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Formation and stability of nanosized, undercooled propagating intermediate melt during β→δ phase transformation in HMX nanocrystal
EPL ( IF 1.8 ) Pub Date : 2021-05-11 , DOI: 10.1209/0295-5075/133/56001
Arunabha M. Roy

The formation and stability of a nanosized propagating intermediate melt (IM) have been analyzed more than $150\ \text{K}$ below the melting temperature between the solid-solid (SS) phase boundary during $\beta \rightarrow \delta$ phase transformation (PT) in a HMX nanocrystal. The influence of the solid-melt barrier K 12 and two important nanoscale material parameters (ratios of SS and solid-melt SM interface energies, k E and width, $k_{\delta}$ ) on the barrierless nucleation and appearance of non-equilibrium IM has been studied. Numerical results reveal that the solution of IM can either be continuous reversible or jump-like first-order discontinuous transformation with hysteresis. Additionally, various parametric studies on the structure, energy, width, and mobility of IM have been explored to understand the mystifying PT behaviors of HMX.



中文翻译:

在 HMX 纳米晶体中βδ相变过程中纳米级过冷传播中间熔体的形成和稳定性

在 HMX 纳米晶体中的相变 (PT)期间,纳米尺寸的传播中间熔体 ( IM )的形成和稳定性已被分析超过$150\ \text{K}$ 低于固-固 ( SS ) 相边界之间的熔化温度$\beta \rightarrow \delta$ 。已经研究了固熔势垒K 12和两个重要的纳米级材料参数(SS和固熔SM界面能的比率,k E和宽度)对非平衡IM的无障碍成核和外观的影响。数值结果表明IM的解 $k_{\delta}$ 可以是连续可逆的,也可以是具有滞后的跳跃式一阶不连续变换。此外,还对IM的结构、能量、宽度和迁移率进行了各种参数研究,以了解 HMX 的神秘 PT 行为。

更新日期:2021-05-11
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