Atomic density function theory and modeling of microstructure evolution at the atomic scale
作者： Yongmei M. Jin , Armen G. Khachaturyan
DOI: 10.1063/1.2213353
关键词: Chemical physics 、 Density functional theory 、 Atomic units 、 Relaxation (physics) 、 Diffusionless transformation 、 Materials science 、 Metastability 、 Atom 、 Physical chemistry 、 Amorphous solid 、 Nanocrystal
摘要: … a theory to model these processes at the atomic scale based on the atomic density function (ADF) approach that formulates the nonequilibrium free energy of a system as a functional …
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