کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1814904 | 1025657 | 2007 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
MAEAM simulation of phonons for BCC transition metals
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Combining MAEAM with the lattice dynamics, the atomic force constants and phonon dispersion curves have been obtained along five symmetry directions [0 0 ζ], [0 ζ ζ], [ζ ζ ζ], [1212ζ] and [ζ ζ 1] for three BCC transition metals Ta, W and Mo within interactions out to the sixth neighbors. The calculated results that are nearly in agreement with available experimental results along [0 0 ζ], [0 ζ ζ] and [ζ ζ ζ] directions implies that the predicted phonon dispersion curves along [1212ζ] and [ζ ζ 1] directions are well behaved. Along each symmetry direction, the vibration frequency that increases for Ta, W and Mo successively may be related to the ratio of cohesive energy Ec to mass M.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 391, Issue 2, 1 April 2007, Pages 286-291
Journal: Physica B: Condensed Matter - Volume 391, Issue 2, 1 April 2007, Pages 286-291
نویسندگان
Xiao-Jun Zhang, Jian-Min Zhang, Ke-Wei Xu,