کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10349650 | 863692 | 2012 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Force correlations in molecular and stochastic dynamics
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Force correlations in molecular and stochastic dynamics Force correlations in molecular and stochastic dynamics](/preview/png/10349650.png)
چکیده انگلیسی
A molecular gas system in three dimensions is numerically studied by the energy conserving molecular dynamics (MD). The autocorrelation functions for the velocity and the force are computed and the friction coefficient is estimated. From the comparison with the stochastic dynamics (SD) of a Brownian particle, it is shown that the force correlation function in MD is different from the delta-function force correlation in SD in short time scale. However, as the measurement time scale is increased further, the ensemble equivalence between the microcanonical MD and the canonical SD is restored. We also discuss the practical implication of the result.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 183, Issue 8, August 2012, Pages 1574-1577
Journal: Computer Physics Communications - Volume 183, Issue 8, August 2012, Pages 1574-1577
نویسندگان
Su Do Yi, Beom Jun Kim,