Efficiently annihilating vacancies near grain boundaries via competitive diffusion of interstitials

来源 :1st International Conference on Computational Design and Sim | 被引量 : 0次 | 上传用户:xiaohan52132500
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
  Grain boundaries (GBs) acting as defects sinks and defects annihilation catalysts determine the self-healing property of nano-crystal iron for radiation damage, which still remains poorly understood at different scales.By using combined techniques of molecular dynamics, molecular statics and object kinetic Monte Carlo, this self-repairing capacity is explored at atomistic and macroscopic time and length scales.
其他文献
This paper presents the implementation of a material model which captures the phenomena of hardening during unloading.This effect has been noticed by Shi-Hong Zhang et al.[1,2] for AISI 304 where form
Texture and microstructure evolution in a plane strain compressed fcc-fcc metal matrix composite (Cu-Ag) with a heterophase microstructure was studied using crystal plasticity finite element simulatio
Nanowires (NWs) are promising components for next-generation electronic and optical devices, and the vapor-liquid-solid (VLS) growth is a widely studied method for NW fabrication.However,many fundamen
The new green iron-making process by iron-bath smelting reduction with C and H2 reduction agents has received significant attention in recent years.The CFD software Fluent 6.3 is used to simulate the
The site preference of alloy elements on sublattice is of both fundamental and technical importance in computational materials science.For example, the site preference gives hints to establish the sub
The aggressive size downscaling of complementary metal-oxide-semiconductor (CMOS) transistors has led to the replacement of SiO2 by higher dielectric constant (k) oxides, such as HfO2.However, the ado
Promising results in hydrogen evolution reaction have been reported using 2H XS2 (S=Mo,W) nanoparticles with a high concentration of metallic edges, but the key challenges for XS2 are increasing the c
会议
By using the local-density approximation + dynamical mean field theory method, we show that the Coulomb anisotropy and the correlation-enhanced spin-orbit coupling play a crucial role in determining t
会议
Our early effort [1] in developing an integrated framework for multi-scale materials simulation and design focused on efficient information exchange between structure scales of multicomponent material
In this contribution we are going to present our modeling activities on tracking microstructure evolution during casting and subsequent homogenization heat treatment of industrial aluminum alloys.Thre
会议