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

被引：16

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

共 31 条

[1] On the process of transition of the cubic-body-centered modification into the hexagonal-close-packed modification of zirconium [J].

Burgers, WG .

PHYSICA, 1934, 1 :561-586

[2] Analysis of elastic stability and structural response of face-centered cubic crystals subject to [110] loading [J].

Djohari, Hadrian ;

Milstein, Frederick ;

Maroudas, Dimitrios .

APPLIED PHYSICS LETTERS, 2006, 89 (18)

[3] Stability of simple cubic crystals [J].

Djohari, Hadrian ;

Milstein, Frederick ;

Maroudas, Dimitrios .

APPLIED PHYSICS LETTERS, 2007, 90 (16)

[4] DEFINITION OF A TRANSCENDENTAL ORDER PARAMETER FOR RECONSTRUCTIVE PHASE-TRANSITIONS [J].

DMITRIEV, VP ;

ROCHAL, SB ;

GUFAN, YM ;

TOLEDANO, P .

PHYSICAL REVIEW LETTERS, 1988, 60 (19) :1958-1961

[5] RECONSTRUCTIVE TRANSITIONS BETWEEN ORDERED PHASES - THE MARTENSITIC FCC-HCP AND THE GRAPHITE-DIAMOND TRANSITIONS [J].

DMITRIEV, VP ;

ROCHAL, SB ;

GUFAN, YM ;

TOLEDANO, P .

PHYSICAL REVIEW LETTERS, 1989, 62 (21) :2495-2498

[6] THEORY OF THE PHASE-DIAGRAM OF IRON AND THALLIUM - THE BURGERS AND BAIN DEFORMATION MECHANISMS REVISED [J].

DMITRIEV, VP ;

GUFAN, YM ;

TOLEDANO, P .

PHYSICAL REVIEW B, 1991, 44 (14) :7248-7254

[7] Ab initio study of the martensitic bcc-hcp transformation in iron [J].

Ekman, M ;

Sadigh, B ;

Einarsdotter, K ;

Blaha, P .

PHYSICAL REVIEW B, 1998, 58 (09) :5296-5304

[8]

FANG HE, 1989, THESIS U CALIFORNIA

[9] CONSTITUTIVE BRANCHING IN ELASTIC-MATERIALS [J].

HILL, R .

MATHEMATICAL PROCEEDINGS OF THE CAMBRIDGE PHILOSOPHICAL SOCIETY, 1982, 92 (JUL) :167-181

[10] PRINCIPLES OF STABILITY ANALYSIS OF IDEAL CRYSTALS [J].

HILL, R ;

MILSTEIN, F .

PHYSICAL REVIEW B, 1977, 15 (06) :3087-3096

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