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Ab initio simulation of a tensile test in MoSi2 and WSi2
Published online by Cambridge University Press: 21 March 2011
Abstract
The tensile test in transition metal disilicides with C113 structure is simulated by ab initio electronic structure calculations using full potential linearized augmented plane wave method (FLAPW). Full relaxation of both external and internal parameters is performed. The theoretical tensile strength of MOS12 and WSi2 for [001] loading is determined and compared with those of other materials.
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- Research Article
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- Copyright © Materials Research Society 2001
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