کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
973869 1480150 2015 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Comment on analysis of transport properties determined by Langevin dynamics using Green–Kubo formulae
موضوعات مرتبط
مهندسی و علوم پایه ریاضیات فیزیک ریاضی
پیش نمایش صفحه اول مقاله
Comment on analysis of transport properties determined by Langevin dynamics using Green–Kubo formulae
چکیده انگلیسی


• Molecular dynamics simulations based on Langevin models are considered.
• A correction is presented for the Green–Kubo Prandtl number derived by Zhang et al.
• The relationship between Green–Kubo and Boltzmann equation Prandtl numbers is analytically explained.

The development of Langevin models for molecular dynamics represents a promising approach to deal with the cost issue of Boltzmann equation solutions. A recent paper of Zhang et al. suggested to study the Prandtl number variability of such molecular Langevin models under equilibrium conditions. This paper comments on several questions related to the approach of Zhang et al. First, a correction is presented for the Green–Kubo minimum Prandtl number derived by Zhang et al. Second, the relationship between the Green–Kubo Prandtl number and a Prandtl number defined in the Boltzmann equation sense is analytically explained. Third, based on this relationship it is shown that the consideration of a Prandtl number defined in the Boltzmann equation sense represents a more appropriate approach to address the question considered.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica A: Statistical Mechanics and its Applications - Volume 423, 1 April 2015, Pages 27–32
نویسندگان
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