Due to a radioactive decay Pu is vulnerable to aging.The behavior of He in Pu is the foundation for understanding Pu self-radiation damage aging.Molecular dynamics technique is performed to investigate the behavior of...Due to a radioactive decay Pu is vulnerable to aging.The behavior of He in Pu is the foundation for understanding Pu self-radiation damage aging.Molecular dynamics technique is performed to investigate the behavior of defects,the interaction between He and defects,the processes of initial nucleation and growth of He bubble and the dependence of He bubble on the macroscopical properties of Pu.Modified embedded atom method,Morse pair potential and the Lennard-Jones pair potential are used for describing the interactions of Pu-Pu,Pu-He and He-He,respectively.The main calculated results show that He atoms can combine with vacancies to form Hevacancy cluster(i.e.,the precursor of He bubble)during the process of self-radiation as a result of high binding energy of an interstitial He atom to vacancy;He bubble’s growth can be dominated by the mechanism of punching out of dislocation loop;the swelling induced by He bubble is very small;grain boundaries give rise to an energetically more favorable zone for the interstitial He atom and self-interstitial atom accumulation than for vacancy accumulation;the process of He release can be identified as the formation of release channel induced by the cracking of He bubble and surface structure.展开更多
The development of reliable fusion energy is one of the most important challenges in this century.The accelerated degradation of structural materials in fusion reactors caused by neutron irradiation would cause severe...The development of reliable fusion energy is one of the most important challenges in this century.The accelerated degradation of structural materials in fusion reactors caused by neutron irradiation would cause severe problems.Due to the lack of suitable fusion neutron testing facilities,we have to rely on ion irradiation experiments to test candidate materials in fusion reactors.Moreover,fusion neutron irradiation effects are accompanied by the simultaneous transmutation production of helium and hydrogen.One important method to study the He-H synergistic effects in materials is multiple simultaneous ion beams(MSIB)irradiation that has been studied for decades.To date,there is no convincing conclusion on these He-H synergistic effects among these experiments.Recently,a multiple ion beam in-situ transmission electron microscopy(TEM)analysis facility was developed in Xiamen University(XIAMEN facility),which is the first triple beam system and the only in-running in-situ irradiation facility with TEM in China.In this work,we conducted the first high-temperature triple simultaneous ion beams irradiation experiment with TEM observation using the XIAMEN facility.The responses to in-situ triple-ion beams irradiation in austenitic steel 304L SS and ferritic/martensitic steel CLF-1 were studied and compared with the results in dual-and single-ion beam(s)irradiated steels.Synergistic effects were observed in MSIB irradiated steels.Helium was found to be critical for cavity formation,while hydrogen has strong synergistic effect on increasing swelling.展开更多
The interactions of He with dissociated screw dislocations in face-centered-cubic （fcc） Ni are investigated by using molecular dynamics simulations based on an embedded-atom method model. The binding and formation e...The interactions of He with dissociated screw dislocations in face-centered-cubic （fcc） Ni are investigated by using molecular dynamics simulations based on an embedded-atom method model. The binding and formation energies of interstitial He in and near Shockley partial cores are calculated. The results show that interstitial He atoms at tetrahedral sites in the perfect fee lattice and atoms occupying sites one plane above or below one of the two Shockley partial cores exhibit the strongest binding energy. The attractive or repulsive nature of the interaction between interstitial He and the screw dislocation depends on the relative position of He to these strong binding sites. In addition, the effect of He on the dissociation of screw dislocations are investigated. It is found that Fie atoms homogeneously distributed in the glide plane can reduce the stacking fault width.展开更多
We calculate the energy levels of He+ ion placed in a uniform magnetic field directed perpendicular to the direction of its center of mass (CM) velocity vector, correct to relative order . Our calculations are within ...We calculate the energy levels of He+ ion placed in a uniform magnetic field directed perpendicular to the direction of its center of mass (CM) velocity vector, correct to relative order . Our calculations are within the frame work of an approximately relativistic theory, correct to relative order , of a two-particle composite system bound by electromagnetic forces, and written in terms of the position, momentum and spin operators of the constituent particles as proposed by Krajcik and Foldy, and also by Close and Osborn. Since the He+ ion has a net electric charge, the total or the CM momentum is not conserved and a neat separation of the CM and the internal motion is not possible. What is new in our approach is that, for the basis states in a first order degenerate perturbation theory to calculate the effects of the external magnetic field, we use the direct product of the coherent state of the Landau Hamiltonian of the He+ ion in a uniform magnetic field and of the simultaneous eigenstate of the internal Hamiltonian h, j2, l2, s2 and jz,?where j, l and s are the internal total, orbital and spin angular moments of the He+ ion. The coherent state is an excellent approximation to the expected classical circular motion of the center of mass (CM) of the He+ ion. In addition to the Z2 a2 corrections to the usual nonrelativistic results, including the small corrections due to the nuclear motion, we also obtain corrections which depend on the kinetic energy (ECM ) of the CM circular motion of the He+ ion, in a nontrivial way. Even though these corrections are proportional to , where M is the mass of the He+ ion, and are small for nonrelativistic CM motion, the results should be verifiable in careful experiments. Our results may also have application in astrophysical observations of the spectral lines of He+ ions in magnetized astrophysical objects.展开更多
钚因放射性衰变而出现自辐照老化效应。钚中氦行为是理解钚自辐照老化效应的一个基础和前提。运用分子动力学模拟技术,计算研究了钚中缺陷行为、氦与缺陷的相互作用、氦泡的初始形核过程、氦泡的长大过程以及氦泡对钚材料宏观性能的影...钚因放射性衰变而出现自辐照老化效应。钚中氦行为是理解钚自辐照老化效应的一个基础和前提。运用分子动力学模拟技术,计算研究了钚中缺陷行为、氦与缺陷的相互作用、氦泡的初始形核过程、氦泡的长大过程以及氦泡对钚材料宏观性能的影响等。其中,钚-钚、钚-氦和氦-氦相互作用势分别采用修正嵌入原子多体势(modified embedded atom method,MEAM)、Morse对势和Lennard-Jones对势。主要的计算结果表明,氦原子与空位的结合能较大,在钚的自辐照过程中,两者易于结合并形成氦-空位团簇,成为氦泡的前驱体;氦泡可通过冲出位错环的机制而长大;氦泡的压力在GPa量级,且氦泡引起的基体膨胀很小。展开更多
Shearing stresses and velocity distributions of quantum fluid helium at different temperatures flowing in the nano-channel were obtained by molecular dynamics simulation.The kinematic viscosities of quantum fluid heli...Shearing stresses and velocity distributions of quantum fluid helium at different temperatures flowing in the nano-channel were obtained by molecular dynamics simulation.The kinematic viscosities of quantum fluid helium in different temperature and density ranges could be calculated by the expression describing the relationship between shearing stress and velocity distribution.LJ model and QFH potential function were used to perform the MD simulation for two molecular systems with different sizes.The results showed that the simulation process with the quantum effect considered needed much time to obtain steady state.展开更多
基金This work was supported by the National Natural Science Foundation of China(Grant No.20801007).
文摘Due to a radioactive decay Pu is vulnerable to aging.The behavior of He in Pu is the foundation for understanding Pu self-radiation damage aging.Molecular dynamics technique is performed to investigate the behavior of defects,the interaction between He and defects,the processes of initial nucleation and growth of He bubble and the dependence of He bubble on the macroscopical properties of Pu.Modified embedded atom method,Morse pair potential and the Lennard-Jones pair potential are used for describing the interactions of Pu-Pu,Pu-He and He-He,respectively.The main calculated results show that He atoms can combine with vacancies to form Hevacancy cluster(i.e.,the precursor of He bubble)during the process of self-radiation as a result of high binding energy of an interstitial He atom to vacancy;He bubble’s growth can be dominated by the mechanism of punching out of dislocation loop;the swelling induced by He bubble is very small;grain boundaries give rise to an energetically more favorable zone for the interstitial He atom and self-interstitial atom accumulation than for vacancy accumulation;the process of He release can be identified as the formation of release channel induced by the cracking of He bubble and surface structure.
基金Project supported by the National Natural Science Foundation of China(Grant No.11935004).
文摘The development of reliable fusion energy is one of the most important challenges in this century.The accelerated degradation of structural materials in fusion reactors caused by neutron irradiation would cause severe problems.Due to the lack of suitable fusion neutron testing facilities,we have to rely on ion irradiation experiments to test candidate materials in fusion reactors.Moreover,fusion neutron irradiation effects are accompanied by the simultaneous transmutation production of helium and hydrogen.One important method to study the He-H synergistic effects in materials is multiple simultaneous ion beams(MSIB)irradiation that has been studied for decades.To date,there is no convincing conclusion on these He-H synergistic effects among these experiments.Recently,a multiple ion beam in-situ transmission electron microscopy(TEM)analysis facility was developed in Xiamen University(XIAMEN facility),which is the first triple beam system and the only in-running in-situ irradiation facility with TEM in China.In this work,we conducted the first high-temperature triple simultaneous ion beams irradiation experiment with TEM observation using the XIAMEN facility.The responses to in-situ triple-ion beams irradiation in austenitic steel 304L SS and ferritic/martensitic steel CLF-1 were studied and compared with the results in dual-and single-ion beam(s)irradiated steels.Synergistic effects were observed in MSIB irradiated steels.Helium was found to be critical for cavity formation,while hydrogen has strong synergistic effect on increasing swelling.
基金Supported by the Program of International S&T Cooperation under Grant No 2014DFG60230the Strategically Leading Program of the Chinese Academy of Sciences under Grant No XDA02040100+1 种基金the Shanghai Municipal Science and Technology Commission under Grant No 13ZR1448000the National Natural Science Foundation of China under Grant No 11505266
文摘The interactions of He with dissociated screw dislocations in face-centered-cubic （fcc） Ni are investigated by using molecular dynamics simulations based on an embedded-atom method model. The binding and formation energies of interstitial He in and near Shockley partial cores are calculated. The results show that interstitial He atoms at tetrahedral sites in the perfect fee lattice and atoms occupying sites one plane above or below one of the two Shockley partial cores exhibit the strongest binding energy. The attractive or repulsive nature of the interaction between interstitial He and the screw dislocation depends on the relative position of He to these strong binding sites. In addition, the effect of He on the dissociation of screw dislocations are investigated. It is found that Fie atoms homogeneously distributed in the glide plane can reduce the stacking fault width.
文摘We calculate the energy levels of He+ ion placed in a uniform magnetic field directed perpendicular to the direction of its center of mass (CM) velocity vector, correct to relative order . Our calculations are within the frame work of an approximately relativistic theory, correct to relative order , of a two-particle composite system bound by electromagnetic forces, and written in terms of the position, momentum and spin operators of the constituent particles as proposed by Krajcik and Foldy, and also by Close and Osborn. Since the He+ ion has a net electric charge, the total or the CM momentum is not conserved and a neat separation of the CM and the internal motion is not possible. What is new in our approach is that, for the basis states in a first order degenerate perturbation theory to calculate the effects of the external magnetic field, we use the direct product of the coherent state of the Landau Hamiltonian of the He+ ion in a uniform magnetic field and of the simultaneous eigenstate of the internal Hamiltonian h, j2, l2, s2 and jz,?where j, l and s are the internal total, orbital and spin angular moments of the He+ ion. The coherent state is an excellent approximation to the expected classical circular motion of the center of mass (CM) of the He+ ion. In addition to the Z2 a2 corrections to the usual nonrelativistic results, including the small corrections due to the nuclear motion, we also obtain corrections which depend on the kinetic energy (ECM ) of the CM circular motion of the He+ ion, in a nontrivial way. Even though these corrections are proportional to , where M is the mass of the He+ ion, and are small for nonrelativistic CM motion, the results should be verifiable in careful experiments. Our results may also have application in astrophysical observations of the spectral lines of He+ ions in magnetized astrophysical objects.
文摘钚因放射性衰变而出现自辐照老化效应。钚中氦行为是理解钚自辐照老化效应的一个基础和前提。运用分子动力学模拟技术,计算研究了钚中缺陷行为、氦与缺陷的相互作用、氦泡的初始形核过程、氦泡的长大过程以及氦泡对钚材料宏观性能的影响等。其中,钚-钚、钚-氦和氦-氦相互作用势分别采用修正嵌入原子多体势(modified embedded atom method,MEAM)、Morse对势和Lennard-Jones对势。主要的计算结果表明,氦原子与空位的结合能较大,在钚的自辐照过程中,两者易于结合并形成氦-空位团簇,成为氦泡的前驱体;氦泡可通过冲出位错环的机制而长大;氦泡的压力在GPa量级,且氦泡引起的基体膨胀很小。
文摘Shearing stresses and velocity distributions of quantum fluid helium at different temperatures flowing in the nano-channel were obtained by molecular dynamics simulation.The kinematic viscosities of quantum fluid helium in different temperature and density ranges could be calculated by the expression describing the relationship between shearing stress and velocity distribution.LJ model and QFH potential function were used to perform the MD simulation for two molecular systems with different sizes.The results showed that the simulation process with the quantum effect considered needed much time to obtain steady state.
