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由冲击波引起的结构相位过渡的显微镜图

Kai Kadau¹, Timothy C Germann, Peter S Lomdahl

¹Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA. kkadau@lanl.gov

Science (New York, N.Y.)

|June 1, 2002

概括

冲击波触发铁中的相变,形成新的晶粒. 由此产生的冲击波结构和颗粒动力学取决于冲击强度和方向.

科学领域:

材料科学材料科学材料科学
凝聚物质物理学凝聚物质物理学
计算材料科学科学计算材料科学

背景情况:

固体铁在极端条件下经历相变.
了解冲击诱导的转变对于动态负载下的材料至关重要.

研究的目的:

用大规模模拟来研究固体铁的冲击诱导相变.
在冲击压缩下分析新结晶相的核形成,生长和动态.

主要方法:

数百万个原子的分子动力学模拟.
在不同的晶体学方向上模拟冲击压缩.
分析由此产生的微观结构演变和冲击波结构.

主要成果:

确定了关键冲击强度,在此以上,以身体为中心的立方铁转化为紧密的结构.
小粒的核和生长发生在皮秒时间尺度上.
在较低的强度下观察到分裂的两波冲击结构,在更高的强度下观察到单个过度驱动的波.
颗粒的动态和方向取决于冲击强度和结晶学方向.

结论:

冲击压缩驱动铁中的相变,形成新的粒.
观察到的定向关系类似于温度驱动的马氏体转换.
模拟结果为在极端冲击条件下材料的动态行为提供了见解.

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