A comparison of the ideal strength between L12Co3(Al,W) and Ni3Al under tension and shear from first-principles calculations

Yun-Jiang Wang; Chong-Yu Wang
June 2009
Applied Physics Letters;6/29/2009, Vol. 94 Issue 26, p261909
Academic Journal
The ideal strengths of L12Co3(Al,W) in comparison with Ni3Al are investigated using the first-principles method. Results for the stress-strain relationships, ideal tensile and shear strengths are presented. The calculated elastic properties agree well with the experimental observations. Co3(Al,W) is found to have larger moduli and higher strengths, but less ductile than Ni3Al. The electronic structures indicate the directional covalentlike Co–W bonding through d-d hybridization is the origin of excellent mechanical properties of Co3(Al,W).


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