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.
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收藏
页数：8
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