Microhardness measurement in nonmetallic materials
نویسندگان
چکیده
منابع مشابه
A generalization of the charge equilibration method for nonmetallic materials.
Assigning effective atomic charges that properly reproduce the electrostatic fields of molecules is a crucial step in the construction of accurate interatomic potentials. We propose a new approach to calculate these charges, which as previous approaches are, is based on the idea of charge equilibration. However, we only allow charge to flow between covalently bonded neighbors by using the conce...
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ژورنال
عنوان ژورنال: Bulletin of Materials Science
سال: 1987
ISSN: 0250-4707,0973-7669
DOI: 10.1007/bf02743978