Using the Skyrme density functional theory,potential energy surfaces of^(240)Pu with constraints on the axial quadrupole and octupole deformations(q_(20)and q_(30))were calculated.The volume-like and surface-like pair...Using the Skyrme density functional theory,potential energy surfaces of^(240)Pu with constraints on the axial quadrupole and octupole deformations(q_(20)and q_(30))were calculated.The volume-like and surface-like pairing forces,as well as a combination of these two forces,were used for the Hartree–Fock–Bogoliubov approximation.Variations in the least-energy fission path,fission barrier,pairing energy,total kinetic energy,scission line,and mass distribution of the fission fragments based on the different forms of the pairing forces were analyzed and discussed.The fission dynamics were studied based on the timedependent generator coordinate method plus the Gaussian overlap approximation.The results demonstrated a sensitivity of the mass and charge distributions of the fission fragments on the form of the pairing force.Based on the investigation of the neutron-induced fission of^(239)Pu,among the volume,mixed,and surface pairing forces,the mixed pairing force presented a good reproduction of the experimental data.展开更多
A statistical mechanics method is proposed for calculation of potential of mean force (PMF). In the case of solvophobic or solvophilic macroparticles immersed in solvent bath of soft sphere or Lennard-Jones particles,...A statistical mechanics method is proposed for calculation of potential of mean force (PMF). In the case of solvophobic or solvophilic macroparticles immersed in solvent bath of soft sphere or Lennard-Jones particles, prediction accuracy for the PMF and MF from the simplest implementation of the proposed method, where hypernetted chain approximation is adopted for correlation of the macroparticle-macroparticle at infinitely dilute limit, is comparable to that of a recent more sophisticated approach based on mixture Ornstein-Zernike integral equation / bridge function from fundamental measure functional. Adaptation of the present method for general complex fluids is discussed, and method for improving the accuracy is suggested. Differences and relative merits of the present recipe compared with that based on potential distribution theory is discussed.展开更多
A recently proposed universal calculational recipe for solvent-mediated potential is applied to calculate excess potential of mean force between two large Lennard-Jones (LJ) or hard core attractive Yukawa particles im...A recently proposed universal calculational recipe for solvent-mediated potential is applied to calculate excess potential of mean force between two large Lennard-Jones (LJ) or hard core attractive Yukawa particles immersed in small LJ solvent bath at supercritical state. Comparison between the present prediction with a hypernetted chain approximation adopted for solute-solute correlation at infinitely dilute limit and existing simulation data shows high accuracy for the region with large separation, and qualitative reliability for the solute particle contact region. The calculational simplicity of the present recipe allows for a detailed investigation on the effect of the solute-solvent and solvent-solvent interaction details on the excess potential of mean force. The resultant conclusion is that gathering of solvent particles near a solute particle leads to repulsive excess PMF, while depletion of solvent particles away from the solute particle leads to attractive excess PMF, and minor change of the solvent-solvent interaction range has large influence on the excess PMF.展开更多
In recent several years,the tensor force,one of the most important components of the nucleon-nucleon force,has been implemented in time-dependent density functional theories and it has been found to influence many asp...In recent several years,the tensor force,one of the most important components of the nucleon-nucleon force,has been implemented in time-dependent density functional theories and it has been found to influence many aspects of low-energy heavy-ion reactions,such as dissipation dynamics,sub-barrier fusions,and low-lying vibration states of colliding partners.Especially,the effects of tensor force on fusion reactions have been investigated from the internuclear potential to fusion crosssections systematically.In this work,we present a mini review on the recent progress on this topic.Considering the recent progress of low-energy reaction theories,we will also mention more possible effects of the tensor force on reaction dynamics.展开更多
基金supported by the National Key R&D Program of China(No.2022YFA1602000)National Natural Science Foundation of China(Nos.12275081,U2067205,11790325,and U1732138)the Continuous-support Basic Scientific Research Project。
文摘Using the Skyrme density functional theory,potential energy surfaces of^(240)Pu with constraints on the axial quadrupole and octupole deformations(q_(20)and q_(30))were calculated.The volume-like and surface-like pairing forces,as well as a combination of these two forces,were used for the Hartree–Fock–Bogoliubov approximation.Variations in the least-energy fission path,fission barrier,pairing energy,total kinetic energy,scission line,and mass distribution of the fission fragments based on the different forms of the pairing forces were analyzed and discussed.The fission dynamics were studied based on the timedependent generator coordinate method plus the Gaussian overlap approximation.The results demonstrated a sensitivity of the mass and charge distributions of the fission fragments on the form of the pairing force.Based on the investigation of the neutron-induced fission of^(239)Pu,among the volume,mixed,and surface pairing forces,the mixed pairing force presented a good reproduction of the experimental data.
文摘A statistical mechanics method is proposed for calculation of potential of mean force (PMF). In the case of solvophobic or solvophilic macroparticles immersed in solvent bath of soft sphere or Lennard-Jones particles, prediction accuracy for the PMF and MF from the simplest implementation of the proposed method, where hypernetted chain approximation is adopted for correlation of the macroparticle-macroparticle at infinitely dilute limit, is comparable to that of a recent more sophisticated approach based on mixture Ornstein-Zernike integral equation / bridge function from fundamental measure functional. Adaptation of the present method for general complex fluids is discussed, and method for improving the accuracy is suggested. Differences and relative merits of the present recipe compared with that based on potential distribution theory is discussed.
文摘A recently proposed universal calculational recipe for solvent-mediated potential is applied to calculate excess potential of mean force between two large Lennard-Jones (LJ) or hard core attractive Yukawa particles immersed in small LJ solvent bath at supercritical state. Comparison between the present prediction with a hypernetted chain approximation adopted for solute-solute correlation at infinitely dilute limit and existing simulation data shows high accuracy for the region with large separation, and qualitative reliability for the solute particle contact region. The calculational simplicity of the present recipe allows for a detailed investigation on the effect of the solute-solvent and solvent-solvent interaction details on the excess potential of mean force. The resultant conclusion is that gathering of solvent particles near a solute particle leads to repulsive excess PMF, while depletion of solvent particles away from the solute particle leads to attractive excess PMF, and minor change of the solvent-solvent interaction range has large influence on the excess PMF.
基金supported by the National Natural Science Foundation of China(Grants No.11975237,No.11575189,and No.11790325)the Strategic Priority Research Program of Chinese Academy of Sciences(Grant No.XDB34010000 and No.XDPB15)
文摘In recent several years,the tensor force,one of the most important components of the nucleon-nucleon force,has been implemented in time-dependent density functional theories and it has been found to influence many aspects of low-energy heavy-ion reactions,such as dissipation dynamics,sub-barrier fusions,and low-lying vibration states of colliding partners.Especially,the effects of tensor force on fusion reactions have been investigated from the internuclear potential to fusion crosssections systematically.In this work,we present a mini review on the recent progress on this topic.Considering the recent progress of low-energy reaction theories,we will also mention more possible effects of the tensor force on reaction dynamics.
