The ideal tensile strength in the [0 0 1] direction of bcc crystal tungsten and its alloys (W-Re, W-Ta and W-V) has been investigated by using first-principles total energy method based on the density functional theory. Crystalline tungsten containing a single substitutional defect (concentration of defects about 2%) has been characterized in terms of structural and mechanical properties. The maximum tensile stress required to reach elastic instability under increasing load has been further computed.

The ideal tensile strength of tungsten and tungsten alloys by first-principles calculations

Celino, Massimo;Giusepponi, Simone
2013

Abstract

The ideal tensile strength in the [0 0 1] direction of bcc crystal tungsten and its alloys (W-Re, W-Ta and W-V) has been investigated by using first-principles total energy method based on the density functional theory. Crystalline tungsten containing a single substitutional defect (concentration of defects about 2%) has been characterized in terms of structural and mechanical properties. The maximum tensile stress required to reach elastic instability under increasing load has been further computed.
EFDA;Fusion;Molecular Dynamics;Mechanical properties;yield strangth;ab-initio
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.12079/3216
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