کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1581902 | 1514865 | 2008 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Atomistic modeling of the segregation of lead impurities to a grain boundary in an aluminum bicrystalline solid
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Using Monte Carlo simulations, new insights into the atomic segregation of lead (Pb) impurities to a Σ5 〈1 0 0〉 {2 1 0} tilt aluminum (Al) grain boundary have been obtained. Interatomic interactions in the Al–Pb alloy system were described using a modified embedded atom method potential with parameters that fit to the results of density functional calculations. The simulations predict segregation of Pb impurities along the Al grain boundary prior to the formation of Pb clusters. Analyses of grain boundary energies for varying concentrations of Pb suggests that grain boundaries in Al can be thermodynamically stabilized by Pb impurities with respect to a dilute solid solution of Pb in Al.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Materials Science and Engineering: A - Volume 493, Issues 1–2, 15 October 2008, Pages 97–100
Journal: Materials Science and Engineering: A - Volume 493, Issues 1–2, 15 October 2008, Pages 97–100
نویسندگان
Y. Purohit, S. Jang, D.L. Irving, C.W. Padgett, R.O. Scattergood, D.W. Brenner,