Influence of free surface on melting and crystallization in nickel and copper: molecular dynamics simulation

被引：0

作者：

Poletaev, G. M. ^{[1
]}

Bebikhov, Y. V. ^{[2
]}

Semenov, A. S. ^{[2
]}

Rakitin, R. Y. ^{[3
]}

Novoselova, D. V. ^{[4
]}

机构：

[1] Polzunov Altai State Tech Univ, Barnaul, Russia

[2] North Eastern Fed Univ, Polytech Inst, Mirny, Russia

[3] Altai State Univ, Barnaul, Russia

[4] Fed Penitentiary Serv Russia, Kuzbass Inst, Novokuznetsk, Russia

来源：

MATERIALS PHYSICS AND MECHANICS | 2025年 / 53卷 / 01期

关键词：

molecular dynamics; melting; crystallization; surface; NI-AL; THERMAL-STABILITY; SIZE; TEMPERATURE; DIFFUSION; NANOPARTICLES; NANOCRYSTALS; DEPENDENCE;

D O I：

10.18149/MPM.5312025_4

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The influence of free surface on melting and crystallization processes in nickel and copper was studied using molecular dynamics simulation. It was shown that crystallographic orientation of the surface and, accordingly, the energy of atoms on the surface affect the melting onset temperature of the simulated metal cell. The melting onset temperatures from the surface are arranged in the following order of increase for the considered orientations: (110), (112), (100), (111). When studying the formation of crystalline nuclei during gradual cooling from the molten state, it was found that most of the nuclei are formed near the surface. The orientation of the crystal structure in the nuclei near the surface in most cases was such that the crystalline plane (111) was formed on the surface, which is the most energetically favorable.

引用

页码：48 / 56

页数：9

共 40 条

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