We propose an atomistic description of polymorphic transformations in metal alloys, according to which an elementary act of transformation is reduced to the transfer of diagonals of a rhombus formed by two triangles. Metallic atoms are located in the corners of these triangles, and their common edge is transferred (i.e., turns into the long diagonal of rhombus). We estimated the energy barrier of polymorphic transformation (transfer of the diagonals) for various types of filling of the corners with iron, chromium, and manganese atoms in different combinations. The energy threshold is computed by using the Morse pair potential. The numerical parameters of the function approximating the potential are calibrated by the experimental values of the energy of sublimation and the temperature dependences of the elastic constants of iron, chromium, and manganese.

中文翻译：

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菱形中对角线的转移：多态变换的基本行为。金属相变能量阈值分析

我们提出了金属合金中多晶型转变的原子描述，根据该描述，转变的基本行为被简化为由两个三角形形成的菱形对角线的转移。金属原子位于这些三角形的角上，它们的公共边被转移（即变成菱形的长对角线）。我们估计了用不同组合的铁、铬和锰原子填充角的各种类型的多晶型转变（对角线的转移）的能垒。能量阈值是通过使用莫尔斯对势来计算的。近似势函数的数值参数通过升华能量的实验值和铁、铬、