Universal Trend in the dynamic relaxations of tilted metastable grain boundaries during ultrafast thermal cycle
Universal Trend in the dynamic relaxations of tilted metastable grain boundaries during ultrafast thermal cycle
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DOI：
10.1080/21663831.2022.2050957
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发表时间：
2022-03
影响因子：
8.3
通讯作者：
Zhitong Bai;A. Misra;Yue Fan
中科院分区：
文献类型：
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作者：
Zhitong Bai;A. Misra;Yue Fan
利用原子模型研究了在超快热驱动力作用下多重倾斜晶界中的非平衡弛豫。通过仔细研究中间亚稳态微观态及其潜在能量景观中可评估的激活势垒，我们证明了倾斜亚稳态gb中的能量学和原子扩散是无序驱动的，而不是自由体积驱动的。确定了临界转变温度，将非平衡态GBs的演化分别划分为快速变化阶段和调谐无效阶段。我们进一步发现了临界温度与gb固有结构能之间的普遍相关性，从而可以预测亚稳态gb的动力学和力学性能的可调性。我们报道了在极端热处理过程中倾斜gb的亚稳态微观状态与动力学性质之间的普遍相关性，提出了一种在不改变其宏观织构的情况下操纵富界面材料性能的新策略。
Nonequilibrium relaxations in a multiplicity of tilted grain boundaries (GBs) subjected to ultrafast thermal driving forces are investigated by atomistic modeling. By scrutinizing the intermediate metastable microstates and their assessable activation barriers in the underlying energy landscape, we demonstrate the energetics and atomic diffusions in tilted metastable GBs are disorder-driven rather than free volume-driven. A critical transition temperature is identified, separating the nonequilibrium GBs’ evolution into a fast-varying stage, and a tuning-ineffective stage, respectively. We further discover a universal correlation between such critical temperature and GBs’ inherent structure energy, which enables predicting the tunability of metastable GBs’ kinetic and mechanical properties. GRAPHICAL ABSTRACT IMPACT STATEMENT We report a universal correlation between tilted GBs’ metastable microstates and kinetic properties during extreme thermal processing, suggesting a new strategy of manipulating interface-rich materials’ performance without changing their macroscopic textures.