All-solid-state batteries(ASSBs)represent a next-generation energy storage technology,offering enhanced safety,higher energy density,and improved cycling stability compared to conventional liquid-electrolyte-based lit...All-solid-state batteries(ASSBs)represent a next-generation energy storage technology,offering enhanced safety,higher energy density,and improved cycling stability compared to conventional liquid-electrolyte-based lithium-ion batteries.Understanding and optimizing the complex chemistries and interfaces that underpin ASSB performance present significant challenges from both experimental and modeling perspectives.In particular,atomistic simulations face difficulties in capturing the complex structure,disorder,and dynamic evolution of materials and interfaces under practically relevant conditions.While established methods such as density functional theory and classical force fields have provided valuable insights,some questions remain difficult to address,particularly those involving large system sizes or long timescales.Recently,machine learning interatomic potentials(MLIPs)have emerged as a transformative tool,enabling atomistic simulations at length and time scales that were previously challenging to access with conventional approaches.By delivering near first-principles accuracy with much greater efficiency,MLIPs open new avenues for large-scale,long-timescale,and high-throughput simulations of solid-state battery materials.In this review,we present a comparative overview of density functional theory,classical force fields,and MLIPs,highlighting their respective strengths and limitations in ASSB research.We then discuss how MLIPs enable simulations that reach longer timescales,larger system sizes,and support high-throughput calculations,providing unique insights into ion transport and interfacial evolution in ASSBs.Finally,we conclude with a summary and outlook on current challenges and future opportunities for expanding MLIP capabilities and accelerating their impact in solid-state battery research.展开更多
Recursively embedded atom neural network(REANN)is a general-purpose atomistic machine learning software package for representing potential energy and other physical properties.The original REANN 1.0 architecture is a ...Recursively embedded atom neural network(REANN)is a general-purpose atomistic machine learning software package for representing potential energy and other physical properties.The original REANN 1.0 architecture is a physically inspired invariant message passing neural network,which was designed for systems with a limited number of elements.It is efficient but hardly transferable to more complex multi-element systems.In this work,we release REANN 2.0 aimed at multi-element systems and universal potentials,which integrates element embedding and equivariant representation.Compared to the first version,REANN 2.0 demonstrates enhanced ele-ment transferability and higher accuracy across various periodic systems with higher efficiency.Built upon this framework,a pre-trained REANN-MPtrj model without fine-tuning accurately predicts the lithium-ion diffusion dynamics in a benchmark solid-state electrolyte Li_(3)YCl_(6).We hope this open-source software package will facilitate the development of computationally efficient universal potentials in the future.展开更多
We present a calculation by including the relativistic and off-shell contributions to the interaction potentials between two spin-1/2 fermions mediated by the exchange of light spin-0 particles,in both momentum and co...We present a calculation by including the relativistic and off-shell contributions to the interaction potentials between two spin-1/2 fermions mediated by the exchange of light spin-0 particles,in both momentum and coordinate spaces.Our calculation is based on the four-point Green's function rather than the scattering amplitude.Among the sixteen potential components,eight that vanish in the non-relativistic limit are shown to acquire nonzero relativistic and off-shell corrections.In addition to providing relativistic and off-shell corrections to the operator basis commonly used in the literature,we introduce an alternative operator basis that facilitates the derivation of interaction potentials in the coordinate space.Furthermore,we calculate both the long-range and short-range components of the potentials,which can be useful for future experimental analyses at both macroscopic and atomic scales.展开更多
The emergence of meal replacement(MR)originates from physical exercise or fitness as a substitute for one or all meals and later expands to the field of weight loss.Indeed,the main application of current meal replacem...The emergence of meal replacement(MR)originates from physical exercise or fitness as a substitute for one or all meals and later expands to the field of weight loss.Indeed,the main application of current meal replacement is to lose body weight,whether patients with obesity,diabetes,fatty liver,infertile or pregnant women can benefit from weight loss.In addition,MRs still exhibit more biomedical potential in preventing and treating diseases,like anti-diabetes,improving fatty liver and kidney disease,preventing cancer,conceiving and reducing pregnancy complications,and improving life quality.Indeed,there are also disadvantages to meal replacement,including causing adverse effects,although most are acceptable and tolerated.To date,various commercially-developed MRs are walking from dining table to sickbed.Therefore,a scientific understanding of the advantages and disadvantages of meal replacements is crucial for their extensive application beyond biomedical potentials.展开更多
Based on the Skyrme energy density functional and reaction Q-value,this study proposed an effective nucleus-nucleus poten-tial for describing the capture barrier in heavy-ion fusion processes.The 443 extracted barrier...Based on the Skyrme energy density functional and reaction Q-value,this study proposed an effective nucleus-nucleus poten-tial for describing the capture barrier in heavy-ion fusion processes.The 443 extracted barrier heights were well reproduced with a root-mean-square(RMS)error of 1.53 MeV,and the RMS deviations with respect to 144 time-dependent Hartree-Fock capture barrier heights were only 1.05 MeV.Coupled with the Siwek-Wilczyński formula,wherein three parameters were determined by the proposed effective potentials,the measured capture cross sections at energies around the barriers were reasonably well reproduced for several fusion reactions induced by nearly spherical nuclei as well as by nuclei with large deformations,such as^(154)Sm and^(238)U.The shallow capture pockets and small values of the average barrier radii resulted in the reduction of the capture cross sections for 52,54Cr-and 64 Ni-induced reactions,which were related to the synthesis of new super-heavy nuclei.展开更多
BACKGROUND Exploring hypnotherapy's potential to modulate attention bias offers promising avenues for treating social anxiety disorder(SAD).AIM To determine if hypnotherapy can alleviate social anxiety by influenc...BACKGROUND Exploring hypnotherapy's potential to modulate attention bias offers promising avenues for treating social anxiety disorder(SAD).AIM To determine if hypnotherapy can alleviate social anxiety by influencing attention bias,specifically identifying the aspects of attention processes affected by hypnosis.METHODS In this study,69 SAD participants were divided into three groups based on their Liebowitz Social Anxiety Scale scores:Experimental group,control group,and baseline group.The experimental group(n=23)underwent six weekly hypnosis sessions,while the control(n=23)and baseline groups(n=23)received no treatment.To evaluate alterations in SAD severity and attention bias towards threatening stimuli following hypnotherapy,we employed a combination of self-report questionnaires,an odd-one-out task,and electroencephalography recordings.RESULTS The experimental group showed significant reductions in P1,N170,N2pc,and late positive potential(LPP)brain wave activities during attention sensitivity and disengagement conditions.This indicates that hypnotherapy modulates early-stage face processing and later-stage emotional evaluation of threat-related stimuli in SAD patients.CONCLUSION Our findings highlight P1,N170,N2pc,and LPP as key neural markers in SAD treatment.By identifying these neural markers influenced by hypnotherapy,we offer insight into the mechanisms by which this treatment modality impacts attentional processes,potentially easing SAD symptoms.展开更多
The exertion of a long-period potential on two-dimensional(2D)systems leads to band-structure downfolding and the formation of mini flat bands,thereby providing a route for band engineering and enabling the realizatio...The exertion of a long-period potential on two-dimensional(2D)systems leads to band-structure downfolding and the formation of mini flat bands,thereby providing a route for band engineering and enabling the realization of new physical phenomena through the tuning of electron–electron interactions.In this work,the effect of the moiré superlattice formed between the substrate and the bottom quintuple layer(QL)of 3-and 4-QL three-dimensional(3D)topological insulator Sb_(2)Te_(3) thin films on the top surface states is investigated.The scanning tunneling spectra reveal that the bulk-like bands exhibit potential variations consistent with the moirépattern.In contrast,the surface states display only minimal potential variations,resulting in the absence of mini-band formation in the top surface states.These surface states remain nearly unaffected,as confirmed by Landau-level spectroscopy and simulations.The results suggest distinct roles of the bottom-surface moirépotential on the bulk states and the top surface states in the weak coupling regime between the two surfaces.展开更多
This study aims to assess the potential of natural tourism in Kosovo,especially in the Dukagjin region as a case study.The main objective is to identify and analyze this region’s tourism potential to understand its i...This study aims to assess the potential of natural tourism in Kosovo,especially in the Dukagjin region as a case study.The main objective is to identify and analyze this region’s tourism potential to understand its impact and importance.180 respondents from the Dukagjin region participated in this study,and the quantitative method was used as a methodology.The measurement instrument consisted of 30 closed questions,which aimed to collect detailed information on the potential of natural tourism in this area.The study results showed that mountain,cultural,winter,healing,and rural tourism are especially important for developing the Dukagjin region.Furthermore,the analysis shows that 30%of the tourism potential is explained by rural tourism,underlining its importance in the local economy.Finally,the study’s findings are discussed,emphasizing their practical value for promoting and developing sustainable tourism in the region.展开更多
Solving the Dirac equation has played an important role in many areas of fundamental physics.In this work,we present the Dirac equation solver DiracSVT,which solves the Dirac equation with scalar,vector,and tensor nuc...Solving the Dirac equation has played an important role in many areas of fundamental physics.In this work,we present the Dirac equation solver DiracSVT,which solves the Dirac equation with scalar,vector,and tensor nuclear potentials in spherical coordinate space.The shooting method was used with a Runge–Kutta 4 integration scheme.The potentials are parameterized in a Woods–Saxon form,which reproduce well the known single-particle states around all doubly magic nuclei and can be applied to study the shell evolution of exotic nuclei.The code can be easily extended to the study of other systems,including atomic,hadron,and molecular physics.展开更多
Introducing PT-symmetric generalized Scarf-Ⅱpotentials into the three-coupled nonlinear Gross-Pitaevskii equations offers a new way to seek stable soliton states in quasi-onedimensional spin-1 Bose-Einstein condensat...Introducing PT-symmetric generalized Scarf-Ⅱpotentials into the three-coupled nonlinear Gross-Pitaevskii equations offers a new way to seek stable soliton states in quasi-onedimensional spin-1 Bose-Einstein condensates.In scenarios where the spin-independent parameter c_(0)and the spin-dependent parameter c_(2)vary,we use both analytical and numerical methods to investigate the three-coupled nonlinear Gross-Pitaevskii equations with PT-symmetric generalized Scarf-Ⅱpotentials.We obtain analytical soliton states and find that simply modulating c_(2)may change the analytical soliton states from unstable to stable.Additionally,we obtain numerically stable double-hump soliton states propagating in the form of periodic oscillations,exhibiting distinct behavior in energy exchange.For further investigation,we discuss the interaction of numerical double-hump solitons with Gaussian solitons and observe the transfer of energy among the three components.These findings may contribute to a deeper understanding of solitons in Bose-Einstein condensates with PT-symmetric potentials and may hold significance for both theoretical understanding and experimental design in related physics experiments.展开更多
Molecular dynamics(MD)is a powerful method widely used in materials science and solid-state physics.The accuracy of MD simulations depends on the quality of the interatomic potentials.In this work,a special class of e...Molecular dynamics(MD)is a powerful method widely used in materials science and solid-state physics.The accuracy of MD simulations depends on the quality of the interatomic potentials.In this work,a special class of exact solutions to the equations of motion of atoms in a body-centered cubic(bcc)lattice is analyzed.These solutions take the form of delocalized nonlinear vibrational modes(DNVMs)and can serve as an excellent test of the accuracy of the interatomic potentials used in MD modeling for bcc crystals.The accuracy of the potentials can be checked by comparing the frequency response of DNVMs calculated using this or that interatomic potential with that calculated using the more accurate ab initio approach.DNVMs can also be used to train new,more accurate machine learning potentials for bcc metals.To address the above issues,it is important to analyze the properties of DNVMs,which is the main goal of this work.Considering only the point symmetry groups of the bcc lattice,34 DNVMs are found.Since interatomic potentials are not used in finding DNVMs,they are exact solutions for any type of potential.Here,the simplest interatomic potentials with cubic anharmonicity are used to simplify the analysis and to obtain some analytical results.For example,the dispersion relations for small-amplitude phonon modes are derived,taking into account interactions between up to the fourth nearest neighbor.The frequency response of the DNVMs is calculated numerically,and for some DNVMs examples of analytical analysis are given.The energy stored by the interatomic bonds of different lengths is calculated,which is important for testing interatomic potentials.The pros and cons of using DNVMs to test and improve interatomic potentials for metals are discussed.Since DNVMs are the natural vibrational modes of bcc crystals,any reliable interatomic potential must reproduce their properties with reasonable accuracy.展开更多
We present a study of the ion stopping power due to free and bound electrons in a warm dense plasma.Our main goal is to propose a method of stopping-power calculation expected to be valid for any ionization degree.The...We present a study of the ion stopping power due to free and bound electrons in a warm dense plasma.Our main goal is to propose a method of stopping-power calculation expected to be valid for any ionization degree.The free-electron contribution is described by the Maynard–Deutsch–Zimmerman formula,and the bound-electron contribution relies on the Bethe formula with corrections,in particular taking into account density and shell effects.The results of the bound-state computation using three different parametric potentials are investigated within the Garbet formalism for the mean excitation energy.The first parametric potential is due to Green,Sellin,and Zachor,the second one was proposed by Yunta,and the third one was introduced by Klapisch in the framework of atomic-structure computations.The results are compared with those of self-consistent average-atom calculations.This approach correctly bridges the limits of neutral and fully ionized matter.展开更多
文摘All-solid-state batteries(ASSBs)represent a next-generation energy storage technology,offering enhanced safety,higher energy density,and improved cycling stability compared to conventional liquid-electrolyte-based lithium-ion batteries.Understanding and optimizing the complex chemistries and interfaces that underpin ASSB performance present significant challenges from both experimental and modeling perspectives.In particular,atomistic simulations face difficulties in capturing the complex structure,disorder,and dynamic evolution of materials and interfaces under practically relevant conditions.While established methods such as density functional theory and classical force fields have provided valuable insights,some questions remain difficult to address,particularly those involving large system sizes or long timescales.Recently,machine learning interatomic potentials(MLIPs)have emerged as a transformative tool,enabling atomistic simulations at length and time scales that were previously challenging to access with conventional approaches.By delivering near first-principles accuracy with much greater efficiency,MLIPs open new avenues for large-scale,long-timescale,and high-throughput simulations of solid-state battery materials.In this review,we present a comparative overview of density functional theory,classical force fields,and MLIPs,highlighting their respective strengths and limitations in ASSB research.We then discuss how MLIPs enable simulations that reach longer timescales,larger system sizes,and support high-throughput calculations,providing unique insights into ion transport and interfacial evolution in ASSBs.Finally,we conclude with a summary and outlook on current challenges and future opportunities for expanding MLIP capabilities and accelerating their impact in solid-state battery research.
基金the support by the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB0450101)the National Natural Science Foundation of China(Nos.22325304,22221003 and 22033007)。
文摘Recursively embedded atom neural network(REANN)is a general-purpose atomistic machine learning software package for representing potential energy and other physical properties.The original REANN 1.0 architecture is a physically inspired invariant message passing neural network,which was designed for systems with a limited number of elements.It is efficient but hardly transferable to more complex multi-element systems.In this work,we release REANN 2.0 aimed at multi-element systems and universal potentials,which integrates element embedding and equivariant representation.Compared to the first version,REANN 2.0 demonstrates enhanced ele-ment transferability and higher accuracy across various periodic systems with higher efficiency.Built upon this framework,a pre-trained REANN-MPtrj model without fine-tuning accurately predicts the lithium-ion diffusion dynamics in a benchmark solid-state electrolyte Li_(3)YCl_(6).We hope this open-source software package will facilitate the development of computationally efficient universal potentials in the future.
基金funded in part by the National Natural Science Foundations of China under Grants Nos.12150013,12075058 and 11975090the Science Foundation of Hebei Normal University with Grant No.L2023B09。
文摘We present a calculation by including the relativistic and off-shell contributions to the interaction potentials between two spin-1/2 fermions mediated by the exchange of light spin-0 particles,in both momentum and coordinate spaces.Our calculation is based on the four-point Green's function rather than the scattering amplitude.Among the sixteen potential components,eight that vanish in the non-relativistic limit are shown to acquire nonzero relativistic and off-shell corrections.In addition to providing relativistic and off-shell corrections to the operator basis commonly used in the literature,we introduce an alternative operator basis that facilitates the derivation of interaction potentials in the coordinate space.Furthermore,we calculate both the long-range and short-range components of the potentials,which can be useful for future experimental analyses at both macroscopic and atomic scales.
基金funded by the National Natural Science Foundation of China(82070877)the CAMS Innovation Fund for Medical Sciences(CIFMS)(2021-I2M-1-028,2021-I2M-1-005)the International Cooperation Project of Qinghai Province(2020-HZ-803)。
文摘The emergence of meal replacement(MR)originates from physical exercise or fitness as a substitute for one or all meals and later expands to the field of weight loss.Indeed,the main application of current meal replacement is to lose body weight,whether patients with obesity,diabetes,fatty liver,infertile or pregnant women can benefit from weight loss.In addition,MRs still exhibit more biomedical potential in preventing and treating diseases,like anti-diabetes,improving fatty liver and kidney disease,preventing cancer,conceiving and reducing pregnancy complications,and improving life quality.Indeed,there are also disadvantages to meal replacement,including causing adverse effects,although most are acceptable and tolerated.To date,various commercially-developed MRs are walking from dining table to sickbed.Therefore,a scientific understanding of the advantages and disadvantages of meal replacements is crucial for their extensive application beyond biomedical potentials.
基金supported by the National Natural Science Foundation of China(Nos.12265006,12375129,U1867212)the Innovation Project of Guangxi Graduate Education(No.YCSWYCSW2022176)the Guangxi Natural Science Foundation(2017GXNSFGA198001).
文摘Based on the Skyrme energy density functional and reaction Q-value,this study proposed an effective nucleus-nucleus poten-tial for describing the capture barrier in heavy-ion fusion processes.The 443 extracted barrier heights were well reproduced with a root-mean-square(RMS)error of 1.53 MeV,and the RMS deviations with respect to 144 time-dependent Hartree-Fock capture barrier heights were only 1.05 MeV.Coupled with the Siwek-Wilczyński formula,wherein three parameters were determined by the proposed effective potentials,the measured capture cross sections at energies around the barriers were reasonably well reproduced for several fusion reactions induced by nearly spherical nuclei as well as by nuclei with large deformations,such as^(154)Sm and^(238)U.The shallow capture pockets and small values of the average barrier radii resulted in the reduction of the capture cross sections for 52,54Cr-and 64 Ni-induced reactions,which were related to the synthesis of new super-heavy nuclei.
基金Supported by National Natural Science Foundation of China,No.82090034the Key Laboratory of Philosophy and Social Science of Anhui Province on Adolescent Mental Health and Crisis Intelligence Intervention,No.SYS2023B08the Anhui Natural Science Foundation,No.2023AH040086.
文摘BACKGROUND Exploring hypnotherapy's potential to modulate attention bias offers promising avenues for treating social anxiety disorder(SAD).AIM To determine if hypnotherapy can alleviate social anxiety by influencing attention bias,specifically identifying the aspects of attention processes affected by hypnosis.METHODS In this study,69 SAD participants were divided into three groups based on their Liebowitz Social Anxiety Scale scores:Experimental group,control group,and baseline group.The experimental group(n=23)underwent six weekly hypnosis sessions,while the control(n=23)and baseline groups(n=23)received no treatment.To evaluate alterations in SAD severity and attention bias towards threatening stimuli following hypnotherapy,we employed a combination of self-report questionnaires,an odd-one-out task,and electroencephalography recordings.RESULTS The experimental group showed significant reductions in P1,N170,N2pc,and late positive potential(LPP)brain wave activities during attention sensitivity and disengagement conditions.This indicates that hypnotherapy modulates early-stage face processing and later-stage emotional evaluation of threat-related stimuli in SAD patients.CONCLUSION Our findings highlight P1,N170,N2pc,and LPP as key neural markers in SAD treatment.By identifying these neural markers influenced by hypnotherapy,we offer insight into the mechanisms by which this treatment modality impacts attentional processes,potentially easing SAD symptoms.
基金the supporting from the National Key R&D Program of China(Grant No.2022YFA1403102)the National Natural Science Foundation of China(Grant Nos.12474478,92065102,and 12574094)。
文摘The exertion of a long-period potential on two-dimensional(2D)systems leads to band-structure downfolding and the formation of mini flat bands,thereby providing a route for band engineering and enabling the realization of new physical phenomena through the tuning of electron–electron interactions.In this work,the effect of the moiré superlattice formed between the substrate and the bottom quintuple layer(QL)of 3-and 4-QL three-dimensional(3D)topological insulator Sb_(2)Te_(3) thin films on the top surface states is investigated.The scanning tunneling spectra reveal that the bulk-like bands exhibit potential variations consistent with the moirépattern.In contrast,the surface states display only minimal potential variations,resulting in the absence of mini-band formation in the top surface states.These surface states remain nearly unaffected,as confirmed by Landau-level spectroscopy and simulations.The results suggest distinct roles of the bottom-surface moirépotential on the bulk states and the top surface states in the weak coupling regime between the two surfaces.
文摘This study aims to assess the potential of natural tourism in Kosovo,especially in the Dukagjin region as a case study.The main objective is to identify and analyze this region’s tourism potential to understand its impact and importance.180 respondents from the Dukagjin region participated in this study,and the quantitative method was used as a methodology.The measurement instrument consisted of 30 closed questions,which aimed to collect detailed information on the potential of natural tourism in this area.The study results showed that mountain,cultural,winter,healing,and rural tourism are especially important for developing the Dukagjin region.Furthermore,the analysis shows that 30%of the tourism potential is explained by rural tourism,underlining its importance in the local economy.Finally,the study’s findings are discussed,emphasizing their practical value for promoting and developing sustainable tourism in the region.
文摘Solving the Dirac equation has played an important role in many areas of fundamental physics.In this work,we present the Dirac equation solver DiracSVT,which solves the Dirac equation with scalar,vector,and tensor nuclear potentials in spherical coordinate space.The shooting method was used with a Runge–Kutta 4 integration scheme.The potentials are parameterized in a Woods–Saxon form,which reproduce well the known single-particle states around all doubly magic nuclei and can be applied to study the shell evolution of exotic nuclei.The code can be easily extended to the study of other systems,including atomic,hadron,and molecular physics.
基金supported by NSFC under Grant No.12272403Beijing Training Program of Innovation under Grant No.S202410019024。
文摘Introducing PT-symmetric generalized Scarf-Ⅱpotentials into the three-coupled nonlinear Gross-Pitaevskii equations offers a new way to seek stable soliton states in quasi-onedimensional spin-1 Bose-Einstein condensates.In scenarios where the spin-independent parameter c_(0)and the spin-dependent parameter c_(2)vary,we use both analytical and numerical methods to investigate the three-coupled nonlinear Gross-Pitaevskii equations with PT-symmetric generalized Scarf-Ⅱpotentials.We obtain analytical soliton states and find that simply modulating c_(2)may change the analytical soliton states from unstable to stable.Additionally,we obtain numerically stable double-hump soliton states propagating in the form of periodic oscillations,exhibiting distinct behavior in energy exchange.For further investigation,we discuss the interaction of numerical double-hump solitons with Gaussian solitons and observe the transfer of energy among the three components.These findings may contribute to a deeper understanding of solitons in Bose-Einstein condensates with PT-symmetric potentials and may hold significance for both theoretical understanding and experimental design in related physics experiments.
基金support of the RSF Grant No.24-11-00139(analytics,numerical results,manuscript writing)Daxing Xiong acknowledges the support of the NNSF Grant No.12275116,the NSF Grant No.2021J02051,and the startup fund Grant No.MJY21035For Aleksey A.Kudreyko,this work was supported by the Bashkir StateMedicalUniversity StrategicAcademic Leadership Program(PRIORITY-2030)(analytics).
文摘Molecular dynamics(MD)is a powerful method widely used in materials science and solid-state physics.The accuracy of MD simulations depends on the quality of the interatomic potentials.In this work,a special class of exact solutions to the equations of motion of atoms in a body-centered cubic(bcc)lattice is analyzed.These solutions take the form of delocalized nonlinear vibrational modes(DNVMs)and can serve as an excellent test of the accuracy of the interatomic potentials used in MD modeling for bcc crystals.The accuracy of the potentials can be checked by comparing the frequency response of DNVMs calculated using this or that interatomic potential with that calculated using the more accurate ab initio approach.DNVMs can also be used to train new,more accurate machine learning potentials for bcc metals.To address the above issues,it is important to analyze the properties of DNVMs,which is the main goal of this work.Considering only the point symmetry groups of the bcc lattice,34 DNVMs are found.Since interatomic potentials are not used in finding DNVMs,they are exact solutions for any type of potential.Here,the simplest interatomic potentials with cubic anharmonicity are used to simplify the analysis and to obtain some analytical results.For example,the dispersion relations for small-amplitude phonon modes are derived,taking into account interactions between up to the fourth nearest neighbor.The frequency response of the DNVMs is calculated numerically,and for some DNVMs examples of analytical analysis are given.The energy stored by the interatomic bonds of different lengths is calculated,which is important for testing interatomic potentials.The pros and cons of using DNVMs to test and improve interatomic potentials for metals are discussed.Since DNVMs are the natural vibrational modes of bcc crystals,any reliable interatomic potential must reproduce their properties with reasonable accuracy.
文摘We present a study of the ion stopping power due to free and bound electrons in a warm dense plasma.Our main goal is to propose a method of stopping-power calculation expected to be valid for any ionization degree.The free-electron contribution is described by the Maynard–Deutsch–Zimmerman formula,and the bound-electron contribution relies on the Bethe formula with corrections,in particular taking into account density and shell effects.The results of the bound-state computation using three different parametric potentials are investigated within the Garbet formalism for the mean excitation energy.The first parametric potential is due to Green,Sellin,and Zachor,the second one was proposed by Yunta,and the third one was introduced by Klapisch in the framework of atomic-structure computations.The results are compared with those of self-consistent average-atom calculations.This approach correctly bridges the limits of neutral and fully ionized matter.
