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等变形压加载下单晶铝fcc-bcc相变的分子动力学模拟
  • ISSN号：0253-2395
  • 期刊名称：山西大学学报(自然科学版)
  • 时间：2012
  • 页码：675-679
  • 分类：O411[理学—理论物理;理学—物理]
  • 作者机构：[1]山西大学理论物理研究所,山西太原030006
  • 相关基金：国家基础科学人才培养基金（J1103210）
  • 相关项目：排斥相互作用多体系统中的粒子对关联和非线性量子隧穿动力学效应
作者： 郭钰|何凯|李莉|梁九卿|
关键词： 分子动力学, 金属铝, 等变形压加载, 结构相变, molecular dynamics simulations, single crystal Al, uniform strain loading, phase transition
中文摘要：

采用EAM势,利用分子动力学方法模拟了单晶铝在高速率等变形压加载条件下的fcc-bcc的结构相变.模拟结果表明,在等变形压加载条件下,单晶铝在加压至270GPa左右,体积缩小至0.55 V0时,由面心立方结构转变为体心立方结构.这一结果与第一原理计算的结果大致符合.

英文摘要：

By molecular dynamics simulations employing an embedded atom method potential,we simulate structural transformations in single crystal Al caused by high rate uniform strain loading.The simulations show that the phase transition takes place at about 270 GPa,corresponding to the reduced volume of 0.55V0,in reasonable agreement with the calculated value through density functional theory.

同期刊论文项目
排斥相互作用多体系统中的粒子对关联和非线性量子隧穿动力学效应
期刊论文 44 著作 1
山西大学物理学基地
期刊论文 137 会议论文 3
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期刊信息
  • 《山西大学学报：自然科学版》
  • 北大核心期刊（2011版）
  • 主管单位:山西省教育厅
  • 主办单位:山西大学
  • 主编：杨斌盛
  • 地址：太原市坞城路92号
  • 邮编：030006
  • 邮箱：xbbjb@sxu.edu.cn
  • 电话：0351-7010455
  • 国际标准刊号：ISSN：0253-2395
  • 国内统一刊号：ISSN：14-1105/N
  • 邮发代号:22-42
  • 获奖情况:
  • 边疆七年获山西省一级期刊荣誉（1993-1999）
  • 国内外数据库收录:
  • 俄罗斯文摘杂志,美国化学文摘（网络版）,英国动物学记录,中国中国科技核心期刊,中国北大核心期刊（2004版）,中国北大核心期刊（2008版）,中国北大核心期刊（2011版）,中国北大核心期刊（2014版）
  • 被引量:5651