A new non-linear two-time-level Central Leapfrog scheme in staggered conservation-flux variables for fluctuating hydrodynamics equations with GPU implementation
A new non-linear two-time-level Central Leapfrog scheme in staggered conservation-flux variables for fluctuating hydrodynamics equations with GPU implementation
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DOI：
10.1016/j.cma.2014.07.027
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发表时间：
2014-11-01
影响因子：
7.2
通讯作者：
Goloviznin, V. M.
中科院分区：
文献类型：
--
作者：
Markesteijn, A. P.;Karabasov, S. A.;Goloviznin, V. M.
为了求解Landau-Lifshitz Navier-Stokes脉动流体力学方程组，对经典的中心蛙跳格式进行了两时间级的修正，并引入了非线性通量修正。新算法实现简单，在满足波动耗散定理的前提下具有较高的精度。在一维和三维设置的平衡和非平衡问题的数值结果进行了比较与理论预测，直接分子动力学模拟的结果，也与文献中的几个流行的计算方案。由于计算模板的简单性和局部性，新算法可以有效地在GPU上实现，与单核CPU计算相比，计算速度加快了300倍。(C)2014爱思唯尔有限公司版权所有。
For solving Landau-Lifshitz Navier-Stokes fluctuating hydrodynamics equations, a two-time-level modification of the classical Central Leapfrog scheme with non-linear flux correction is developed. The new algorithm is simple for implementation and demonstrates high accuracy in satisfying the fluctuation dissipation theorem. The numerical results for equilibrium and non-equilibrium problems in one-dimensional and three-dimensional settings are compared with theoretical predictions, the results from direct molecular dynamics simulations and also with those of several popular computational schemes in the literature. Because of simplicity and locality of the computational stencil, the new algorithm can be efficiently implemented on the GPU, which accelerates the calculation in comparison with a single-CPU-core computation by a factor of 300. (C) 2014 Elsevier B.V. All rights reserved.