Dynamics of the bcc→hcp transition in crystals under uniaxial stress

被引：15

作者：

Djohari, Hadrian ^{[3
]}

Milstein, Frederick ^{[1
,2
]}

Maroudas, Dimitrios ^{[3
]}

机构：

[1] Univ Calif Santa Barbara, Dept Mech Engn, Santa Barbara, CA 93106 USA

[2] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA

[3] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA

来源：

PHYSICAL REVIEW B | 2009年 / 79卷 / 17期

基金：

美国国家科学基金会;

关键词：

elasticity; iron; lattice constants; molecular dynamics method; solid-state phase transformations; SHEAR-MODULUS INSTABILITIES; MOLECULAR-DYNAMICS; PHASE-TRANSITIONS; ALKALI-METALS; AB-INITIO; PRESSURE; HCP; TRANSFORMATION; ZIRCONIUM; LATTICE;

D O I：

10.1103/PhysRevB.79.174109

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Molecular-dynamics simulations of a model alkali metal under < 100 > uniaxial load reveal a fundamental understanding of the atomistic kinematics and dynamics of the stress induced bcc -> hcp lattice structural transition. The transformation itself is "Burgers-type," with opposing shearing of alternate {110} planes; however, shearing occurs on the {110} planes of zero shear stress. The results, including the singular nature of the lattice-parameter variations at the inception of the transition, are analyzed and explained within the framework of crystal elastic stability theory.

引用

页数：8

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