کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1685949 | 1010583 | 2007 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Atomistic modeling of amorphous silicon carbide using a bond-order potential
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سطوح، پوششها و فیلمها
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چکیده انگلیسی
Molecular dynamics simulations were performed with a Brenner-type bond-order potential to study the melting of silicon carbide (SiC), the structure of amorphous SiC produced by quenching from the melt, and the evolution of the amorphous state after isochronal annealing at elevated temperatures. The simulations reveal that SiC melts above 3700 K with an enthalpy of fusion of about 0.6 eV/atom. The density of the quenched liquid is about 2820 kg/m3, in excellent agreement with the experimental value for SiC amorphized by neutron irradiation. In addition to the loss of long-range order, the quenched liquid shows short-range disorder as measured by the C homonuclear bond ratio. Upon annealing, there is partial recovery of short-range order.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 255, Issue 1, February 2007, Pages 130–135
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 255, Issue 1, February 2007, Pages 130–135
نویسندگان
R. Devanathan, F. Gao, W.J. Weber,