M. Katagiri, H. Onodera1, H. Ogawa2, N. Nishikawa3
The International Conference on Computational & Experimental Engineering and Sciences, Vol.6, No.1, pp. 72-80, 2008, DOI:10.3970/icces.2008.006.072
Abstract The microscopic mechanism of Hydrogen-Induced Amorphization (HIA) in C15 Laves phases of AB$_2$ compounds is studied. Experimentally, compounds in which the AA internuclear distance is reduced and BB internuclear distance expanded compared to pure crystals show Hydrogen-Induced Amorphization which suggests that the relative atomic size is the controlling factor. We investigate the role of the size effect by static and Molecular Dynamics methods using Lennard-Jones potentials. Our simulations show that in such a compound, the bulk modulus is remarkably reduced by hydrogenation compared to the isotropic tensile load, so that elastic instability is facilitated. This More >
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