کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1561463 1513946 2012 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Interlayer potentials for fcc (1 1 1) planes of Pd–Ag random alloys
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
Interlayer potentials for fcc (1 1 1) planes of Pd–Ag random alloys
چکیده انگلیسی

Using ab initio alloy theory in combination with the Chen-Möbius inversion method, we obtain the interaction potentials between layers of the face centered cubic (fcc) (1 1 1) plane family for elemental Pd and Ag metals and for Pd0.5Ag0.5 random alloy. Based on the interlayer potentials, we investigate properties related to the fcc (1 1 1) planes, such as the stacking fault energy, shear elastic constant, surface energy, surface relaxations, and phonon dispersion along the fcc [1 1 1] direction. The results agree well with those obtained by fully self-consistent ab initio calculations and also with the available experimental data, indicating that the properties related to the close-packed planes are well described by the interlayer potentials.


► We propose the interlayer potentials (the interactions between layers).
► Study the stacking fault energy (intrinsic, extrinsic, and twin).
► Study the interaction between the two intrinsic stacking faults.
► Investigate shear elastic constant, surface energy and relaxations.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 63, October 2012, Pages 20–27
نویسندگان
, , , ,