Development of accelerated molecular dynamics method for simulation of nuclear materials

来源 :第13届中日双边先进能源系统和聚变裂变工程材料会议(CIS-13) | 被引量 : 0次 | 上传用户:caisilver
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
  Development of the new algorithm to accelerate molecular dynamics method for studying of nuclear materials is important and necessary for nuclear material society,especially by including the diffusion and interaction processes at the atomic scale.A selfadaptive accelerated molecular dynamics(SAAMD)method has been developed in the present work to model the infrequent atomic-scale events,which is especially suited for treating events that occur on a rugged free-energy surface and with huge different time scales.Key in the new development is the use of the total displacement of the system at a given temperature to construct a boost-potential,which is then used to combine with original potential to increase to accelerate the dynamics.
其他文献
Material property degradation of Tungsten(W)by neutron irradiation is one of key issues for plasma facing components in fusion power reactor.Displacement damage will cause irradiation hardening and em
Fuel cladding chemical interaction(FCCI)has long been acknowledged as a problem in the fuel/cladding system,and is likely to be exacerbated at high fuel burn-ups and during the use of metallic fuels b
The material is one of the most important issues in nuclear fission and fusion energy technology,and we have made some attempts at catalyst for WDS/TEP,tritium breeder for TBM,palladium alloy membrane
The conceptual design activity of the LHD-type helical reactor FFHR-d1 is being intensively conducted under the Fusion Engineering Research Project FERP at NIFS.The present activity incorporates the m
This report covers the worlds nuclear fuel cycle and MOX fuel policy,strategies and practices,explore the history and current situation of the nuclear fuel cycle,and analyze the challenges and opportu
This paper outlines the DEMO design and related R&D activities in SWIP.The basic definition and development strategy of the DEMO plant based on the Chinese fusion energy development program are presen
Helium(He)is a typical impurity in metals,which is produced from(n,α)transmutation reactions in both fission and fusion.It is well known that He atoms are energetically favorable clustering with each
Reduced activation ferritic/martensitic steels are considered as one of the most suitable materials in the application of international thermonuclear experimental reactor.One of the important requirem
The radiation damages had been performed for Chinese Spallation Neutron Source(CSNS)target components that relies on Monte Carlo simulation code MCNPX2.5.0.During the calculation,Bertini intra-nuclear
The behavior of irradiation to hydrogen bubbles in materials would be an interesting question not only for fusion reactor materials,but also for common condensed matter physics.For example,sonolumines