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Atomistic study on shape memory properties of Ni-Al alloys

机译：Ni-Al合金形状记忆性能的原子学研究

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The shape memory properties of Ni-Al alloy are investigated using molecular dynamics simulation. The phase transformation behaviors for various Ni composition ratios are studied under quasistatic cooling and heating process. Various loadings, i. e., uniaxial, shear, and biaxial, are applied on a 68% Ni-Al alloy till plasticity takes place. The atomic configurations are inspected and analyzed using a common neighbor parameter. The shape recovery capability of the plastically deformed alloy is examined after heating above the phase transformation temperature. It is found that there would be shape recovery if the twinning plane reorientation or moving was the major yielding mechanism. For those loadings in which stacking faults or dislocations nucleate, the deformed model would not restore to its original shape after heating and the corresponding maximum shear stress is noticeably higher. There is no direct dependence between the yield strain and the shape recovery capability. Our findings could provide a possible explanation for the functional fatigue of the polycrystalline shape memory alloy.
机译：利用分子动力学模拟研究了镍铝合金的形状记忆性能。在准静态的冷却和加热过程中研究了各种Ni组成比的相变行为。各种负载例如，在68％的Ni-Al合金上施加单轴，剪切和双轴，直到发生可塑性。使用公共邻居参数检查和分析原子构型。在加热到相变温度以上后，检查塑性变形合金的形状恢复能力。已经发现，如果孪晶面的重新定向或移动是主要的屈服机制，将会恢复形状。对于那些堆垛层错或位错成核的载荷，变形的模型在加热后将无法恢复到其原始形状，并且相应的最大剪切应力明显更高。屈服应变和形状恢复能力之间没有直接的依赖关系。我们的发现可以为多晶形状记忆合金的功能疲劳提供可能的解释。

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