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Modeling the essential atomistic influence in the phase transformation dynamics of shape memory materials

机译:在形状记忆材料的相变动力学中模拟基本原子影响

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A Ginzburg-Landau free energy model of multivariant phase transformation in shape memory alloy has been developed. This paper is focused on linking the developed microscopic model with the atomistic reordering process which finally give rise to self-accommodating microstructure. It is analyzed how the kinetics influences the computation of stress-temperature induced dynamics of phase transformation in microscopic and larger length-scales without attempting to solve a molecular dynamic problem in a coupled manner. A variational approach is adopted and phase transformation in Ni-Al thin film is simulated. The simulations capture a qualitative picture of the onset of microstructure formation.
机译:建立了形状记忆合金多相变的Ginzburg-Landau自由能模型。本文的重点是将开发的微观模型与原子重排过程联系起来,这最终产生了可容纳的微观结构。分析了动力学如何在微观和更大的长度尺度上影响应力-温度诱导的相变动力学的计算,而没有试图以耦合的方式解决分子动力学问题。采用变分法,模拟了Ni-Al薄膜的相变。模拟捕获了微结构形成开始的定性图像。

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