Titlebook: Atomistic Simulation of Materials; Beyond Pair Potentia Vaclav Vitek,David J. Srolovitz Book 1989 Plenum Press, New York 1989 crystal.defec

青石板

BABY

Concentration Dependent Effective Cluster Interactions in Substitutional Alloys,In attempting to understand the thermodynamic properties of substitutional alloys, and specifically to construct alloy phase diagrams, it is natural to seek recourse in the vast body of knowledge acquired with respect to magnetic (spin) systems, in particular the 3D Ising model.

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https://doi.org/10.1007/978-1-4684-5703-2crystal; defects; energy; energy conversion; glass; iron; material; materials; materials properties; metals; s

可觸知

978-1-4684-5705-6Plenum Press, New York 1989

Wernickes-area

Theory of Defects in Solids and Their Interactions,er cost fabrication intensifies, to be able to design specific materials to achieve the needed design goals. It would be most desirable to be able to use the tools of theoretical materials science combined with advanced computational methodology to accomplish this task.

清真寺

咆哮

Simulation of Isovalent Impurities in Magnesium Oxide Using Hartree-Fock Clusters,lar, and solid-state systems and the results have been sufficiently satisfactory.. In the present study, three computational models are used to simulate the sulphur-doped magnesium oxide (MgO). The first model is the seven-ion cluster (S-6Mg): one sulphur ion at the center with six nearest magnesium

recession

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