Atomic scale modeling of the coherent strain field surrounding Ni4Ti3 precipitate and its effects on thermally-induced martensitic transformation in a NiTi alloy
Atomic scale modeling of the coherent strain field surrounding Ni4Ti3 precipitate and its effects on thermally-induced martensitic transformation in a NiTi alloy
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Ni4Ti3 沉淀物周围相干应变场的原子尺度建模及其对 NiTi 合金中热致马氏体相变的影响
DOI：
10.1016/j.actamat.2021.116883
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发表时间：
2021-06
期刊：
影响因子：
9.4
通讯作者：
Xuejun Jin
中科院分区：
文献类型：
--
作者：
Zhu Li;Fei Xiao;Hong Chen;Ruihang Hou;Xiaorong Cai;Xuejun Jin
NiTi合金中Ni_4Ti_3的析出对材料性能有着深刻的影响，而共格应变场及其对热致马氏体相变的影响尚不清楚，尤其是对B_（19）'变体和形貌。因此，采用分子动力学模拟、Eshelby解和相场微弹性理论研究了不同长径比的Ni4Ti3析出相引起的应变场.最大应变（沿着沉淀物的中心轴）在基体和它的相对位置被制定为函数关系。测定并分析了马氏体相变过程中的马氏体相变开始温度Ms和奥氏体相变结束温度Af。详细研究了两种已发表的自适应B19'结构，即三角形和“人字形”结构。三角形和“人字形”的形态之间的中间状态，称为混合自适应，被观察到的第一次，被证明是最不稳定的结构，提供了一个潜在的低滞后微致动器的设计路线。对这些自适应形貌的形成过程进行了分析和讨论。我们的模拟是第一次揭示了各种孪晶B19'的形态选择的沉淀和它们的影响，热诱发马氏体相变在原子尺度上。
Precipitation of Ni4Ti3in NiTi alloy profoundly affects material properties, while the coherency strain fields and their effects on the thermally-induced martensitic transformation are not known in detail, especially for the B19’ variants and morphologies. Therefore, molecular dynamics simulations, as well as an Eshelby solution and phase-field microelasticity theory were applied to investigate the strain fields caused by the Ni4Ti3precipitates with different aspect ratios. The maximum strain (along the central axis of the precipitate) in the matrix and its relative position are formulated as function relationships. Ms(martensitic transformation start temperature) and Af(austenitic transformation finish temperature) during martensitic transformation were determined and analyzed. Two previously published self-accommodation B19’ structures, the triangular and “herring-bone’’ morphologies are investigated in detail. An intermediate state between the triangular and “herring-bone’’ morphologies, termed mixed self-accommodation, is observed for the first time and proved to be the most unstable structure, providing a potential design route for low hysteresis microactuators. The formation processes of these self-accommodation morphologies are analyzed and discussed. Our simulations are the first time to reveal a variety of twinned B19’ morphologies selected by precipitates and their effects on thermally-induced martensitic transformation at the atomic scale.
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DOI：
10.1016/0001-6160(89)90072-2
发表时间：
1989-07-01
期刊：
ACTA METALLURGICA
影响因子：
--
作者：
MIYAZAKI, S;OTSUKA, K;WAYMAN, CM
通讯作者：
WAYMAN, CM
影响因子：
9.4
作者：
Guo, Wei;Steinbach, Ingo;Eggeler, Gunther
通讯作者：
Eggeler, Gunther
影响因子：
4.4
作者：
Meng, Chunfang;Heltsley, Will;Pollard, David D.
通讯作者：
Pollard, David D.
影响因子：
1.2
作者：
Piyas Chowdhury;G. Ren;H. Sehitoglu
通讯作者：
Piyas Chowdhury;G. Ren;H. Sehitoglu
影响因子：
9.4
作者：
Frenzel, J.;George, E. P.;Eggeler, G.
通讯作者：
Eggeler, G.