For the observed line at 799.23°A in tungsten EBIT experiment,which was assigned to be^(3)F_(4)^(o)−^(3)F_(3)^(o)([Ar]4s^(2)4p^(5)4d)of W^(38+)ion,there were noticeable deviations for most calculated wavelengths ...For the observed line at 799.23°A in tungsten EBIT experiment,which was assigned to be^(3)F_(4)^(o)−^(3)F_(3)^(o)([Ar]4s^(2)4p^(5)4d)of W^(38+)ion,there were noticeable deviations for most calculated wavelengths from the measured value.To clarify this issue,we carry out an extensive calculation for energy levels and transition properties of W^(38+)ion using the multi-configuration Dirac–Hartree–Fock and relativistic configuration interaction method,in which more deeper inner core electron correlations are included,and different forms of Breit interaction as well as quantum electrodynamics corrections are investigated.It is found that the inner core electron correlations can affect the total energy of levels,while only slightly modify the excited energy of levels in 4s^(2)4p^(5)4d complex.The present calculated wavelengths agree with the corresponding measured values excellently except the line at 799.23Å.Thus we are strongly suspicious this line should be misidentified,and suggest that new experiment with higher resolution and spectra analysis based on more accurate atomic data should be performed for W^(38+)ion.展开更多
In response to the demand for rapid geometric modeling in Monte Carlo radiation transportation calculations for large-scale and complex geometric scenes,functional improvements,and algorithm optimizations were perform...In response to the demand for rapid geometric modeling in Monte Carlo radiation transportation calculations for large-scale and complex geometric scenes,functional improvements,and algorithm optimizations were performed using CAD-to-Monte Carlo geometry conversion(CMGC)code.Boundary representation(BRep)to constructive solid geometry(CSG)conversion and visual CSG modeling were combined to address the problem of non-convertible geometries such as spline surfaces.The splitting surface assessment method in BRep-to-CSG conversion was optimized to reduce the number of Boolean operations using an Open Cascade.This,in turn,reduced the probability of CMGC conversion failure.The auxiliary surface generation algorithm was optimized to prevent the generation of redundant auxiliary surfaces that cause an excessive decomposition of CAD geometry solids.These optimizations enhanced the usability and stability of the CMGC model conversion.CMGC was applied successfully to the JMCT transportation calculations for the conceptual designs of five China Fusion Engineering Test Reactor(CFETR)blankets.The rapid replacement of different blanket schemes was achieved based on the baseline CFETR model.The geometric solid number of blankets ranged from hundreds to tens of thousands.The correctness of the converted CFETR models using CMGC was verified through comparisons with the MCNP calculation results.The CMGC supported radiation field evaluations for a large urban scene and detailed ship scene.This enabled the rapid conversion of CAD models with thousands of geometric solids into Monte Carlo CSG models.An analysis of the JMCT transportation simulation results further demonstrated the accuracy and effectiveness of the CMGC.展开更多
A thermodynamically complete multi-phase equation of state(EOS)applicable to both dense and porous metals at wide ranges of temperature and pressure is constructed.A standard three-term decomposition of the Helmholtz ...A thermodynamically complete multi-phase equation of state(EOS)applicable to both dense and porous metals at wide ranges of temperature and pressure is constructed.A standard three-term decomposition of the Helmholtz free energy as a function of specific volume and temperature is presented,where the cold component models both compression and expansion states,the thermal ion component introduces the Debye approximation and melting entropy,and the thermal electron component employs the Thomas-Fermi-Kirzhnits(TFK)model.The porosity of materials is considered by introducing the dynamic porosity coefficientαand the constitutive P-αrelation,connecting the thermodynamic properties between dense and porous systems,allowing for an accurate description of the volume decrease caused by void collapse while maintaining the quasi-static thermodynamic properties of porous systems identical to the dense ones.These models enable the EOS applicable and robust at wide ranges of temperature,pressure and porosity.A systematic evaluation of the new EOS is conducted with aluminum(Al)as an example.300 K isotherm,shock Hugoniot,as well as melting curves of both dense and porous Al are calculated,which shows great agreements with experimental data and validates the effectiveness of the models and the accuracy of parameterizations.Notably,it is for the first time Hugoniot P-σcurves up to 10~6 GPa and shock melting behaviors of porous Al are derived from analytical EOS models,which predict much lower compression limit and shock melting temperatures than those of dense Al.展开更多
Rotational dynamics simulations of neutral O_(2)molecules driven by linearly,elliptically and circularly polarized femtosecond pulsed lasers are carried out using a full quantum time-dependent wave packet evolution me...Rotational dynamics simulations of neutral O_(2)molecules driven by linearly,elliptically and circularly polarized femtosecond pulsed lasers are carried out using a full quantum time-dependent wave packet evolution method.Here,the direction of laser propagation is set along the z axis,and the polarization plane is restricted to the xy plane.The results indicate that the alignment of O_(2)molecules in the z direction is weakly affected by varying the ellipticity when the total laser intensity is held constant.For rotation within the xy plane,the linearly polarized laser significantly excites rotational motion,with the degree of excitation increasing as the ellipticity increases.In contrast,under the influence of a circularly polarized laser,the angular distribution of O_(2)molecules in the xy plane remains isotropic.Additionally,the effects of the initial rotational quantum number,the temperature of the O_(2)molecules and the nuclear spin on laser-induced alignment are discussed.展开更多
Employing two fully relativistic methods,the multi-reference configuration Dirac-Hartree-Fock(MCDHF)methodand the relativistic many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the ...Employing two fully relativistic methods,the multi-reference configuration Dirac-Hartree-Fock(MCDHF)methodand the relativistic many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the lowest35 energy levels of the(1s^(2))nl configurations(where the principal quantum number n=2-6 and the angular quantum numberl=0,...,n-1)of lithium-like germanium(Ge XXX),as well as complete data on the transition wavelengths,radiativerates,absorption oscillator strengths,and line strengths between the levels.Both the allowed(E1)and forbidden(magneticdipole M1,magnetic quadrupole M2,and electric quadrupole E2)ones are reported.The results from the two methodsare consistent with each other and align well with previous accurate experimental and theoretical findings.We assess theoverall accuracies of present RMBPT results to be likely the most precise ones to date.The present fully relativistic resultsshould be helpful for soft x-ray laser research,spectral line identification,plasma modeling and diagnosing.The datasetspresented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00113.00135.展开更多
Based on the unified Hauser–Feshbach and exciton model,which can describe the particle emission processes between discrete energy levels with energy,angular momentum,and parity conservations,a statistical theory of l...Based on the unified Hauser–Feshbach and exciton model,which can describe the particle emission processes between discrete energy levels with energy,angular momentum,and parity conservations,a statistical theory of light nucleus reaction(STLN)is developed to calculate the double-differential cross-sections of the outgoing neutron and light charged particles for the proton-induced^(6) Li reaction.A significant difference is observed between the p+^(6) Li and p+^(7) Li reactions owing to the discrepancies in the energy-level structures of the targets.The reaction channels,including sequential and simultaneous emission processes,are analyzed in detail.Taking the double-differential cross-sections of the outgoing proton as an example,the influence of contaminations(such as^(1) H,^(7)Li,^(12)C,and^(16)O)on the target is identified in terms of the kinetic energy of the first emitted particles.The optical potential parameters of the proton are obtained by fitting the elastic scattering differential cross-sections.The calculated total double-differential cross-sections of the outgoing proton and deuteron at E_(p)=14 MeV agree well with the experimental data for different outgoing angles.Simultaneously,the mixed double differential cross-sections of^(3) He andαare in good agreement with the measurements.The agreement between the measured data and calculated results indicates that the two-body and three-body breakup reactions need to be considered,and the pre-equilibrium reaction mechanism dominates the reaction processes.Based on the STLN model,a PLUNF code for the p+^(6) Li reaction is developed to obtain an ENDF-6-formatted file of the double-differential cross-sections of the nucleon and light composite charged particles.展开更多
Based on ab initio calculations,we utilize the mean-field potential approach with the quantum modification in conjunction with stress–strain relation to investigate the elastic anisotropies and sound velocities of hc...Based on ab initio calculations,we utilize the mean-field potential approach with the quantum modification in conjunction with stress–strain relation to investigate the elastic anisotropies and sound velocities of hcp and bcc Be under high-temperature(0–6000 K)and high-pressure(0–500 GPa)conditions.We propose a general definition of anisotropy for elastic moduli and sound velocities.Results suggest that the elastic anisotropy of Be is more significantly influenced by pressure than by temperature.The pressure-induced increase of c/a ratio makes the anisotropy of hcp Be significantly strengthen.Nevertheless,the hcp Be still exhibits smaller anisotropy than bcc Be in terms of elastic moduli and sound velocities.We suggest that measuring the anisotropy in shear sound velocity may be an approach to distinguishing the hcp–bcc phase transition under extreme conditions.展开更多
The interaction between shock waves and multiple cylinders,referred to as shock–cylinder interaction(SCI),is an important phenomenon in science and engineering.However,its underlying physical mechanisms remain unclea...The interaction between shock waves and multiple cylinders,referred to as shock–cylinder interaction(SCI),is an important phenomenon in science and engineering.However,its underlying physical mechanisms remain unclear.This study entailed the numerical simulation of the aerobreakup of two tandem water columns subjected to a high-speed gas flow by using an adaptive mesh refinement(AMR)-based diffusion-interface model.The objective was to elucidate the changes in water–column deformation patterns over a wide range of Weber numbers.Statistical analysis was performed to examine the deformation of the water columns in vertical directions.Results reveal distinct deformation patterns between the two columns as the Weber number increases.Additionally,an extended exponential stretching law model was devised,and its improved capability to predict the deformation patterns was demonstrated.展开更多
The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molec...The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.展开更多
The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effe...The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effect.It is found that the vibronic effect converts the dipole-forbidden excitation of the ^(1)A_(2) into a dipole-allowed one,which enhances the intensities of the corresponding generalized oscillator strength in the small squared momentum transfer region.The present investigation shows that the vibronic effect of H_(2)O is slightly stronger than that of D_(2)O,which exhibits a clear isotopic effect.展开更多
A novel scheme to suppress both stimulated Brillouin scattering(SBS) and stimulated Raman scattering(SRS) by combining an alternating frequency(AF) laser and a transverse magnetic field is proposed. The AF laser allow...A novel scheme to suppress both stimulated Brillouin scattering(SBS) and stimulated Raman scattering(SRS) by combining an alternating frequency(AF) laser and a transverse magnetic field is proposed. The AF laser allows the laser frequency to change discretely and alternately over time. The suppression of SBS is significant as long as the AF difference is greater than the linear growth rate of SBS or the alternating time of the laser frequency is shorter than the linear growth time of SBS. However, the AF laser proves ineffective in suppressing SRS, which usually has a much higher linear growth rate than SBS. To remedy that, a transverse magnetic field is included to suppress the SRS instability. The electrons trapped in the electron plasma waves(EPWs) of SRS can be accelerated by the surfatron mechanism in a transverse magnetic field and eventually detrapped. While continuously extracting energy from EPWs, the EPWs are dissipated and the kinetic inflation of SRS is suppressed. The one-dimensional particle-in-cell simulation results show that both SBS and SRS can be effectively suppressed by combining the AF laser with a transverse magnetic field with tens of Tesla. The total reflectivity can be dramatically reduced by more than one order of magnitude. These results provide a potential reference for controlling SBS and SRS under the related parameters of inertial confinement fusion.展开更多
Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides.In this study,we hav...Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides.In this study,we have developed a phasefield model based on the assumption of elastic behaviour within a specific temperature range(613 K-653 K).This model allows us to study the influence of temperature and interfacial effects on the morphology,stress,and average growth rate of zirconium hydride.The results suggest that changes in temperature and interfacial energy influence the length-to-thickness ratio and average growth rate of the hydride morphology.The ultimate determinant of hydride orientation is the loss of interfacial coherency,primarily induced by interfacial dislocation defects and quantifiable by the mismatch degree q.An escalation in interfacial coherency loss leads to a transition of hydride growth from horizontal to vertical,accompanied by the onset of redirection behaviour.Interestingly,redirection occurs at a critical mismatch level,denoted as qc,and remains unaffected by variations in temperature and interfacial energy.However,this redirection leads to an increase in the maximum stress,which may influence the direction of hydride crack propagation.This research highlights the importance of interfacial coherency and provides valuable insights into the morphology and growth kinetics of hydrides in zirconium alloys.展开更多
An experiment on 100 k J laser facility is performed to study the motive features and radiation properties of plasmas from different areas inside gas-filled cylindrical hohlraums.These hohlraums are designed to posses...An experiment on 100 k J laser facility is performed to study the motive features and radiation properties of plasmas from different areas inside gas-filled cylindrical hohlraums.These hohlraums are designed to possess one open end and one laser entrance hole(LEH)with different diameters,which would or not result in the blocking of the LEH.An x-ray streak camera that is set at 16 degrees with respect to the hohlraum axis is applied to acquire the timeresolved x-ray images from the open end.Based on the images,we can study the evolutions of the wall plasma,corona bubble plasma and LEH plasma simultaneously through an equivalent view field of hohlraum interior.Multi-group flat response x-ray detectors are applied to measure the x-ray fluxes.In order to understand these characteristics,our two-dimensional radiation hydrodynamic code is used to simulate the experimental results.For the accuracy of reproduction,dielectronic recombination and two parameter corrections are applied in our code.Based on the comparison between experiments and simulations,we quantitatively understand the blocking process of LEH and the motion effects of other plasmas.The calibrated code is beneficial to design the gas-filled hohlraum in a nearby parameter space,especially the limit size of LEH.展开更多
Correction to:Nuclear Science and Techniques(2024)35:61 https://doi.org/10.1007/s41365-024-01421-5 In this article,the figures were wrongly numbered.The Fig.7 and 8 should have been Fig.11 and 12.The Fig.9,10,11,and 1...Correction to:Nuclear Science and Techniques(2024)35:61 https://doi.org/10.1007/s41365-024-01421-5 In this article,the figures were wrongly numbered.The Fig.7 and 8 should have been Fig.11 and 12.The Fig.9,10,11,and 12 should have been 7,8,9 and 10.The original article has been corrected.展开更多
The mathematical model used to describe the detonation multi-physics phenomenon is usually given by highly coupled nonlinear partial differential equations. Numerical simulation and the computer aided engineering (CAE...The mathematical model used to describe the detonation multi-physics phenomenon is usually given by highly coupled nonlinear partial differential equations. Numerical simulation and the computer aided engineering (CAE) technique has become the third pillar of detonation research, along with theory and experiment, due to the detonation phenomenon is difficult to explain by the theoretical analysis, and the cost required to accredit the reliability of detonation products is very high, even some physical experiments of detonation are impossible. The numerical simulation technique can solve these complex problems in the real situation repeatedly and reduce the design cost and time stunningly. But the reliability of numerical simulation software and the serviceability of the computational result seriously hinders the extension, application and the self-restoration of the simulation software, restricts its independently innovational ability. This article deals with the physical modeling, numerical simulation, and software development of detonation in a unified way. Verification and validation and uncertainty quantification (V&V&UQ) is an important approach in ensuring the credibility of the modeling and simulation of detonation. V&V of detonation is based on our independently developed detonation multiphysics software-LAD2D. We propose the verification method based on mathematical theory and program function as well as availability of its program execution. Validation is executed by comparing with the experiment data. At last, we propose the future prospect of numerical simulation software and the CAE technique, and we also pay attention to the research direction of V&V&UQ.展开更多
Recent experiments on the implosions of 15-mm long and 2-μm thick aluminum liners having a diameter of 12.8 mm have been performed on the primary test stand(PTS) facility. The stratified structures are observed as al...Recent experiments on the implosions of 15-mm long and 2-μm thick aluminum liners having a diameter of 12.8 mm have been performed on the primary test stand(PTS) facility. The stratified structures are observed as alternating dark and light transverse stripes in the laser shadowgraph images. These striations perpendicular to the current flow are formed early in the implosion, i.e., at the stage when the bulk of the material mass was almost at rest. A two-dimensional(2 D)magnetohydrodynamics(MHD) code is employed to simulate the behavior of liner dynamics in the early phases. It is found that the striations may be produced by the electrothermal instability(ETI) that results from non-uniform Joule heating due to the characteristic relation between the resistivity and the temperature. In 2 D simulations, the stratified structures can be seen obviously in both density and temperature contours as the liner expands rapidly. By analyzing instability spectrum, the dominant wavelengths of the perturbations are 8.33 μm–20.0 μm, which agree qualitatively with the theoretical predictions.It is also interesting to show that ETI provides a significant seed to the subsequent magneto Rayleigh–Taylor(MRT)instability.展开更多
Montmorillonite is a kind of clay mineral which often causes large deformation in soft-rock tunnel engineering and thus brings about safety problems in practice.To deal with these engineering safety problems,the physi...Montmorillonite is a kind of clay mineral which often causes large deformation in soft-rock tunnel engineering and thus brings about safety problems in practice.To deal with these engineering safety problems,the physical and chemical properties of montmorillonite should be studied from basic viewpoints.We study the atomic and electronic structures of montmorillonite by using density-functional theory within the local-density approximation （LDA）.The results of calculation show that Al-O bond lengths are longer than Si-O bond lengths.It is found that both the valence band maximum （VBM） and the conduction band minimum （CBM） of montmorillonite are at point Г,and the calculated direct band gap of montmorillonite is 5.35 eV. We show that the chemical bonding between cations and oxygen anions in montmorillonite is mainly ionic,accompanied as well by a minor covalent component.It is pointed out that the VBM and CBM of montmorillonite consist of oxygen 2p and cation s states,respectively.Our calculated results help to understand the chemical and physical properties of montmorillonite,and are expected to be a guide for solving the problem of large deformation of soft-rock tunnels.展开更多
In this paper, we prove the existence and uniqueness of the weak solution to the incompressible Navier-Stokes-Landau-Lifshitz equations in two-dimension with finite energy.The main techniques is the Faedo-Galerkin app...In this paper, we prove the existence and uniqueness of the weak solution to the incompressible Navier-Stokes-Landau-Lifshitz equations in two-dimension with finite energy.The main techniques is the Faedo-Galerkin approximation and weak compactness theory.展开更多
The nuclear data of n+^(240;242;244)Pu reactions for incident energy below 200 MeV are calculated and evaluated to meet the requirement in the design of an accelerator-driven subcritical system. The optical model is u...The nuclear data of n+^(240;242;244)Pu reactions for incident energy below 200 MeV are calculated and evaluated to meet the requirement in the design of an accelerator-driven subcritical system. The optical model is used to calculate the total, nonelastic, shape elastic cross sections, shape elastic scattering angular distributions, and transmission coefficients. The distorted-wave Born approximation is applied to calculate the direct inelastic scatterings to the discrete excited states. The nuclear reaction statistical models and fission theory are applied to describe neutron, proton, deuteron, triton, helium-3, alpha and c emissions, and fission consistently. The results thus obtained are compared with experimental data and the evaluated data obtained from ENDF/B-VII.1 and JENDL-4.0.展开更多
The electronic structures and properties of PuO2 and Pu2O3 have been studied according to the first principles by using the all-electron projector-augmented-wave （PAW） method. The local density approximation （LDA）...The electronic structures and properties of PuO2 and Pu2O3 have been studied according to the first principles by using the all-electron projector-augmented-wave （PAW） method. The local density approximation （LDA）＋U and the generalized gradient approximation （GGA）＋U formalisms have been used to account for the strong on-site Coulomb repulsion among the localized Pu 5f electrons. We discuss how the properties of PuO2 and Pu2O3 are affected by choosing the values of U and exchange-correlation potential. Also, the oxidation reaction of Pu2O3, leading to the formation of PuO2, and its dependence on U and exchange-correlation potential have been studied. Our results show that by choosing an appropriate U it is possible to consistently describe structural, electronic, and thermodynamic properties of PuO2 and Pu2O3, which enable the modelling of the redox process involving Pu-based materials.展开更多
基金supported by the Science Challenge Project of China Academy of Engineering Physics(CAEP)(Grant No.TZ2018005)the National Natural Science Foundation of China(Grant Nos.12474277,12374259,12104095,12074081,and 12074082).
文摘For the observed line at 799.23°A in tungsten EBIT experiment,which was assigned to be^(3)F_(4)^(o)−^(3)F_(3)^(o)([Ar]4s^(2)4p^(5)4d)of W^(38+)ion,there were noticeable deviations for most calculated wavelengths from the measured value.To clarify this issue,we carry out an extensive calculation for energy levels and transition properties of W^(38+)ion using the multi-configuration Dirac–Hartree–Fock and relativistic configuration interaction method,in which more deeper inner core electron correlations are included,and different forms of Breit interaction as well as quantum electrodynamics corrections are investigated.It is found that the inner core electron correlations can affect the total energy of levels,while only slightly modify the excited energy of levels in 4s^(2)4p^(5)4d complex.The present calculated wavelengths agree with the corresponding measured values excellently except the line at 799.23Å.Thus we are strongly suspicious this line should be misidentified,and suggest that new experiment with higher resolution and spectra analysis based on more accurate atomic data should be performed for W^(38+)ion.
基金supported by the National Natural Science Foundation of China(No.U23B2067)Innovation Program of CAEP(No.CX20210045)。
文摘In response to the demand for rapid geometric modeling in Monte Carlo radiation transportation calculations for large-scale and complex geometric scenes,functional improvements,and algorithm optimizations were performed using CAD-to-Monte Carlo geometry conversion(CMGC)code.Boundary representation(BRep)to constructive solid geometry(CSG)conversion and visual CSG modeling were combined to address the problem of non-convertible geometries such as spline surfaces.The splitting surface assessment method in BRep-to-CSG conversion was optimized to reduce the number of Boolean operations using an Open Cascade.This,in turn,reduced the probability of CMGC conversion failure.The auxiliary surface generation algorithm was optimized to prevent the generation of redundant auxiliary surfaces that cause an excessive decomposition of CAD geometry solids.These optimizations enhanced the usability and stability of the CMGC model conversion.CMGC was applied successfully to the JMCT transportation calculations for the conceptual designs of five China Fusion Engineering Test Reactor(CFETR)blankets.The rapid replacement of different blanket schemes was achieved based on the baseline CFETR model.The geometric solid number of blankets ranged from hundreds to tens of thousands.The correctness of the converted CFETR models using CMGC was verified through comparisons with the MCNP calculation results.The CMGC supported radiation field evaluations for a large urban scene and detailed ship scene.This enabled the rapid conversion of CAD models with thousands of geometric solids into Monte Carlo CSG models.An analysis of the JMCT transportation simulation results further demonstrated the accuracy and effectiveness of the CMGC.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12205023,U2230401,12374056,U23A20537,11904027)。
文摘A thermodynamically complete multi-phase equation of state(EOS)applicable to both dense and porous metals at wide ranges of temperature and pressure is constructed.A standard three-term decomposition of the Helmholtz free energy as a function of specific volume and temperature is presented,where the cold component models both compression and expansion states,the thermal ion component introduces the Debye approximation and melting entropy,and the thermal electron component employs the Thomas-Fermi-Kirzhnits(TFK)model.The porosity of materials is considered by introducing the dynamic porosity coefficientαand the constitutive P-αrelation,connecting the thermodynamic properties between dense and porous systems,allowing for an accurate description of the volume decrease caused by void collapse while maintaining the quasi-static thermodynamic properties of porous systems identical to the dense ones.These models enable the EOS applicable and robust at wide ranges of temperature,pressure and porosity.A systematic evaluation of the new EOS is conducted with aluminum(Al)as an example.300 K isotherm,shock Hugoniot,as well as melting curves of both dense and porous Al are calculated,which shows great agreements with experimental data and validates the effectiveness of the models and the accuracy of parameterizations.Notably,it is for the first time Hugoniot P-σcurves up to 10~6 GPa and shock melting behaviors of porous Al are derived from analytical EOS models,which predict much lower compression limit and shock melting temperatures than those of dense Al.
基金supported by the National Key Research and Development Program of China(Grant No.2022YFA1602502)the National Natural Science Foundation of China(Grant No.12450404).
文摘Rotational dynamics simulations of neutral O_(2)molecules driven by linearly,elliptically and circularly polarized femtosecond pulsed lasers are carried out using a full quantum time-dependent wave packet evolution method.Here,the direction of laser propagation is set along the z axis,and the polarization plane is restricted to the xy plane.The results indicate that the alignment of O_(2)molecules in the z direction is weakly affected by varying the ellipticity when the total laser intensity is held constant.For rotation within the xy plane,the linearly polarized laser significantly excites rotational motion,with the degree of excitation increasing as the ellipticity increases.In contrast,under the influence of a circularly polarized laser,the angular distribution of O_(2)molecules in the xy plane remains isotropic.Additionally,the effects of the initial rotational quantum number,the temperature of the O_(2)molecules and the nuclear spin on laser-induced alignment are discussed.
基金supported by the Research Foundation for Higher Level Talents of West Anhui University(Grant No.WGKQ2021005).
文摘Employing two fully relativistic methods,the multi-reference configuration Dirac-Hartree-Fock(MCDHF)methodand the relativistic many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the lowest35 energy levels of the(1s^(2))nl configurations(where the principal quantum number n=2-6 and the angular quantum numberl=0,...,n-1)of lithium-like germanium(Ge XXX),as well as complete data on the transition wavelengths,radiativerates,absorption oscillator strengths,and line strengths between the levels.Both the allowed(E1)and forbidden(magneticdipole M1,magnetic quadrupole M2,and electric quadrupole E2)ones are reported.The results from the two methodsare consistent with each other and align well with previous accurate experimental and theoretical findings.We assess theoverall accuracies of present RMBPT results to be likely the most precise ones to date.The present fully relativistic resultsshould be helpful for soft x-ray laser research,spectral line identification,plasma modeling and diagnosing.The datasetspresented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00113.00135.
基金supported by the National Natural Science Foundation of China(No.12065003)the Guangxi Key R&D Project(2023AB07029)+1 种基金the Scientific Research and Technology Development Project of Guilin(20210104-2)the Central Government Guides Local Scientific and Technological Development Funds of China(Guike ZY22096024)。
文摘Based on the unified Hauser–Feshbach and exciton model,which can describe the particle emission processes between discrete energy levels with energy,angular momentum,and parity conservations,a statistical theory of light nucleus reaction(STLN)is developed to calculate the double-differential cross-sections of the outgoing neutron and light charged particles for the proton-induced^(6) Li reaction.A significant difference is observed between the p+^(6) Li and p+^(7) Li reactions owing to the discrepancies in the energy-level structures of the targets.The reaction channels,including sequential and simultaneous emission processes,are analyzed in detail.Taking the double-differential cross-sections of the outgoing proton as an example,the influence of contaminations(such as^(1) H,^(7)Li,^(12)C,and^(16)O)on the target is identified in terms of the kinetic energy of the first emitted particles.The optical potential parameters of the proton are obtained by fitting the elastic scattering differential cross-sections.The calculated total double-differential cross-sections of the outgoing proton and deuteron at E_(p)=14 MeV agree well with the experimental data for different outgoing angles.Simultaneously,the mixed double differential cross-sections of^(3) He andαare in good agreement with the measurements.The agreement between the measured data and calculated results indicates that the two-body and three-body breakup reactions need to be considered,and the pre-equilibrium reaction mechanism dominates the reaction processes.Based on the STLN model,a PLUNF code for the p+^(6) Li reaction is developed to obtain an ENDF-6-formatted file of the double-differential cross-sections of the nucleon and light composite charged particles.
基金supported by the National Natural Science Foundation of China(Grant Nos.U23A_(2)0537,U2230401,and 52371174)Funding of National Key Laboratory of Computational Physics.
文摘Based on ab initio calculations,we utilize the mean-field potential approach with the quantum modification in conjunction with stress–strain relation to investigate the elastic anisotropies and sound velocities of hcp and bcc Be under high-temperature(0–6000 K)and high-pressure(0–500 GPa)conditions.We propose a general definition of anisotropy for elastic moduli and sound velocities.Results suggest that the elastic anisotropy of Be is more significantly influenced by pressure than by temperature.The pressure-induced increase of c/a ratio makes the anisotropy of hcp Be significantly strengthen.Nevertheless,the hcp Be still exhibits smaller anisotropy than bcc Be in terms of elastic moduli and sound velocities.We suggest that measuring the anisotropy in shear sound velocity may be an approach to distinguishing the hcp–bcc phase transition under extreme conditions.
基金supported by the National Natural Science Foundation of China (Grant Nos.12202070 and 11772065)the Foundation of National Key Laboratory of Computational Physics.
文摘The interaction between shock waves and multiple cylinders,referred to as shock–cylinder interaction(SCI),is an important phenomenon in science and engineering.However,its underlying physical mechanisms remain unclear.This study entailed the numerical simulation of the aerobreakup of two tandem water columns subjected to a high-speed gas flow by using an adaptive mesh refinement(AMR)-based diffusion-interface model.The objective was to elucidate the changes in water–column deformation patterns over a wide range of Weber numbers.Statistical analysis was performed to examine the deformation of the water columns in vertical directions.Results reveal distinct deformation patterns between the two columns as the Weber number increases.Additionally,an extended exponential stretching law model was devised,and its improved capability to predict the deformation patterns was demonstrated.
基金Project supported by the Natural Science Foundation of Heilongjiang Province,China(Grant No.LH2022A026)the National Key Research and Development Program of China(Grant No.2022YFA1602500)+2 种基金the National Natural Science Foundation of China(Grant No.11934004)Fundamental Research Funds in Heilongjiang Province Universities,China(Grant No.145109309)Foundation of National Key Laboratory of Computational Physics(Grant No.6142A05QN22006)。
文摘The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12334010,12174259,and 11604003)。
文摘The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effect.It is found that the vibronic effect converts the dipole-forbidden excitation of the ^(1)A_(2) into a dipole-allowed one,which enhances the intensities of the corresponding generalized oscillator strength in the small squared momentum transfer region.The present investigation shows that the vibronic effect of H_(2)O is slightly stronger than that of D_(2)O,which exhibits a clear isotopic effect.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.11975059 and 12005021)。
文摘A novel scheme to suppress both stimulated Brillouin scattering(SBS) and stimulated Raman scattering(SRS) by combining an alternating frequency(AF) laser and a transverse magnetic field is proposed. The AF laser allows the laser frequency to change discretely and alternately over time. The suppression of SBS is significant as long as the AF difference is greater than the linear growth rate of SBS or the alternating time of the laser frequency is shorter than the linear growth time of SBS. However, the AF laser proves ineffective in suppressing SRS, which usually has a much higher linear growth rate than SBS. To remedy that, a transverse magnetic field is included to suppress the SRS instability. The electrons trapped in the electron plasma waves(EPWs) of SRS can be accelerated by the surfatron mechanism in a transverse magnetic field and eventually detrapped. While continuously extracting energy from EPWs, the EPWs are dissipated and the kinetic inflation of SRS is suppressed. The one-dimensional particle-in-cell simulation results show that both SBS and SRS can be effectively suppressed by combining the AF laser with a transverse magnetic field with tens of Tesla. The total reflectivity can be dramatically reduced by more than one order of magnitude. These results provide a potential reference for controlling SBS and SRS under the related parameters of inertial confinement fusion.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.U2230401,U1930401,and 12004048)the National Key Research and Development Program of China (Grant No.2021YFB3501503)+1 种基金the Science Challenge Project (Grant No.TZ2018002)the Foundation of LCP。
文摘Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides.In this study,we have developed a phasefield model based on the assumption of elastic behaviour within a specific temperature range(613 K-653 K).This model allows us to study the influence of temperature and interfacial effects on the morphology,stress,and average growth rate of zirconium hydride.The results suggest that changes in temperature and interfacial energy influence the length-to-thickness ratio and average growth rate of the hydride morphology.The ultimate determinant of hydride orientation is the loss of interfacial coherency,primarily induced by interfacial dislocation defects and quantifiable by the mismatch degree q.An escalation in interfacial coherency loss leads to a transition of hydride growth from horizontal to vertical,accompanied by the onset of redirection behaviour.Interestingly,redirection occurs at a critical mismatch level,denoted as qc,and remains unaffected by variations in temperature and interfacial energy.However,this redirection leads to an increase in the maximum stress,which may influence the direction of hydride crack propagation.This research highlights the importance of interfacial coherency and provides valuable insights into the morphology and growth kinetics of hydrides in zirconium alloys.
基金supported by National Natural Science Foundation of China(Nos.12075219,12105269 and 12175210)。
文摘An experiment on 100 k J laser facility is performed to study the motive features and radiation properties of plasmas from different areas inside gas-filled cylindrical hohlraums.These hohlraums are designed to possess one open end and one laser entrance hole(LEH)with different diameters,which would or not result in the blocking of the LEH.An x-ray streak camera that is set at 16 degrees with respect to the hohlraum axis is applied to acquire the timeresolved x-ray images from the open end.Based on the images,we can study the evolutions of the wall plasma,corona bubble plasma and LEH plasma simultaneously through an equivalent view field of hohlraum interior.Multi-group flat response x-ray detectors are applied to measure the x-ray fluxes.In order to understand these characteristics,our two-dimensional radiation hydrodynamic code is used to simulate the experimental results.For the accuracy of reproduction,dielectronic recombination and two parameter corrections are applied in our code.Based on the comparison between experiments and simulations,we quantitatively understand the blocking process of LEH and the motion effects of other plasmas.The calibrated code is beneficial to design the gas-filled hohlraum in a nearby parameter space,especially the limit size of LEH.
文摘Correction to:Nuclear Science and Techniques(2024)35:61 https://doi.org/10.1007/s41365-024-01421-5 In this article,the figures were wrongly numbered.The Fig.7 and 8 should have been Fig.11 and 12.The Fig.9,10,11,and 12 should have been 7,8,9 and 10.The original article has been corrected.
基金supported by Science Challenge Project [No TZ2018001]Shandong Provincial Natural Science Foundation [No ZR2017BA014]+1 种基金National Natural Science Foundation of China [No91630312]the Development Program for Defense Ministry of China [No.C1520110002]
文摘The mathematical model used to describe the detonation multi-physics phenomenon is usually given by highly coupled nonlinear partial differential equations. Numerical simulation and the computer aided engineering (CAE) technique has become the third pillar of detonation research, along with theory and experiment, due to the detonation phenomenon is difficult to explain by the theoretical analysis, and the cost required to accredit the reliability of detonation products is very high, even some physical experiments of detonation are impossible. The numerical simulation technique can solve these complex problems in the real situation repeatedly and reduce the design cost and time stunningly. But the reliability of numerical simulation software and the serviceability of the computational result seriously hinders the extension, application and the self-restoration of the simulation software, restricts its independently innovational ability. This article deals with the physical modeling, numerical simulation, and software development of detonation in a unified way. Verification and validation and uncertainty quantification (V&V&UQ) is an important approach in ensuring the credibility of the modeling and simulation of detonation. V&V of detonation is based on our independently developed detonation multiphysics software-LAD2D. We propose the verification method based on mathematical theory and program function as well as availability of its program execution. Validation is executed by comparing with the experiment data. At last, we propose the future prospect of numerical simulation software and the CAE technique, and we also pay attention to the research direction of V&V&UQ.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11805019,11775032,11605013,and 11705013)
文摘Recent experiments on the implosions of 15-mm long and 2-μm thick aluminum liners having a diameter of 12.8 mm have been performed on the primary test stand(PTS) facility. The stratified structures are observed as alternating dark and light transverse stripes in the laser shadowgraph images. These striations perpendicular to the current flow are formed early in the implosion, i.e., at the stage when the bulk of the material mass was almost at rest. A two-dimensional(2 D)magnetohydrodynamics(MHD) code is employed to simulate the behavior of liner dynamics in the early phases. It is found that the striations may be produced by the electrothermal instability(ETI) that results from non-uniform Joule heating due to the characteristic relation between the resistivity and the temperature. In 2 D simulations, the stratified structures can be seen obviously in both density and temperature contours as the liner expands rapidly. By analyzing instability spectrum, the dominant wavelengths of the perturbations are 8.33 μm–20.0 μm, which agree qualitatively with the theoretical predictions.It is also interesting to show that ETI provides a significant seed to the subsequent magneto Rayleigh–Taylor(MRT)instability.
基金Project supported by the National Key Basic Research Program of China (Grant No 2006CB202200)the Program for Changjiang Scholars and Innovative Research Team in University of China (Grant No IRT0656)the National Natural Science Foundation of China (Grant No 50490270)
文摘Montmorillonite is a kind of clay mineral which often causes large deformation in soft-rock tunnel engineering and thus brings about safety problems in practice.To deal with these engineering safety problems,the physical and chemical properties of montmorillonite should be studied from basic viewpoints.We study the atomic and electronic structures of montmorillonite by using density-functional theory within the local-density approximation （LDA）.The results of calculation show that Al-O bond lengths are longer than Si-O bond lengths.It is found that both the valence band maximum （VBM） and the conduction band minimum （CBM） of montmorillonite are at point Г,and the calculated direct band gap of montmorillonite is 5.35 eV. We show that the chemical bonding between cations and oxygen anions in montmorillonite is mainly ionic,accompanied as well by a minor covalent component.It is pointed out that the VBM and CBM of montmorillonite consist of oxygen 2p and cation s states,respectively.Our calculated results help to understand the chemical and physical properties of montmorillonite,and are expected to be a guide for solving the problem of large deformation of soft-rock tunnels.
文摘In this paper, we prove the existence and uniqueness of the weak solution to the incompressible Navier-Stokes-Landau-Lifshitz equations in two-dimension with finite energy.The main techniques is the Faedo-Galerkin approximation and weak compactness theory.
基金supported by the National Natural Science Foundation of China-NSAF(No.U1630122)IAEA Coordinated Research Projects(CRPs)on Recommended Input Parameter Library(RIPL)for Fission Cross Section Calculations(No.20464)
文摘The nuclear data of n+^(240;242;244)Pu reactions for incident energy below 200 MeV are calculated and evaluated to meet the requirement in the design of an accelerator-driven subcritical system. The optical model is used to calculate the total, nonelastic, shape elastic cross sections, shape elastic scattering angular distributions, and transmission coefficients. The distorted-wave Born approximation is applied to calculate the direct inelastic scatterings to the discrete excited states. The nuclear reaction statistical models and fission theory are applied to describe neutron, proton, deuteron, triton, helium-3, alpha and c emissions, and fission consistently. The results thus obtained are compared with experimental data and the evaluated data obtained from ENDF/B-VII.1 and JENDL-4.0.
基金Project supported by the National Natural Science Foundation of China (Grant No 10604010)
文摘The electronic structures and properties of PuO2 and Pu2O3 have been studied according to the first principles by using the all-electron projector-augmented-wave （PAW） method. The local density approximation （LDA）＋U and the generalized gradient approximation （GGA）＋U formalisms have been used to account for the strong on-site Coulomb repulsion among the localized Pu 5f electrons. We discuss how the properties of PuO2 and Pu2O3 are affected by choosing the values of U and exchange-correlation potential. Also, the oxidation reaction of Pu2O3, leading to the formation of PuO2, and its dependence on U and exchange-correlation potential have been studied. Our results show that by choosing an appropriate U it is possible to consistently describe structural, electronic, and thermodynamic properties of PuO2 and Pu2O3, which enable the modelling of the redox process involving Pu-based materials.
