Browsing Chemistry Faculty Research, Publications and Presentations by Author "Todorova, Tsanka"
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Temperature dependent lattice misfit and coherency of Al3X (X = Sc, Zr, Ti and Nb) particles in an Al matrix
Saumitra Saha, T.Z. Todorova, J.W. Zwanziger, Temperature dependent lattice misfit and coherency of Al3X (X = Sc, Zr, Ti and Nb) particles in an Al matrix, Acta Materialia, Volume 89, 1 May 2015, Pages 109-115, ISSN 1359-6454, http://dx.doi.org/10.1016/j.actamat.2015.02.004The lattice coherency and critical radii for Al3X precipitates in an aluminum matrix were computed using first-principles methods. From density functional perturbation theory and the quasi-harmonic approximation, the unit ...