The formation and stability of a nanosized propagating intermediate melt (IM) have been analyzed more than below the melting temperature between the solid-solid (SS) phase boundary during 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, ) 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.

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低于固-固 ( SS ) 相边界之间的熔化温度。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 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。