Multi-scale modelling of materials for fusion power plants

被引：4
|
作者：
Nguyen-Manh, D [1 ]
Dudarev, SL [1 ]
机构：
[1] UKAEA Euratom Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2006年 / 36卷 / 1-2期
基金：
英国工程与自然科学研究理事会;
关键词：
fusion materials; bcc transition metals; interstitial defects; multi-scale modelling; tight-binding scheme; interatomic potentials; Frenkel-Kontorova model;
D O I：
10.1016/j.commatsci.2005.03.021
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Body-centred cubic (bcc) transition metal-based alloys are prime candidate materials for structural components of future fusion power plants. The development of a reliable hierarchy of models describing materials under neutron irradiation is an issue of significant importance for the international fusion programme. In this paper, a multi-scale modelling approach is proposed for studying mechanical properties of these types of materials. A specific focus on establishing genetic methods for generating quantum mechanically-based potentials usable for defect modelling in bcc metals, alloys and magnetic materials is presented. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码：112 / 116
页数：5
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