Phys. Rev. B 79, 174109 (2009) [8 pages]

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

Abstract

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Hadrian Djohari¹, Frederick Milstein^2,*, and Dimitrios Maroudas^1,†
¹Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003-3110, USA
²Departments of Mechanical Engineering and Materials, University of California, Santa Barbara, California 93106, USA

Received 15 January 2009; published 14 May 2009

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.

URL:

http://link.aps.org/doi/10.1103/PhysRevB.79.174109

DOI:

10.1103/PhysRevB.79.174109

PACS:

61.50.Ks, 64.70.K−, 81.30.Hd, 81.30.Kf

^*Corresponding author. frdmlstn@engineering.ucsb.edu

^†Corresponding author. maroudas@ecs.umass.edu

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Phys. Rev. B 79, 174109 (2009) [8 pages]

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