Employing the advanced relativistic configuration interaction(RCI)combined with the many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the lowest 35 energy levels from the(1s^(2))nl ...Employing the advanced relativistic configuration interaction(RCI)combined with the many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the lowest 35 energy levels from the(1s^(2))nl configurations(where the principal quantum number n=2–6 and the angular quantum number l=0,...,n-1)of lithium-like iron Fe XXIV,as well as complete data on the transition wavelengths,radiative rates,absorption oscillator strengths,and line strengths between the levels.Both the allowed(E1)and forbidden(magnetic dipole M1,magnetic quadrupole M2,and electric quadrupole E2)ones are reported.Through detailed comparisons with previous results,we assess the overall accuracies of present RMBPT results to be likely the most precise ones to date.Configuration interaction effects are found to be very important for the energies and radiative properties for the ion.The present RMBPT results are valuable for spectral line identification,plasma modeling,and diagnosing.展开更多
In this paper, we deduce the analytical form of many-body interatomic potentials based on the Green’s function in tight-binding representation. The many-body potentials are expressed as the functions of the hopping i...In this paper, we deduce the analytical form of many-body interatomic potentials based on the Green’s function in tight-binding representation. The many-body potentials are expressed as the functions of the hopping integrals which are the physical origin of cohesion of atoms. For thesimple case of s-valent system, the inversion of the many-body potentials are discussed in detail by using the lattice inversion method.展开更多
Quantum simulation has been developed extensively over the past decades,widely applied to different models to explore dynamics in the quantum regime.Rydberg atoms have strong dipole-dipole interactions and interact wi...Quantum simulation has been developed extensively over the past decades,widely applied to different models to explore dynamics in the quantum regime.Rydberg atoms have strong dipole-dipole interactions and interact with each other over a long distance,which makes it straightforward to build many-body interacting quantum systems to simulate specific models.Additionally,neutral atoms are easily manipulated due to their weak interactions.These advantages make Rydberg many-body system an ideal platform to implement quantum simulations.This paper reviews several quantum simulations for different models based on Rydberg many-body systems,including quantum Ising models in one dimension and two dimensions mainly for quantum magnetism,XY model for excitation transport,SSH model for symmetry-protected topological phases,and critical self-organized behaviors in many-body systems.Besides,some challenges and promising directions of quantum simulations based on Rydberg many-body system are discussed in this paper.展开更多
The necessary derivation of negative mass in dispersion dynamics suggests cosmic applications. The method analyzes functional relationships between particle angular frequency, wave vector, rest mass and electromagneti...The necessary derivation of negative mass in dispersion dynamics suggests cosmic applications. The method analyzes functional relationships between particle angular frequency, wave vector, rest mass and electromagnetic or nuclear potential, f(ω, k, m0, V) = 0. A summary of consequential predictions of the dynamics leads to a calculation of ways in which negative mass might influence such phenomena as the rotational velocities that are observed in spiral galaxies. The velocities are found to be not Newtonian in the simple two body approximations for our solar system;but nearly constant with increasing orbital radii. It has moreover been suggested that the motion is due to halo structures of dark matter or dark energy. However, the motion is simply described by many-body gravitation that is transmitted along elastic spiral arms. In this context, we calculate possible effects of negative mass, but without observational confirmation.展开更多
The role of grain-boundary (GB) in the melting for ∑=5 bicrystals of B2 NiAl is investigatedby molecular-dynamics simulation. The thermodynamic properties of the boundary are moni-tored over a wide temperature range ...The role of grain-boundary (GB) in the melting for ∑=5 bicrystals of B2 NiAl is investigatedby molecular-dynamics simulation. The thermodynamic properties of the boundary are moni-tored over a wide temperature range including the thermodynamic melting point Tm, which isdetermined by using a many-body potential fitted to NiAl. A thermal disorder transition in theGB region occurs well below the melting point. Our results indicate that such a transltion isa continuous process and there is no evidence of premelting. which is entirely in accord with experimental results and theoretical prediction. Moreover, we also find that the superheated temperature range of this intermetallic alloy is much wider than that of some elemental metals.展开更多
Heat and mass transfer during the process of liquid droplet dynamic behaviors has attracted much attention in decades.At mesoscopic scale,numerical simulations of liquid droplets motion,such as impacting,sliding,and c...Heat and mass transfer during the process of liquid droplet dynamic behaviors has attracted much attention in decades.At mesoscopic scale,numerical simulations of liquid droplets motion,such as impacting,sliding,and coalescence,have been widely studied by using the particle-based method named many-body dissipative particle dynamics(MDPD).However,the detailed information on heat transfer needs further description.This paper develops a modified MDPD with energy conservation(MDPDE)by introducing a temperature-dependent long-term attractive interaction.By fitting or deriving the expressions of the strength of the attractive force,the exponent of the weight function in the dissipative force,and the mesoscopic heat friction coefficient about temperature,we calculate the viscosity,self-diffusivity,thermal conductivity,and surface tension,and obtain the Schmidt number Sc,the Prandtl number P r,and the Ohnesorge number Oh for 273 K to 373 K.The simulation data of MDPDE coincide well with the experimental data of water,indicating that our model can be used to simulate the dynamic behaviors of liquid water.Furthermore,we compare the equilibrium contact angle of droplets wetting on solid surfaces with that calculated from three interfacial tensions by MDPDE simulations.The coincident results not only stand for the validation of Young’s equation at mesoscale,but manifest the reliability of our MDPDE model and applicability to the cases with free surfaces.Our model can be extended to study the multiphase flow withcomplex heat and mass transfer.展开更多
A model of binding forces in metals and alloys, based on the density functional theory and accounted effects of the many-body interactions, was proposed. The developed method can be easily applied for study of metals ...A model of binding forces in metals and alloys, based on the density functional theory and accounted effects of the many-body interactions, was proposed. The developed method can be easily applied for study of metals and alloys by the molecular dynamics simulation. The potentials of interatomic interactions have been found by the proposed method and applied for calculations of equation of state, elastic moduli and phonon dispersion in metals Ni, Al, alloys NiAl and Ni3Al. Results of the calculations are in good agreement with known experimental data both for pure metals and alloys.展开更多
An extended electron model fully recovers many of the experimental results of quantum mechanics while it avoids many of the pitfalls and remains generally free of paradoxes. The formulation of the manybody electronic ...An extended electron model fully recovers many of the experimental results of quantum mechanics while it avoids many of the pitfalls and remains generally free of paradoxes. The formulation of the manybody electronic problem here resembles the Kohn Sham formulation of standard density functional theory. However, rather than referring electronic properties to a large set of single electron orbitals, the extended electron model uses only mass density and field components, leading to a substantial increase in computational efficiency. To date, the Hohenberg-Kohn theorems have not been proved for a model of this type, nor has a universal energy functional been presented. In this paper, we address these problems and show that the Hohenberg Kohn theorems do also hold for a density model of this type. We then present a proof^of^concept practical implementation of this method and show that it reproduces the accuracy of more widely used methods on a test-set of small atomic systems, thus paving the way for the development of fast, efficient and accurate codes on this basis.展开更多
Harnessing the quantum computation power of the present noisy-intermediate-size-quantum devices has received tremendous interest in the last few years. Here we study the learning power of a one-dimensional long-range ...Harnessing the quantum computation power of the present noisy-intermediate-size-quantum devices has received tremendous interest in the last few years. Here we study the learning power of a one-dimensional long-range randomly-coupled quantum spin chain, within the framework of reservoir computing. In time sequence learning tasks, we find the system in the quantum many-body localized (MBL) phase holds long-term memory, which can be attributed to the emergent local integrals of motion. On the other hand, MBL phase does not provide sufficient nonlinearity in learning highly-nonlinear time sequences, which we show in a parity check task. This is reversed in the quantum ergodic phase, which provides sufficient nonlinearity but compromises memory capacity. In a complex learning task of Mackey–Glass prediction that requires both sufficient memory capacity and nonlinearity, we find optimal learning performance near the MBL-to-ergodic transition. This leads to a guiding principle of quantum reservoir engineering at the edge of quantum ergodicity reaching optimal learning power for generic complex reservoir learning tasks. Our theoretical finding can be tested with near-term NISQ quantum devices.展开更多
With the development of the simulation of particle dynamics,the traditional dissipative particle dynamics(DPD)method can not satisfy the needs of research in static or dynamic wetting phenomena.However,the Many-body D...With the development of the simulation of particle dynamics,the traditional dissipative particle dynamics(DPD)method can not satisfy the needs of research in static or dynamic wetting phenomena.However,the Many-body DPD approach extends the ability of the traditional method to simulate the interface between solid and liquid or some other situation.In this paper,we propose a Many-body DPD program to simulate the solidliquid interface and get satisfactory results.展开更多
Formal analogies between the Car-Parrinello(CP)ab-initio molecular dynamics for quantum many-body systems,and the Lattice Boltzmann(LB)method for classical and quantum fluids,are pointed out.A theoretical scenario,whe...Formal analogies between the Car-Parrinello(CP)ab-initio molecular dynamics for quantum many-body systems,and the Lattice Boltzmann(LB)method for classical and quantum fluids,are pointed out.A theoretical scenario,whereby the quantum LB would be coupled to the CP framework to speed-up many-body quantum simulations,is also discussed,together with accompanying considerations on the computational efficiency of the prospective CP-LB scheme.展开更多
Atomic radiative data such as excitation energies, transition wavelengths, radiative rates, and level lifetimes with high precision are the essential parameters for the abundance analysis, simulation, and diagnostics ...Atomic radiative data such as excitation energies, transition wavelengths, radiative rates, and level lifetimes with high precision are the essential parameters for the abundance analysis, simulation, and diagnostics in fusion and astrophysical plasmas. In this work, we mainly focus on reviewing our two projects performed in the past decade. One is about the ions with Z■30 that are generally of astrophysical interest, and the other one is about the highly charged krypton(Z = 36)and tungsten(Z = 74) ions that are relevant in research of magnetic confinement fusion. Two different and independent methods, namely, multiconfiguration Dirac–Hartree–Fock(MCDHF) and the relativistic many-body perturbation theory(RMBPT) are usually used in our studies. As a complement/extension to our previous works for highly charged tungsten ions with open M-shell and open N-shell, we also mainly focus on presenting and discussing our complete RMBPT and MCDHF calculations for the excitation energies, wavelengths, electric dipole(E1), magnetic dipole(M1), electric quadrupole(E2), and magnetic quadrupole(M2) transition properties, and level lifetimes for the lowest 148 levels belonging to the 3l3configurations in Al-like W61+. We also summarize the uncertainties of our systematical theoretical calculations, by cross-checking/validating our datasets from our RMBPT and MCDHF calculations, and by detailed comparisons with available accurate observations and other theoretical calculations. The data are openly available in Science Data Bank at https://doi.org/10.57760/sciencedb.10569.展开更多
Strongly-interacting Rydberg atomic ensembles have shown intense collective excitation effects due to the inclusion of single Rydberg excitation shared by multiple atoms in the ensemble.In this paper we investigate a ...Strongly-interacting Rydberg atomic ensembles have shown intense collective excitation effects due to the inclusion of single Rydberg excitation shared by multiple atoms in the ensemble.In this paper we investigate a counter-intuitive Rydberg excitation facilitation with a strongly-interacting atomic ensemble in the strong probe-field regime,which is enabled by the role of a control atom nearby.Differing from the case of a single ensemble,we show that,the control atom's excitation adds to a second two-photon transition onto the doubly-excited Rydberg state,arising an excitation facilitation for the ensemble atoms.Our numerical studies depending on the method of quantum Monte Carlo wave function,exhibit the observation constraints of this excitation facilitation effect under practical experimental conditions.The results obtained can provide a flexible control for the excitation of Rydberg atomic ensembles and participate further uses in developing mesoscopic Rydberg gates for multiqubit quantum computation.展开更多
A novel variational wave function defined as a Jastrow factor multiplying a backflow transformed Slater determinant was developed for A=3 nuclei.The Jastrow factor and backflow transformation were represented by artif...A novel variational wave function defined as a Jastrow factor multiplying a backflow transformed Slater determinant was developed for A=3 nuclei.The Jastrow factor and backflow transformation were represented by artificial neural networks.With this newly developed wave function,variational Monte Carlo calculations were carried out for3H and3He nuclei starting from a nuclear Hamiltonian based on the leadingorder pionless effective field theory.The obtained ground-state energy and charge radii were successfully benchmarked against the results of the highly-accurate hypersphericalharmonics method.The backflow transformation plays a crucial role in improving the nodal surface of the Slater determinant and,thus,providing accurate ground-state energy.展开更多
Compton scattering with bound electrons contributes to a significant atomic effect in low-momentum transfer,yielding background structures in direct light dark matter searches as well as low-energy rare event experime...Compton scattering with bound electrons contributes to a significant atomic effect in low-momentum transfer,yielding background structures in direct light dark matter searches as well as low-energy rare event experiments.We report the measurement of Compton scattering in low-momentum transfer by implementing a 10-g germanium detector bombarded by a^(137)Cs source with a radioactivity of 8.7 mCi and a scatter photon captured by a cylindrical NaI(Tl)detector.A fully relativistic impulse approximation combined with multi-configuration Dirac–Fock wavefunctions was evaluated,and the scattering function of Geant4 software was replaced by our calculation results.Our measurements show that the Livermore model with the modified scattering function in Geant4 is in good agreement with the experimental data.It is also revealed that atomic many-body effects significantly influence Compton scattering for low-momentum transfer(sub-keV energy transfer).展开更多
In this paper, we study electromagnetic (EM) wave scattering problem by many small impedance bodies. A numerical method for solving this problem is presented. The problem is solved under the physical assumptions ka??1...In this paper, we study electromagnetic (EM) wave scattering problem by many small impedance bodies. A numerical method for solving this problem is presented. The problem is solved under the physical assumptions ka??1, where a is the characteristic size of the bodies and k is the wave number. This problem is solved asymptotically and numerical experiments are provided to illustrate the idea of the method. Error estimate for the asymptotic solution is also discussed.展开更多
The dielectric response of complex perovskite relaxor ferrolectrics Pb(Mg1/3Nb2/3) O3 with respect to temperature and frequency was carefully measured. Using a normalized method of the ’universal’ many-body theory, ...The dielectric response of complex perovskite relaxor ferrolectrics Pb(Mg1/3Nb2/3) O3 with respect to temperature and frequency was carefully measured. Using a normalized method of the ’universal’ many-body theory, the relaxation process was analyzed around the temperature of dielectric absorption maximum. There is no structural phase transition near this temperature and the behavior is closely like that of a polar dipole medium. The functional relationship about frequency and temperature of dielectric pormittivity maximum was also fitted to discuss the dynamic behavior of polar microregion. It is confirmed that a new power exponential Arrhenius relation is better to characterize the relaxation behavior than the Vogel-Fulcher and Debye relations. Based on the polarization theory of polar dipoles, we analyzed the relaxation mechanism of ferroelectric microdomains of relaxor ferroelectrics, and get an ideal distribution function of relaxation time. Consequently, a simulated dielectric response dependence on temperature and frequencies can be expressed, which is well coincided with experiment results.展开更多
Two classes of composite materials are considered: classical metaleceramic composites with reinforcing hard inclusions as well as hard ceramics matrix with soft gel inclusions. Movable cellular automaton method is use...Two classes of composite materials are considered: classical metaleceramic composites with reinforcing hard inclusions as well as hard ceramics matrix with soft gel inclusions. Movable cellular automaton method is used for modeling the mechanical behaviors of such different heterogeneous materials. The method is based on particle approach and may be considered as a kind of discrete element method. The main feature of the method is the use of many-body forces of inter-element interaction within the formalism of simply deformable element approximation. It was shown that the strength of reinforcing particles and the width of particle-binder interphase boundaries had determining influence on the service characteristics of metaleceramic composite. In particular, the increasing of strength of carbide inclusions may lead to significant increase in the strength and ultimate strain of composite material. On the example of porous zirconia ceramics it was shown that the change in the mechanical properties of pore surface leads to the corresponding change in effective elastic modulus and strength limit of the ceramic sample. The less is the pore size, the more is this effect. The increase in the elastic properties of pore surface of ceramics may reduce its fracture energy.展开更多
We applied an approach to the development of many-body interatomic potentials for NiZr alloys,gaining an improved accuracy and reliability.The functional form of the potential is that of the embedded method,but it has...We applied an approach to the development of many-body interatomic potentials for NiZr alloys,gaining an improved accuracy and reliability.The functional form of the potential is that of the embedded method,but it has been improved as follows. (1) The database used for the development of the potential includes both experimental data and a large set of energies of different structures of the alloys generated by Fab initio calculations. (2) The optimum parametrization of the potential for the given database is obtained by fitting. Using this approach we developed reliable interatomic potentials for Ni and Zr. The potential accurately reproduces basic equilibrium properties of the alloys.展开更多
基金Project supported by the Research Foundation for Higher Level Talents of West Anhui University(Grant No.WGKQ2021005)。
文摘Employing the advanced relativistic configuration interaction(RCI)combined with the many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the lowest 35 energy levels from the(1s^(2))nl configurations(where the principal quantum number n=2–6 and the angular quantum number l=0,...,n-1)of lithium-like iron Fe XXIV,as well as complete data on the transition wavelengths,radiative rates,absorption oscillator strengths,and line strengths between the levels.Both the allowed(E1)and forbidden(magnetic dipole M1,magnetic quadrupole M2,and electric quadrupole E2)ones are reported.Through detailed comparisons with previous results,we assess the overall accuracies of present RMBPT results to be likely the most precise ones to date.Configuration interaction effects are found to be very important for the energies and radiative properties for the ion.The present RMBPT results are valuable for spectral line identification,plasma modeling,and diagnosing.
文摘In this paper, we deduce the analytical form of many-body interatomic potentials based on the Green’s function in tight-binding representation. The many-body potentials are expressed as the functions of the hopping integrals which are the physical origin of cohesion of atoms. For thesimple case of s-valent system, the inversion of the many-body potentials are discussed in detail by using the lattice inversion method.
文摘Quantum simulation has been developed extensively over the past decades,widely applied to different models to explore dynamics in the quantum regime.Rydberg atoms have strong dipole-dipole interactions and interact with each other over a long distance,which makes it straightforward to build many-body interacting quantum systems to simulate specific models.Additionally,neutral atoms are easily manipulated due to their weak interactions.These advantages make Rydberg many-body system an ideal platform to implement quantum simulations.This paper reviews several quantum simulations for different models based on Rydberg many-body systems,including quantum Ising models in one dimension and two dimensions mainly for quantum magnetism,XY model for excitation transport,SSH model for symmetry-protected topological phases,and critical self-organized behaviors in many-body systems.Besides,some challenges and promising directions of quantum simulations based on Rydberg many-body system are discussed in this paper.
文摘The necessary derivation of negative mass in dispersion dynamics suggests cosmic applications. The method analyzes functional relationships between particle angular frequency, wave vector, rest mass and electromagnetic or nuclear potential, f(ω, k, m0, V) = 0. A summary of consequential predictions of the dynamics leads to a calculation of ways in which negative mass might influence such phenomena as the rotational velocities that are observed in spiral galaxies. The velocities are found to be not Newtonian in the simple two body approximations for our solar system;but nearly constant with increasing orbital radii. It has moreover been suggested that the motion is due to halo structures of dark matter or dark energy. However, the motion is simply described by many-body gravitation that is transmitted along elastic spiral arms. In this context, we calculate possible effects of negative mass, but without observational confirmation.
文摘The role of grain-boundary (GB) in the melting for ∑=5 bicrystals of B2 NiAl is investigatedby molecular-dynamics simulation. The thermodynamic properties of the boundary are moni-tored over a wide temperature range including the thermodynamic melting point Tm, which isdetermined by using a many-body potential fitted to NiAl. A thermal disorder transition in theGB region occurs well below the melting point. Our results indicate that such a transltion isa continuous process and there is no evidence of premelting. which is entirely in accord with experimental results and theoretical prediction. Moreover, we also find that the superheated temperature range of this intermetallic alloy is much wider than that of some elemental metals.
基金Project supported by the National Natural Science Foundation of China(Nos.11872283,12002242,11902188,and 12102218)the Shanghai Science and Technology Talent Program(No.19YF1417400)the China Postdoctoral Science Foundation(No.2020M680525)。
文摘Heat and mass transfer during the process of liquid droplet dynamic behaviors has attracted much attention in decades.At mesoscopic scale,numerical simulations of liquid droplets motion,such as impacting,sliding,and coalescence,have been widely studied by using the particle-based method named many-body dissipative particle dynamics(MDPD).However,the detailed information on heat transfer needs further description.This paper develops a modified MDPD with energy conservation(MDPDE)by introducing a temperature-dependent long-term attractive interaction.By fitting or deriving the expressions of the strength of the attractive force,the exponent of the weight function in the dissipative force,and the mesoscopic heat friction coefficient about temperature,we calculate the viscosity,self-diffusivity,thermal conductivity,and surface tension,and obtain the Schmidt number Sc,the Prandtl number P r,and the Ohnesorge number Oh for 273 K to 373 K.The simulation data of MDPDE coincide well with the experimental data of water,indicating that our model can be used to simulate the dynamic behaviors of liquid water.Furthermore,we compare the equilibrium contact angle of droplets wetting on solid surfaces with that calculated from three interfacial tensions by MDPDE simulations.The coincident results not only stand for the validation of Young’s equation at mesoscale,but manifest the reliability of our MDPDE model and applicability to the cases with free surfaces.Our model can be extended to study the multiphase flow withcomplex heat and mass transfer.
文摘A model of binding forces in metals and alloys, based on the density functional theory and accounted effects of the many-body interactions, was proposed. The developed method can be easily applied for study of metals and alloys by the molecular dynamics simulation. The potentials of interatomic interactions have been found by the proposed method and applied for calculations of equation of state, elastic moduli and phonon dispersion in metals Ni, Al, alloys NiAl and Ni3Al. Results of the calculations are in good agreement with known experimental data both for pure metals and alloys.
文摘An extended electron model fully recovers many of the experimental results of quantum mechanics while it avoids many of the pitfalls and remains generally free of paradoxes. The formulation of the manybody electronic problem here resembles the Kohn Sham formulation of standard density functional theory. However, rather than referring electronic properties to a large set of single electron orbitals, the extended electron model uses only mass density and field components, leading to a substantial increase in computational efficiency. To date, the Hohenberg-Kohn theorems have not been proved for a model of this type, nor has a universal energy functional been presented. In this paper, we address these problems and show that the Hohenberg Kohn theorems do also hold for a density model of this type. We then present a proof^of^concept practical implementation of this method and show that it reproduces the accuracy of more widely used methods on a test-set of small atomic systems, thus paving the way for the development of fast, efficient and accurate codes on this basis.
基金This work was supported by the National Program on Key Basic Research Project of China(Grant Nos.2021YFA1400900 and 2017YFA0304204)the National Natural Science Foundation of China(Grant Nos.11774067 and 11934002)+3 种基金Shanghai Municipal Science and Technology Major Project(Grant No.2019SHZDZX01)Shanghai Science Foundation(Grant No.19ZR1471500)the Open Project of Shenzhen Institute of Quantum Science and Engineering(Grant No.SIQSE202002)X.Q.acknowledges support from the National Postdoctoral Program for Innovative Talents of China under Grant No.BX20190083.
文摘Harnessing the quantum computation power of the present noisy-intermediate-size-quantum devices has received tremendous interest in the last few years. Here we study the learning power of a one-dimensional long-range randomly-coupled quantum spin chain, within the framework of reservoir computing. In time sequence learning tasks, we find the system in the quantum many-body localized (MBL) phase holds long-term memory, which can be attributed to the emergent local integrals of motion. On the other hand, MBL phase does not provide sufficient nonlinearity in learning highly-nonlinear time sequences, which we show in a parity check task. This is reversed in the quantum ergodic phase, which provides sufficient nonlinearity but compromises memory capacity. In a complex learning task of Mackey–Glass prediction that requires both sufficient memory capacity and nonlinearity, we find optimal learning performance near the MBL-to-ergodic transition. This leads to a guiding principle of quantum reservoir engineering at the edge of quantum ergodicity reaching optimal learning power for generic complex reservoir learning tasks. Our theoretical finding can be tested with near-term NISQ quantum devices.
文摘With the development of the simulation of particle dynamics,the traditional dissipative particle dynamics(DPD)method can not satisfy the needs of research in static or dynamic wetting phenomena.However,the Many-body DPD approach extends the ability of the traditional method to simulate the interface between solid and liquid or some other situation.In this paper,we propose a Many-body DPD program to simulate the solidliquid interface and get satisfactory results.
文摘Formal analogies between the Car-Parrinello(CP)ab-initio molecular dynamics for quantum many-body systems,and the Lattice Boltzmann(LB)method for classical and quantum fluids,are pointed out.A theoretical scenario,whereby the quantum LB would be coupled to the CP framework to speed-up many-body quantum simulations,is also discussed,together with accompanying considerations on the computational efficiency of the prospective CP-LB scheme.
基金the support from the National Natural Science Foundation of China (Grant Nos. 12074081 and 12104095)。
文摘Atomic radiative data such as excitation energies, transition wavelengths, radiative rates, and level lifetimes with high precision are the essential parameters for the abundance analysis, simulation, and diagnostics in fusion and astrophysical plasmas. In this work, we mainly focus on reviewing our two projects performed in the past decade. One is about the ions with Z■30 that are generally of astrophysical interest, and the other one is about the highly charged krypton(Z = 36)and tungsten(Z = 74) ions that are relevant in research of magnetic confinement fusion. Two different and independent methods, namely, multiconfiguration Dirac–Hartree–Fock(MCDHF) and the relativistic many-body perturbation theory(RMBPT) are usually used in our studies. As a complement/extension to our previous works for highly charged tungsten ions with open M-shell and open N-shell, we also mainly focus on presenting and discussing our complete RMBPT and MCDHF calculations for the excitation energies, wavelengths, electric dipole(E1), magnetic dipole(M1), electric quadrupole(E2), and magnetic quadrupole(M2) transition properties, and level lifetimes for the lowest 148 levels belonging to the 3l3configurations in Al-like W61+. We also summarize the uncertainties of our systematical theoretical calculations, by cross-checking/validating our datasets from our RMBPT and MCDHF calculations, and by detailed comparisons with available accurate observations and other theoretical calculations. The data are openly available in Science Data Bank at https://doi.org/10.57760/sciencedb.10569.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12174106 and 11474094)the Science and Technology Commission of Shanghai Municipality(Grant No.18ZR1412800)。
文摘Strongly-interacting Rydberg atomic ensembles have shown intense collective excitation effects due to the inclusion of single Rydberg excitation shared by multiple atoms in the ensemble.In this paper we investigate a counter-intuitive Rydberg excitation facilitation with a strongly-interacting atomic ensemble in the strong probe-field regime,which is enabled by the role of a control atom nearby.Differing from the case of a single ensemble,we show that,the control atom's excitation adds to a second two-photon transition onto the doubly-excited Rydberg state,arising an excitation facilitation for the ensemble atoms.Our numerical studies depending on the method of quantum Monte Carlo wave function,exhibit the observation constraints of this excitation facilitation effect under practical experimental conditions.The results obtained can provide a flexible control for the excitation of Rydberg atomic ensembles and participate further uses in developing mesoscopic Rydberg gates for multiqubit quantum computation.
基金Supported by National Key R&D Program of China (018YFA0404400)National Natural Science Foundation of China (12070131001,11875075,11935003,11975031,12141501)。
文摘A novel variational wave function defined as a Jastrow factor multiplying a backflow transformed Slater determinant was developed for A=3 nuclei.The Jastrow factor and backflow transformation were represented by artificial neural networks.With this newly developed wave function,variational Monte Carlo calculations were carried out for3H and3He nuclei starting from a nuclear Hamiltonian based on the leadingorder pionless effective field theory.The obtained ground-state energy and charge radii were successfully benchmarked against the results of the highly-accurate hypersphericalharmonics method.The backflow transformation plays a crucial role in improving the nodal surface of the Slater determinant and,thus,providing accurate ground-state energy.
基金supported by the National Key Research and Development Program of China(No.2017YFA0402203),the National Natural Science Foundation of China(Nos.11975159 and 11975162).
文摘Compton scattering with bound electrons contributes to a significant atomic effect in low-momentum transfer,yielding background structures in direct light dark matter searches as well as low-energy rare event experiments.We report the measurement of Compton scattering in low-momentum transfer by implementing a 10-g germanium detector bombarded by a^(137)Cs source with a radioactivity of 8.7 mCi and a scatter photon captured by a cylindrical NaI(Tl)detector.A fully relativistic impulse approximation combined with multi-configuration Dirac–Fock wavefunctions was evaluated,and the scattering function of Geant4 software was replaced by our calculation results.Our measurements show that the Livermore model with the modified scattering function in Geant4 is in good agreement with the experimental data.It is also revealed that atomic many-body effects significantly influence Compton scattering for low-momentum transfer(sub-keV energy transfer).
文摘In this paper, we study electromagnetic (EM) wave scattering problem by many small impedance bodies. A numerical method for solving this problem is presented. The problem is solved under the physical assumptions ka??1, where a is the characteristic size of the bodies and k is the wave number. This problem is solved asymptotically and numerical experiments are provided to illustrate the idea of the method. Error estimate for the asymptotic solution is also discussed.
文摘The dielectric response of complex perovskite relaxor ferrolectrics Pb(Mg1/3Nb2/3) O3 with respect to temperature and frequency was carefully measured. Using a normalized method of the ’universal’ many-body theory, the relaxation process was analyzed around the temperature of dielectric absorption maximum. There is no structural phase transition near this temperature and the behavior is closely like that of a polar dipole medium. The functional relationship about frequency and temperature of dielectric pormittivity maximum was also fitted to discuss the dynamic behavior of polar microregion. It is confirmed that a new power exponential Arrhenius relation is better to characterize the relaxation behavior than the Vogel-Fulcher and Debye relations. Based on the polarization theory of polar dipoles, we analyzed the relaxation mechanism of ferroelectric microdomains of relaxor ferroelectrics, and get an ideal distribution function of relaxation time. Consequently, a simulated dielectric response dependence on temperature and frequencies can be expressed, which is well coincided with experiment results.
基金the Projects Nos. III.23.2.3 (I.S. Konovalenko, S.P. Buyakova) and III.23.2.4 (S.G. Psakhie) of the Basic Scientific Research Program of State Academies of Sciences for 2013e2020the RFBR Project No. 12-01-00805-a (A.Yu. Smolin, E.V. Shilko)the grant No. 14-19-00718 of the Russian Science Foundation (A.Yu. Smolin, E.V. Shilko, S.V. Astafurov)
文摘Two classes of composite materials are considered: classical metaleceramic composites with reinforcing hard inclusions as well as hard ceramics matrix with soft gel inclusions. Movable cellular automaton method is used for modeling the mechanical behaviors of such different heterogeneous materials. The method is based on particle approach and may be considered as a kind of discrete element method. The main feature of the method is the use of many-body forces of inter-element interaction within the formalism of simply deformable element approximation. It was shown that the strength of reinforcing particles and the width of particle-binder interphase boundaries had determining influence on the service characteristics of metaleceramic composite. In particular, the increasing of strength of carbide inclusions may lead to significant increase in the strength and ultimate strain of composite material. On the example of porous zirconia ceramics it was shown that the change in the mechanical properties of pore surface leads to the corresponding change in effective elastic modulus and strength limit of the ceramic sample. The less is the pore size, the more is this effect. The increase in the elastic properties of pore surface of ceramics may reduce its fracture energy.
基金Supported by the National Natural Science Foundation of China(No.2 9892 16 6 ,2 980 30 0 6 ,2 99830 0 1)
文摘We applied an approach to the development of many-body interatomic potentials for NiZr alloys,gaining an improved accuracy and reliability.The functional form of the potential is that of the embedded method,but it has been improved as follows. (1) The database used for the development of the potential includes both experimental data and a large set of energies of different structures of the alloys generated by Fab initio calculations. (2) The optimum parametrization of the potential for the given database is obtained by fitting. Using this approach we developed reliable interatomic potentials for Ni and Zr. The potential accurately reproduces basic equilibrium properties of the alloys.
