کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9638265 505049 2005 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Simulation of multi-atomic interactions in H-O-W system with the MD code CADAC
موضوعات مرتبط
مهندسی و علوم پایه مهندسی انرژی مهندسی انرژی و فناوری های برق
پیش نمایش صفحه اول مقاله
Simulation of multi-atomic interactions in H-O-W system with the MD code CADAC
چکیده انگلیسی
To describe this H-O-W system, the molecular dynamics (MD) code CADAC was earlier developed using only pair-atomic interactions. Now CADAC is extended for multi-body forces to simulate molecular organization of atoms near the tungsten surface. The approach uses the Abell's model of empirical bond-order potentials in addition combined, for the first time, with a valence concept. CADAC simulates chemical features using atomic valences and the Morse potentials. The new model is introduced and model parameters are estimated.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fusion Engineering and Design - Volumes 75–79, November 2005, Pages 417-421
نویسندگان
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