Abstract

To understand the effects of doping elements on the formation and structure of Сu-enriched precipitates, different stages of Fe–Cu–Ni–Al alloy decomposition are studied using the combined MC + MD approach, which includes the Monte Carlo (MC) and molecular dynamics (MD) simulations. It is shown that the surface of the precipitates enriches in the doping elements at early stages of the decomposition, which is significant for the structure stability against the bcc → 9R transition of the copper enriched precipitates.

中文翻译：

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Ni和Al对Fe-Cu-Ni-Al合金中富Cu沉淀的分解动力学和稳定性的影响：MD + MC模拟结果

摘要

为了了解掺杂元素对富含 Сu 的沉淀物的形成和结构的影响，使用 MC + MD 组合方法研究了 Fe-Cu-Ni-Al 合金分解的不同阶段，包括蒙特卡罗 (MC) 和分子动力学 (MD) 模拟。结果表明，在分解的早期阶段，沉淀物的表面富含掺杂元素，这对于富铜沉淀物的 bcc → 9 R转变的结构稳定性具有重要意义。