Molecular Dynamics Study of the Deformation Processes of Metallic Materials in Structural and Phase (Martensitic) Transformations

被引：5

作者：

Baimova, Yu. A. ^{[1
]}

Dmitriev, S. V. ^{[2
,3
]}

Kuranova, N. N. ^{[1
]}

Mulyukov, R. R. ^{[2
]}

Pushin, A. V. ^{[1
]}

Pushin, V. G. ^{[1
,4
]}

机构：

[1] Russian Acad Sci, Mikheev Inst Met Phys, Ural Branch, Ekaterinburg 620108, Russia

[2] Russian Acad Sci, Inst Met Superplast Problems, Ufa 450001, Russia

[3] Natl Res Tomsk State Univ, Tomsk 634050, Russia

[4] Ural Fed Univ, Ekaterinburg 620002, Russia

来源：

PHYSICS OF METALS AND METALLOGRAPHY | 2018年 / 119卷 / 06期

基金：

俄罗斯基础研究基金会; 俄罗斯科学基金会;

关键词：

molecular dynamics; simulation; mechanisms of plastic deformation; martensitic transformation; SHAPE-MEMORY; COMPUTER-SIMULATION; PLASTIC-DEFORMATION; 2-DIMENSIONAL CRYSTAL; 2D MODEL; BOUNDARY; ALLOYS; NITI; DISLOCATIONS; ULTRASOUND;

D O I：

10.1134/S0031918X18060042

中图分类号：

TF [冶金工业];

学科分类号：

0806 ;

摘要：

The application of the method of molecular dynamics based on the use of pair interatomic potentials has been discussed to study various deformation processes during structural and phase (martensitic) transformations in metallic single and polycrystals. It has been shown that the method of molecular dynamics in a two-dimensional model makes it possible to qualitatively analyze the processes of grain-boundary sliding and other mechanisms of plastic deformation in polycrystals. It is also an efficient tool for describing diffusionless martensitic transformations in metallic materials. As an example, the use of the method for simulating grain-boundary sliding in a polycrystal with nonequilibrium grain boundaries is presented and the mechanisms of overcoming an obstruction in the form of a protruding segment of a grain have been demonstrated at the atomic level. The application of this method for describing the dynamics and morphology of the thermoelastic martensitic transformation has been illustrated by the example of the titanium nickelide and manganese alloys.

引用

页码：589 / 597

页数：9

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