کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9761577 | 1498420 | 2005 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Equilibrium and diffusion properties of two-level lattice systems: Quasi-chemical and diagrammatic approximation versus Monte Carlo simulation results
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
الکتروشیمی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The quasi-chemical and diagrammatic approximations are generalized for two-level lattice gas systems that are considered as models of intercalation compounds. The role of interparticle interactions is investigated. Monte Carlo simulation are used to demonstrate that the diagrammatic approximation represents well such equilibrium and structural lattice gas properties as the chemical potential isotherms, phase transition diagram, the thermodynamic factor (or chemical capacitance) and the probability for nearest neighbor sites to be occupied. Simpler quasi-chemical approximation can be used when semiquantitative results are of interest. Diffusion properties are investigated by means of Monte Carlo simulations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Ionics - Volume 176, Issues 19â22, June 2005, Pages 1675-1680
Journal: Solid State Ionics - Volume 176, Issues 19â22, June 2005, Pages 1675-1680
نویسندگان
Y.G. Groda, R.N. Lasovsky, V.S. Vikhrenko,