Searched for: subject:"Aluminum%5C%2Balloy"
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Zhang, X. (author)
Multiscale computational materials science has reached a stage where many complicated phenomena or properties that are of great importance to manufacturing can be predicted or explained. The word “ab initio study” becomes commonplace as the development of density functional theory has enabled the predictions to be independent of experimental...
doctoral thesis 2017
Zhang, X. (author), Sluiter, M.H.F. (author)
Cluster expansions have proven a very useful tool to model thermodynamics and kinetics of substitutional alloys in metallic, ionic, and even covalently bonded systems. Cluster expansions are usually obtained with the structure inversion method in which the energies, or other relevant property, of a set of structures are used to obtain expansion...
journal article 2015