کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10645081 999835 2011 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Improved hydrocarbon potentials for sputtering studies
موضوعات مرتبط
مهندسی و علوم پایه مهندسی انرژی انرژی هسته ای و مهندسی
پیش نمایش صفحه اول مقاله
Improved hydrocarbon potentials for sputtering studies
چکیده انگلیسی
We refit the REBO hydrocarbon potentials by reparameterizing the bond lengths and energies of hydrocarbons with recent data, using systematic addition of the parameters of all hydrocarbons CxDy with x equal or less than four. In addition we also refit the short-distance potentials to reproduce a repulsive ZBL term. To test the improved potential, we performed large scale molecular dynamics calculations of amorphous deuterated carbon bombarded by deuterium, and compare our results with data obtained using the REBO potential as well as with recent experiments.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Nuclear Materials - Volume 415, Issue 1, Supplement, 1 August 2011, Pages S183-S186
نویسندگان
, , ,