Classification of the Critical Resolved Shear Stress in the HCP materials by atomic simulation: Application to alpha-zirconium and alpha- titanium - Archive ouverte HAL Access content directly
Journal Articles Journal of Applied Physics Year : 2011

Classification of the Critical Resolved Shear Stress in the HCP materials by atomic simulation: Application to alpha-zirconium and alpha- titanium

Abstract

The Embedded Atom Method (EAM) approach has been applied to the study of five principle gliding systems in zirconium and titanium materials. The stacking fault energy maps are obtained and compared to the results of ab initio calculations. A good agreement was observed between the two approaches. Furthermore, the Critical Resolved Shear Stresses (CRSS) have been determined by Molecular Dynamics (MD) simulations based on the EAM potentials. The CRSS in the "a" direction for the basal, prismatic (type 1) and pyramidal (type 2) planes are obtained and compared.
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Dates and versions

hal-03864515 , version 1 (21-11-2022)

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A. Poty, J.-M. Raulot, H. Xu, David Rodney, C. Schuman, et al.. Classification of the Critical Resolved Shear Stress in the HCP materials by atomic simulation: Application to alpha-zirconium and alpha- titanium. Journal of Applied Physics, 2011, 110 (1), pp.014905. ⟨10.1063/1.3599870⟩. ⟨hal-03864515⟩
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