Lattice softening in body-centered-cubic lithium-magnesium alloys

I. S. Winter, T. Tsuru, and D. C. Chrzan
Phys. Rev. Materials 1, 033606 – Published 11 August 2017

Abstract

A first-principles investigation of the influence of lattice softening on lithium-magnesium alloys near the body-centered-cubic (bcc)/hexagonal close-packed (hcp) transition composition is presented. Results show that lithium-magnesium alloys display a softening of the shear modulus C11C12, and an acoustic phonon branch between the Γ and N high symmetry points, as the composition approaches the stability limit for the bcc phase. This softening is accompanied by an increase in the size of the dislocation core region. Ideal tensile strength calculations predict that ordered phases of lithium-magnesium alloys are intrinsically brittle. Methods to make the alloys more ductile are discussed, and the propensity for these alloys to display gum-metal-like behavior is assessed.

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  • Received 31 May 2017

DOI:https://doi.org/10.1103/PhysRevMaterials.1.033606

©2017 American Physical Society

Physics Subject Headings (PhySH)

  1. Physical Systems
Condensed Matter, Materials & Applied Physics

Authors & Affiliations

I. S. Winter1,2,*, T. Tsuru3, and D. C. Chrzan1,4,†

  • 1Department of Materials Science and Engineering, University of California, Berkeley, California 94720, USA
  • 2Energy Technologies Area Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
  • 3Nuclear Science and Engineering Center, Japan Atomic Energy Agency, 2-4 Shirakata, Tokai-mura, Ibaraki, Japan
  • 4Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

  • *ian.winter@berkeley.edu
  • dcchrzan@berkeley.edu

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Issue

Vol. 1, Iss. 3 — August 2017

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