.5) alloy could be explained by the competition between solutal undercooling control and thermal undercooling control modes.For Zr_(70)V_(30) alloy solidified in the P1 with twice recalescence,a critical second undercooling of 253 K and corresponding undercooling of 65 and 244 K are obtained.When the un-dercooling is in the range of 65-244 K,the second undercooling would be greater than 253 K,and the residual liquid phase would solidify into anomalous eutectic microstructure for Zr_(70)V_(30) alloy.The Vickers hardness of Zr_(100-x)V_(x)(x=8.6,16.5,30)alloys all show a quadratic relationship with undercooling.Under electrostatic levitation condition,the mechanical property of Zr-V alloys could be significantly regulated through solidifying the alloys at different undercoolings.展开更多
To explore the electrostatic discharge behavior of charged powders in industrial silos,discharge experiments are conducted based on a full-size industrial silo discharge platform.Electrostatic discharge mode,frequency...To explore the electrostatic discharge behavior of charged powders in industrial silos,discharge experiments are conducted based on a full-size industrial silo discharge platform.Electrostatic discharge mode,frequency,and energy are investigated for powders of different polarities.Although the powders have low charge-to-mass ratios(+0.087μC/kg for the positively charged powders and−0.26μC/kg for the negatively charged ones),electrostatic discharges occur approximately every 10 s,with the maximum discharge energy being 800 mJ.Powder polarity considerably influences discharge energy.The positive powders exhibit higher discharge energy than the negative ones,although discharge frequency remains similar for both.Effects of powder charge,humidity,and mass flow on discharge frequency and discharge energy are quantitatively analyzed,providing important insights for the improvement of safety in industrial powder handling.展开更多
For nano-collision, regulating the interaction between nanoparticles(NPs) and electrode interfaces is crucial for the precise analysis of individual NPs. However, existing ultramicroelectrodes(UMEs) suffer from narrow...For nano-collision, regulating the interaction between nanoparticles(NPs) and electrode interfaces is crucial for the precise analysis of individual NPs. However, existing ultramicroelectrodes(UMEs) suffer from narrow electrochemical window and poor electrode interface adhesion, severely hindering the application of precise single NP analysis. Here, we propose a simple and effective interface modification strategy. By electrochemically self-assembling poly(diallyldimethylammonium chloride)(PC) on the surface of carbon nanocone electrodes(CNCEs), we successfully prepared PC-modified CNCEs(PC–CNCEs). These electrodes not only possess sufficiently wide electrochemical window but also exhibit strong adhesion to negatively charged Ag NPs on their surfaces. Surface physical analysis and electrochemical molecule detection validated the high-density loading of PC on the modified electrodes. Furthermore, the working principle of PC–CNCEs for single Ag NP collision detection was further verified through the techniques of nanocollision and double-potential steps. Leveraging these significant advantages, PC–CNCEs not only achieved precise measurements of single or mixed-sized Ag NPs but also detected Ag NP solutions at concentrations as low as fmol/L levels. This advancement offers a new strategy for the rapid and precise analysis of NP colloids.展开更多
In order to support the physical research on the EAST tokamak,a new positive ion source with designed beam energy of 120 keV was proposed to be developed.Accelerator structure is one of the key components of the ion s...In order to support the physical research on the EAST tokamak,a new positive ion source with designed beam energy of 120 keV was proposed to be developed.Accelerator structure is one of the key components of the ion source.Through the finite element analysis method,the electrostatic analyses of insulators and grid plates were carried out,the material and structure parameters of insulators were determined.The maximum electric field around each insulator is about 4 kV/mm,and the maximum electric field between grids is about 14 kV/mm,which can meet the 120 keV withstand voltage holding.The insulation system for the positive ion source accelerator with 120 keV is designed,and the connection and basic parameters of insulators and support flanges are analyzed and determined.展开更多
The search for photoactive materials that are able to efficiently produce solar fuels is a growing research field to tackle the current energy crisis.Herein,we have prepared two ionic non-noble metallo-supramolecular ...The search for photoactive materials that are able to efficiently produce solar fuels is a growing research field to tackle the current energy crisis.Herein,we have prepared two ionic non-noble metallo-supramolecular polymers Se-MTpy(M=Co or Ni),and constructed their composites with single-walled carbon nanotubes(CNTs)via electrostatic attraction andπ-πinteractions for efficient and stable photocatalytic hydrogen evolution.In the photocatalytic system,the cationic Se-MTpy as host and anionic CNTs as vip are assembled into a binary composite,which exhibits superior photocatalytic activity under visible light irradiation(>420 nm).The optimized CNT@Se-CoTpy composite,containing 1.2 wt%metal loading,achieves 7 times higher hydrogen evolution rate(2.47 mmol g^(-1)h^(-1))than bare Se-CoTpy(0.35 mmol g^(-1)h^(-1)).This is attributed to the constructive formation of junctions between polymer and CNTs,facilitating interfacial charge transfer and transport for efficient proton reduction.The composite system also shows high photostability after continuous irradiation for~30 h.The combination of experimental and theoretical analysis demonstrates the higher activity for reducing H_(2)O to H_(2)of Se-CoTpy than Se-NiTpy.The feasible interfacial architecture proposed in this study represents an effective approach to achieve high photocatalytic performance.展开更多
Rechargeable lithium-carbon dioxide(Li-CO_(2))batteries have emerged as a highly promising approach to simultaneously address energy shortages and the greenhouse effect.However,certain limitations exist in Li-CO_(2)ba...Rechargeable lithium-carbon dioxide(Li-CO_(2))batteries have emerged as a highly promising approach to simultaneously address energy shortages and the greenhouse effect.However,certain limitations exist in Li-CO_(2)batteries like high charge overpotential and unstable Li metal interface,which adversely affect the energy efficiency and cycling life.The incorporation of soluble redox mediators(RMs)has proven effective in enhancing the charge transfer between lithium carbonate(Li_(2)CO_(3))and cathode,thereby substantially reducing the charge overpotential.Nevertheless,the severe shuttle effect of RMs results in the reactions with Li anode,not only exacerbating the corrosion of Li anode but also leading to the depletion of RMs and electrical energy efficiency.In this work,an organic compound containing large cation group,1-ethyl-3-methylimidazole bromide(EMIBr)is proposed as the defense donor RM for Li anode in Li-CO_(2)batteries to address the above problems simultaneously.During charging,Li_(2)CO_(3)oxidation kinetics can be accelerated by bromide anion pair(Br_(3)^(−)/Br^(−)).Meanwhile,the cations(EMI^(+))are preferentially adsorbed around the protruding tips of Li anode through electrostatic interaction driven by surface free energy,forming protective layers that effectively inhibit further Li deposition at these tips,which is verified by DFT calculations.Additionally,Li dendrites growth is inhibited by the electrostatic repulsion of polar groups in EMIBr,resulting in uniform Li deposition.Consequently,a lower overpotential(∼1.17 V)and a longer cycle life(∼200 cycles)have been obtained for Li-CO_(2)battery incorporating EMIBr.展开更多
By encapsulating nanoscale particles of goethite(α-FeO(OH)),hydrous ceric oxide(CeO_(2)·H_(2)O,HCO)and silver nanoparticles(AgNPs)in the pores of polystyrene anion exchanger D201,a novel nanocomposite FeO(OH)-HC...By encapsulating nanoscale particles of goethite(α-FeO(OH)),hydrous ceric oxide(CeO_(2)·H_(2)O,HCO)and silver nanoparticles(AgNPs)in the pores of polystyrene anion exchanger D201,a novel nanocomposite FeO(OH)-HCO-Ag-D201 was prepared for the effective removal of arsenic from water.The isotherm study shows that FeO(OH)-HCO-Ag-D201 has excellent adsorption performance for As(III)and As(V),with an increased adsorption capacity of As(III)to 40.12 mg/g compared to that of 22.03 mg/g by the composite adsorbent without AgNPs(FeO(OH)-HCO-D201).The adsorption kinetics data showed that the sorption rate of FeO(OH)-HCO-Ag-D201 for As(III)is less than that for As(V),and the adsorption of As(III)and As(V)were consistent with the pseudo-second-order model and the pseudofirst-order model,respectively.Neutral or basic conditions are favored for the adsorption of As(III/V)by FeO(OH)-HCO-Ag-D201.Compared with nitrate/chloride/bicarbonate,sulfate/silicate/phosphate showed more remarkable inhibition of arsenic removal by FeO(OH)-HCO-Ag-D201,whereas natural organic matter showed no interference to the arsenic removal.The As(V)adsorption involved different interactions such as electrostatic attraction and surface complexation,while the adsorption of As(III)involved the part oxidization of As(III)to As(V)and the simultaneous adsorption of As(III)and As(V).In addition to the Ce(IV)in CeO_(2)·H_(2)O acted as an oxidant,the synergistic effect ofα-FeO(OH)and AgNPs also contributed to the oxidization of As(III)to As(V).Moreover,the reusable property suggested that this FeO(OH)-HCO-Ag-D201 nanocomposite has great potential for arsenic-contaminated water purification.展开更多
A theoretical study of the influence of a quasi-electrostatic support on the amplification level of the slow space charge wave(SCW) in the amplification section of a superheterodyne free electron laser(FEL) was carrie...A theoretical study of the influence of a quasi-electrostatic support on the amplification level of the slow space charge wave(SCW) in the amplification section of a superheterodyne free electron laser(FEL) was carried out. One of the ways to significantly increase the saturation level of the slow SCW is maintaining the conditions of a three-wave parametric resonance between the slow, fast SCWs and the resulting pump electric field. This can be done by introducing the quasielectrostatic support in the superheterodyne FEL amplification section. Also, it was found that the generated pump electric field significantly influences the maintenance of parametric resonance conditions. As a result, this increases the saturation level of the slow SCW by 70%. Finally, the quasi-electrostatic support significantly reduces the maximum value of the electrostatic undulator pump field strength, which is necessary to achieve the maximum saturation level of the slow SCW.展开更多
Calculating the inter-layer ion diffusion barrier, a crucial metric for evaluating the rate performance of 2D electrode materials, is time-consuming using the transition state search approach. A novel electrostatic po...Calculating the inter-layer ion diffusion barrier, a crucial metric for evaluating the rate performance of 2D electrode materials, is time-consuming using the transition state search approach. A novel electrostatic potential distribution image (EPDI) transfer learning method has been proposed to efficiently and accurately predict the lithium diffusion barriers on metal element-doped transition metal dichalcogenide (TMD) surfaces. Through the analysis of the mean electrostatic potential (MEP) around binding sites, a positive correlation between binding energy and MEP in VIB-TMDs was identified. Subsequently, transfer learning techniques were used to develop a DenseNet121-TL model for establishing a more accurate mapping between the binding energy and electrostatic potential distribution. Trained on training sets containing 33% and 50% transition state search calculation results, which save 66% and 50% of the calculation time, respectively, the model achieves accurate predictions of the saddle point binding energy with mean absolute errors (MAEs) of 0.0444 and 0.0287 eV on the testing set. Based on the prediction of saddle point binding energies, we obtained a diffusion minimum energy profile with an MAE of 0.0235 eV. Furthermore, by analyzing the diffusion data, we observed that the diffusion barrier was lowered by 10% on V-doped TiS2 compared to the stoichiometric surface. Our findings are expected to provide new insights for the high-throughput calculation of ion diffusion on 2D materials.展开更多
To investigate the differences in combustion and energy release characteristics of metastable intermolecular composite materials composed of aluminum alloys and polyvinylidene fluoride(PVDF)with different compositions...To investigate the differences in combustion and energy release characteristics of metastable intermolecular composite materials composed of aluminum alloys and polyvinylidene fluoride(PVDF)with different compositions,two types of alloys were selected:Al-Mg and Al-Si.Pure aluminum powder of the same size was also chosen for comparison.The PVDF-coated metal particle composites and the mixtures of PVDF with metal particles were prepared using electrospray(ES)and physical blending methods(PM),respectively.A systematic study was conducted on the morphology,compositional structure,combustion performance,energy release characteristics,and thermal reactivity of the fabricated composites and their combustion products through scanning electron microscopy(SEM),energy-dispersive X-ray spectroscopy(EDS),X-ray diffraction(XRD),combustion performance experiments,closed vessel pressure tests,and simultaneous thermogravimetric-differential scanning calorimetry(TG-DSC).The experimental results indicated that the PVDF-coated metal particles prepared by the electrospray method exhibited a distinct core-shell structure,with the metal particles in close contact with the PVDF matrix.Compared to the PM blended materials,the ES composites demonstrated superior combustion performance and energy release characteristics during combustion.Analysis of different metal fuel systems under identical preparation conditions revealed that Al-Mg and Al-Si fuels modulate the combustion and energy release properties of aluminum alloy-PVDF MICs through two distinct pathways.展开更多
文摘In this paper,the local fractional natural decomposition method(LFNDM)is used for solving a local fractional Poisson equation.The local fractional Poisson equation plays a significant role in the study of a potential field due to a fixed electric charge or mass density distribution.Numerical examples with computer simulations are presented in this paper.The obtained results show that LFNDM is effective and convenient for application.
文摘Any polyhedron accommodates a type of potential theoretic skeleton called a mother body. The study of such mother bodies was originally from Mathematical Physics, initiated by Zidarov [1] and developed by Björn Gustafson and Makoto Sakai [2]. In this paper, we attempt to apply the brilliant idea of mother body to Electrostatics to compute the potentials of electric fields.
文摘The national standardization technical committee on electrostatics,SAC/TC 597,was set up by Standardization Administration of China(SAC)recently.The Ministry of Industry and Information Technology(MIIT)is in charge of its routine management and operational guidance,and China Electronics Standardization Institute(CESl)undertakes the secretariat.
基金supported by the European Commission through the MaX Centre of Excellence(grant number 824143)supported by the European Commission through the MAX Centre of Excellence for supercomputing applications(grant numbers 10109337 and 824143)by the Italian MUR,through the Italian National Centre from HPC,Big Data,and Quantum Computing(grant number CN00000013).
文摘Wepresent a new approach to constructmachine-learned interatomic potentials including long-range electrostatic interactions based on a charge equilibration scheme.This new approach can accurately describe the potential energy surface of systems with ionic and covalent interactions as well as systems with multiple charge states.Moreover,it can either be regressed against known atomic charge decompositions or trained without charge targets,without compromising the accuracy of energy and forces.We benchmark our approach against other state-of-the-art models and prove it to have equivalent performances on a set of simple reference systems while being less computationally expensive.Finally,we demonstrate the accuracy of our approach on complex systems:solid and liquid state sodium chloride.We attain accuracy in energy and forces better than the model based on local descriptors and show that our electrostatic approach can capture the density functional theory tail of the potential energy surface of the isolated Na-Cl dimer,which the local descriptor-based model fails to describe.
基金HW is partially supported by the open research fund of Songshan Lake Materials Laboratory No.2023SLABFN20the General Program of National Natural Science Foundation of China(NSFC)under Grant No.12374210+2 种基金the startup fund under Grant No.WIUCASQD2022005 from Wenzhou Institute University of Chinese Academy of Sciences(WIU-CAS)Z-CO-Y was supported by the Major Program of the NSFC under Grant No.22193032RP acknowledges the support of UCAS and funding from the Key Program of NSFC under Grant No.12034019.
文摘A mobile Coulomb gas permeating a fixed background crystalline lattice of charged colloidal crystals is subject to an electrostatic-elastic coupling,which we study on the continuum level by introducing a minimal coupling between electrostatic and displacement fields.We derive linearized,Debye–Hückel-like mean-field equations that can be analytically solved,incorporating the minimal coupling between electrostatic and displacement fields leading to an additional effective attractive interaction between mobile charges that depends in general on the strength of the coupling between the electrostatic and displacement fields.By analyzing the Gaussian fluctuations around the mean-field solution we also identify and quantify the region of its stability in terms of the electrostatic-elastic screening length.This detailed continuum theory incorporating the standard lattice elasticity and electrostatics of mobile charges provides a baseline to investigate the electrostatic-elastic coupling for microscopic models in colloid science and materials science.
基金financially supported by the National Natural Science Foundation of China(No.52377026 and No.52301192)Taishan Scholars and Young Experts Program of Shandong Province(No.tsqn202103057)+4 种基金Postdoctoral Fellowship Program of CPSF under Grant Number(No.GZB20240327)Shandong Postdoctoral Science Foundation(No.SDCXZG-202400275)Qingdao Postdoctoral Application Research Project(No.QDBSH20240102023)China Postdoctoral Science Foundation(No.2024M751563)the Qingchuang Talents Induction Program of Shandong Higher Education Institution(Research and Innovation Team of Structural-Functional Polymer Composites).
文摘Currently,the demand for electromagnetic wave(EMW)absorbing materials with specific functions and capable of withstanding harsh environments is becoming increasingly urgent.Multi-component interface engineering is considered an effective means to achieve high-efficiency EMW absorption.However,interface modulation engineering has not been fully discussed and has great potential in the field of EMW absorption.In this study,multi-component tin compound fiber composites based on carbon fiber(CF)substrate were prepared by electrospinning,hydrothermal synthesis,and high-temperature thermal reduction.By utilizing the different properties of different substances,rich heterogeneous interfaces are constructed.This effectively promotes charge transfer and enhances interfacial polarization and conduction loss.The prepared SnS/SnS_(2)/SnO_(2)/CF composites with abundant heterogeneous interfaces have and exhibit excellent EMW absorption properties at a loading of 50 wt%in epoxy resin.The minimum reflection loss(RL)is−46.74 dB and the maximum effective absorption bandwidth is 5.28 GHz.Moreover,SnS/SnS_(2)/SnO_(2)/CF epoxy composite coatings exhibited long-term corrosion resistance on Q235 steel surfaces.Therefore,this study provides an effective strategy for the design of high-efficiency EMW absorbing materials in complex and harsh environments.
基金National Natural Science Foundation of China(No.22275150)。
文摘To study the influence of silicon(Si)on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20),NC/CL-20 composite explosives and Si/NC/CL-20 composite explosives were prepared by the electrostatic spraying method.The morphology,structure and thermal decomposition properties of the samples were analyzed using scanning electron microscopy(SEM),X-ray energy spectroscopy(EDS),infrared spectroscopy(FT-IR),and simultaneous thermal analyzer(TG-DSC).Additionally,the combustion process of the samples was tested using a high-speed camera.The results show that the addition of nano-Si contributes to the formation of composite explosives with regular morphology and smaller particle size.The Si/NC/CL-20 composite explosive has better and more uniform sphericity,with an average particle size of 73.4 nm,compared to the NC/CL-20 composite explosive.The Si/NC/CL-20 composite explosive which produced by the electrostatic spraying method,achieves physically uniform distribution of the components including NC,CL-20,Si.The addition of Si promotes the thermal decomposition of CL-20.In comparison to the NC/CL-20 composite explosive,the activation energy of the Si/NC/CL-20 composite explosive decreases by 16.78 kJ/mol,and the self-accelerated decomposition temperature and the critical temperature of thermal explosion decreases by 3.12 K and 2.61 K,respectively.Furthermore,Si/NC/CL-20 composite explosive has shorter ignition delay time and faster combustion rate compared to the NC/CL-20 composite explosive,which shows that Si can improve the combustion performance of CL-20.
基金supported by Singapore’s MOE Tier I grant WBS No.A-800022-00-00。
文摘Non-hermiticity presents a vast newly opened territory that harbors new physics and applications such as lasing and sensing.However,only non-Hermitian systems with real eigenenergies are stable,and great efforts have been devoted in designing them through enforcing parity-time(PT)symmetry.In this work,we exploit a lesser-known dynamical mechanism for enforcing real-spectra,and develop a comprehensive and versatile approach for designing new classes of parent Hamiltonians with real spectra.Our design approach is based on a new electrostatics analogy for modifed non-Hermitian bulk-boundary correspondence,where electrostatic charge corresponds to density of states and electric felds correspond to complex spectral fow.As such,Hamiltonians of any desired spectra and state localization profle can be reverse-engineered,particularly those without any guiding symmetry principles.By recasting the diagonalization of non-Hermitian Hamiltonians as a Poisson boundary value problem,our electrostatics analogy also transcends the gain/loss-induced compounding of foating-point errors in traditional numerical methods,thereby allowing access to far larger system sizes.
基金the National Natural Science Foundation of China(92050102)the National Key Research and Development Program of China(2020YFA0710100)+1 种基金the National Natural Science Foundation of China(11874311)the FundamentalResearch Funds for the Central Universities(20720200074 and20720190049)。
文摘We present a novel method for designing transformation optical devices based on electrostatics.An arbi-trary transformation of electrostatic field can lead to a new refractive index distribution,where wave-fronts and energy flux lines correspond to equipotential surfaces and electrostatic flux lines,respectively.Owing to scalar wave propagating exactly following an eikonal equation,wave optics and geometric optics share the same solutions in the devices.The method is utilized to design multipole lenses derived from multipoles in electrostatics.The source and drain in optics are considered as corre-sponding to positive charge and negative charge in the static field.By defining winding numbers in vir-tual and physical spaces,we explain the reason for some multipole lenses with illusion effects.Besides,we introduce an equipotential absorber to replace the drain to correspond to a negative charge with a grounded conductor.Therefore,it is a very general platform to design intriguing devices based on the combination of electrostatics and transformation optics.
基金funded in part by the National Institutes of Health through the NIH Director’s New Innovator Award Program 1-DP2-OD007237through the NSF TeraGrid Supercomputer resources grant LRAC CHE060073N to R.E.A.supported by a grant from the Institute of General Medical Sciences,National Institutes of Health,award number 1R01GM093937-01.
文摘A new VMD plugin that interfaces with DelPhi to provide ensemble-averaged electrostatic calculations using the Poisson-Boltzmann equation is presented.The general theory and context of this approach are discussed,and examples of the plugin interface and calculations are presented.This new tool is applied to systems of current biological interest,obtaining the ensemble-averaged electrostatic properties of the two major influenza virus glycoproteins,hemagglutinin and neuraminidase,from explicitly solvated all-atom molecular dynamics trajectories.The differences between the ensemble-averaged electrostatics and those obtained from a single structure are examined in detail for these examples,revealing how the plugin can be a powerful tool in facilitating the modeling of electrostatic interactions in biological systems.
基金supported by the National Natural Science Foundation of China(Grant No.52088101)the Space Utilization System of China Manned Space Engineering(Grant No.KJZ-YY-NCL02)+1 种基金the National Key R&D Program of China(Grant No.2021YFA0716301)the Shannxi Key Science and Technology Program(Grant Nos.2023-ZDLGY-36,2024JC-ZDXM-24).
文摘The liquid Zr_(100-x)V_(x)(x=8.6,16.5,30)alloys were undercooled to the maximum undercooling of 364 K(0.18 T_(L)),405 K(0.21 T_(L)),and 375 K(0.21 T_(L)),respectively,by using electrostatic levitation technique.The Zr_(91.4)V_(8.6) and Zr_(83.5)V_(16.5) alloys present only one recalescence during liquid/solid phase transition,while the Zr_(70)V_(30) alloy presents a transformation from two recalescence to one recalescence phenomenon with a critical undercooling of approximately 300 K.According to the LKT/BCT model,the calculated results of the primary β-Zr dendrite growth velocity in undercooled liquid Zr_(91.4)V_(8.6) and Zr_(83.5)V_(16.5) alloys agree well with the experiments.The velocity inflection points at 119 K of Zr_(91.4)V_(8.6) alloy and 201 K of Zr_(83.5)V_(16.5) alloy could be explained by the competition between solutal undercooling control and thermal undercooling control modes.For Zr_(70)V_(30) alloy solidified in the P1 with twice recalescence,a critical second undercooling of 253 K and corresponding undercooling of 65 and 244 K are obtained.When the un-dercooling is in the range of 65-244 K,the second undercooling would be greater than 253 K,and the residual liquid phase would solidify into anomalous eutectic microstructure for Zr_(70)V_(30) alloy.The Vickers hardness of Zr_(100-x)V_(x)(x=8.6,16.5,30)alloys all show a quadratic relationship with undercooling.Under electrostatic levitation condition,the mechanical property of Zr-V alloys could be significantly regulated through solidifying the alloys at different undercoolings.
基金The National Natural Science Foundation of China(No.51976039)。
文摘To explore the electrostatic discharge behavior of charged powders in industrial silos,discharge experiments are conducted based on a full-size industrial silo discharge platform.Electrostatic discharge mode,frequency,and energy are investigated for powders of different polarities.Although the powders have low charge-to-mass ratios(+0.087μC/kg for the positively charged powders and−0.26μC/kg for the negatively charged ones),electrostatic discharges occur approximately every 10 s,with the maximum discharge energy being 800 mJ.Powder polarity considerably influences discharge energy.The positive powders exhibit higher discharge energy than the negative ones,although discharge frequency remains similar for both.Effects of powder charge,humidity,and mass flow on discharge frequency and discharge energy are quantitatively analyzed,providing important insights for the improvement of safety in industrial powder handling.
基金support from the Instrument Developing Project of the Chinese Academy of Sciences (No.YJKYYQ20210003)Natural Science Foundation of Jilin Province (No. 20210101402JC)support from the National Natural Science Foundation of China (No. 22204159)。
文摘For nano-collision, regulating the interaction between nanoparticles(NPs) and electrode interfaces is crucial for the precise analysis of individual NPs. However, existing ultramicroelectrodes(UMEs) suffer from narrow electrochemical window and poor electrode interface adhesion, severely hindering the application of precise single NP analysis. Here, we propose a simple and effective interface modification strategy. By electrochemically self-assembling poly(diallyldimethylammonium chloride)(PC) on the surface of carbon nanocone electrodes(CNCEs), we successfully prepared PC-modified CNCEs(PC–CNCEs). These electrodes not only possess sufficiently wide electrochemical window but also exhibit strong adhesion to negatively charged Ag NPs on their surfaces. Surface physical analysis and electrochemical molecule detection validated the high-density loading of PC on the modified electrodes. Furthermore, the working principle of PC–CNCEs for single Ag NP collision detection was further verified through the techniques of nanocollision and double-potential steps. Leveraging these significant advantages, PC–CNCEs not only achieved precise measurements of single or mixed-sized Ag NPs but also detected Ag NP solutions at concentrations as low as fmol/L levels. This advancement offers a new strategy for the rapid and precise analysis of NP colloids.
基金supported by National Natural Science Foundation of China(No.11975261)。
文摘In order to support the physical research on the EAST tokamak,a new positive ion source with designed beam energy of 120 keV was proposed to be developed.Accelerator structure is one of the key components of the ion source.Through the finite element analysis method,the electrostatic analyses of insulators and grid plates were carried out,the material and structure parameters of insulators were determined.The maximum electric field around each insulator is about 4 kV/mm,and the maximum electric field between grids is about 14 kV/mm,which can meet the 120 keV withstand voltage holding.The insulation system for the positive ion source accelerator with 120 keV is designed,and the connection and basic parameters of insulators and support flanges are analyzed and determined.
基金supported by the RGC Senior Research Fellowship Scheme(Grant No.SRFS2021-5S01)the Hong Kong Research Grants Council(Grant No.PolyU 15307321)+2 种基金Research Institute for Smart Energy(CDAQ),Research Centre for Nanoscience and Nanotechnology(CE2H),Research Centre for Carbon-Strategic Catalysis(CE2L)Miss Clarea Au for the Endowed Professorship in Energy(Grant No.847S)National Natural Science Foundation of China(Grant No.62205277).
文摘The search for photoactive materials that are able to efficiently produce solar fuels is a growing research field to tackle the current energy crisis.Herein,we have prepared two ionic non-noble metallo-supramolecular polymers Se-MTpy(M=Co or Ni),and constructed their composites with single-walled carbon nanotubes(CNTs)via electrostatic attraction andπ-πinteractions for efficient and stable photocatalytic hydrogen evolution.In the photocatalytic system,the cationic Se-MTpy as host and anionic CNTs as vip are assembled into a binary composite,which exhibits superior photocatalytic activity under visible light irradiation(>420 nm).The optimized CNT@Se-CoTpy composite,containing 1.2 wt%metal loading,achieves 7 times higher hydrogen evolution rate(2.47 mmol g^(-1)h^(-1))than bare Se-CoTpy(0.35 mmol g^(-1)h^(-1)).This is attributed to the constructive formation of junctions between polymer and CNTs,facilitating interfacial charge transfer and transport for efficient proton reduction.The composite system also shows high photostability after continuous irradiation for~30 h.The combination of experimental and theoretical analysis demonstrates the higher activity for reducing H_(2)O to H_(2)of Se-CoTpy than Se-NiTpy.The feasible interfacial architecture proposed in this study represents an effective approach to achieve high photocatalytic performance.
基金financially supported by National Natural Science Foundation of China(No.22075171).
文摘Rechargeable lithium-carbon dioxide(Li-CO_(2))batteries have emerged as a highly promising approach to simultaneously address energy shortages and the greenhouse effect.However,certain limitations exist in Li-CO_(2)batteries like high charge overpotential and unstable Li metal interface,which adversely affect the energy efficiency and cycling life.The incorporation of soluble redox mediators(RMs)has proven effective in enhancing the charge transfer between lithium carbonate(Li_(2)CO_(3))and cathode,thereby substantially reducing the charge overpotential.Nevertheless,the severe shuttle effect of RMs results in the reactions with Li anode,not only exacerbating the corrosion of Li anode but also leading to the depletion of RMs and electrical energy efficiency.In this work,an organic compound containing large cation group,1-ethyl-3-methylimidazole bromide(EMIBr)is proposed as the defense donor RM for Li anode in Li-CO_(2)batteries to address the above problems simultaneously.During charging,Li_(2)CO_(3)oxidation kinetics can be accelerated by bromide anion pair(Br_(3)^(−)/Br^(−)).Meanwhile,the cations(EMI^(+))are preferentially adsorbed around the protruding tips of Li anode through electrostatic interaction driven by surface free energy,forming protective layers that effectively inhibit further Li deposition at these tips,which is verified by DFT calculations.Additionally,Li dendrites growth is inhibited by the electrostatic repulsion of polar groups in EMIBr,resulting in uniform Li deposition.Consequently,a lower overpotential(∼1.17 V)and a longer cycle life(∼200 cycles)have been obtained for Li-CO_(2)battery incorporating EMIBr.
基金supported by the National Key Research and Development Program of China(No.2022YFA1205601).
文摘By encapsulating nanoscale particles of goethite(α-FeO(OH)),hydrous ceric oxide(CeO_(2)·H_(2)O,HCO)and silver nanoparticles(AgNPs)in the pores of polystyrene anion exchanger D201,a novel nanocomposite FeO(OH)-HCO-Ag-D201 was prepared for the effective removal of arsenic from water.The isotherm study shows that FeO(OH)-HCO-Ag-D201 has excellent adsorption performance for As(III)and As(V),with an increased adsorption capacity of As(III)to 40.12 mg/g compared to that of 22.03 mg/g by the composite adsorbent without AgNPs(FeO(OH)-HCO-D201).The adsorption kinetics data showed that the sorption rate of FeO(OH)-HCO-Ag-D201 for As(III)is less than that for As(V),and the adsorption of As(III)and As(V)were consistent with the pseudo-second-order model and the pseudofirst-order model,respectively.Neutral or basic conditions are favored for the adsorption of As(III/V)by FeO(OH)-HCO-Ag-D201.Compared with nitrate/chloride/bicarbonate,sulfate/silicate/phosphate showed more remarkable inhibition of arsenic removal by FeO(OH)-HCO-Ag-D201,whereas natural organic matter showed no interference to the arsenic removal.The As(V)adsorption involved different interactions such as electrostatic attraction and surface complexation,while the adsorption of As(III)involved the part oxidization of As(III)to As(V)and the simultaneous adsorption of As(III)and As(V).In addition to the Ce(IV)in CeO_(2)·H_(2)O acted as an oxidant,the synergistic effect ofα-FeO(OH)and AgNPs also contributed to the oxidization of As(III)to As(V).Moreover,the reusable property suggested that this FeO(OH)-HCO-Ag-D201 nanocomposite has great potential for arsenic-contaminated water purification.
文摘A theoretical study of the influence of a quasi-electrostatic support on the amplification level of the slow space charge wave(SCW) in the amplification section of a superheterodyne free electron laser(FEL) was carried out. One of the ways to significantly increase the saturation level of the slow SCW is maintaining the conditions of a three-wave parametric resonance between the slow, fast SCWs and the resulting pump electric field. This can be done by introducing the quasielectrostatic support in the superheterodyne FEL amplification section. Also, it was found that the generated pump electric field significantly influences the maintenance of parametric resonance conditions. As a result, this increases the saturation level of the slow SCW by 70%. Finally, the quasi-electrostatic support significantly reduces the maximum value of the electrostatic undulator pump field strength, which is necessary to achieve the maximum saturation level of the slow SCW.
基金supported by the National Natural Science Foundation of China(Nos.51974056 and 51474047)the Foundation of the Supercomputing Center of Dalian University of Technology,and the Foundation of the Key Laboratory of Solidification Control and Digital Preparation Technology(Liaoning Province),China.
文摘Calculating the inter-layer ion diffusion barrier, a crucial metric for evaluating the rate performance of 2D electrode materials, is time-consuming using the transition state search approach. A novel electrostatic potential distribution image (EPDI) transfer learning method has been proposed to efficiently and accurately predict the lithium diffusion barriers on metal element-doped transition metal dichalcogenide (TMD) surfaces. Through the analysis of the mean electrostatic potential (MEP) around binding sites, a positive correlation between binding energy and MEP in VIB-TMDs was identified. Subsequently, transfer learning techniques were used to develop a DenseNet121-TL model for establishing a more accurate mapping between the binding energy and electrostatic potential distribution. Trained on training sets containing 33% and 50% transition state search calculation results, which save 66% and 50% of the calculation time, respectively, the model achieves accurate predictions of the saddle point binding energy with mean absolute errors (MAEs) of 0.0444 and 0.0287 eV on the testing set. Based on the prediction of saddle point binding energies, we obtained a diffusion minimum energy profile with an MAE of 0.0235 eV. Furthermore, by analyzing the diffusion data, we observed that the diffusion barrier was lowered by 10% on V-doped TiS2 compared to the stoichiometric surface. Our findings are expected to provide new insights for the high-throughput calculation of ion diffusion on 2D materials.
基金the National Natural Science Foundation of China(NSFC,Grant Nos.52176114 and 52306145)Natural Science Foundation of Jiangsu Province(Grant No.BK20230929)+3 种基金China Postdoctoral Science Foundation(Grant No.2023M731693)Fundamental Research Funds for the Central Universities,Grant No.30924010505Jiangsu Funding Program for Excellent Postdoctoral Talentthe Center of Analytical Facilities,Nanjing University of Science and Technology for providing technical equipment support for this article。
文摘To investigate the differences in combustion and energy release characteristics of metastable intermolecular composite materials composed of aluminum alloys and polyvinylidene fluoride(PVDF)with different compositions,two types of alloys were selected:Al-Mg and Al-Si.Pure aluminum powder of the same size was also chosen for comparison.The PVDF-coated metal particle composites and the mixtures of PVDF with metal particles were prepared using electrospray(ES)and physical blending methods(PM),respectively.A systematic study was conducted on the morphology,compositional structure,combustion performance,energy release characteristics,and thermal reactivity of the fabricated composites and their combustion products through scanning electron microscopy(SEM),energy-dispersive X-ray spectroscopy(EDS),X-ray diffraction(XRD),combustion performance experiments,closed vessel pressure tests,and simultaneous thermogravimetric-differential scanning calorimetry(TG-DSC).The experimental results indicated that the PVDF-coated metal particles prepared by the electrospray method exhibited a distinct core-shell structure,with the metal particles in close contact with the PVDF matrix.Compared to the PM blended materials,the ES composites demonstrated superior combustion performance and energy release characteristics during combustion.Analysis of different metal fuel systems under identical preparation conditions revealed that Al-Mg and Al-Si fuels modulate the combustion and energy release properties of aluminum alloy-PVDF MICs through two distinct pathways.
