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Smoothed Dissipative Particle Dynamics package for LAMMPS
Computer Physics Communications ( IF 7.2 ) Pub Date : 2020-10-01 , DOI: 10.1016/j.cpc.2020.107261
Morteza Jalalvand , Mohammad A. Charsooghi , Sarah Mohammadinejad

Abstract An isothermal implementation of Smoothed Dissipative Particle Dynamics (SDPD) for LAMMPS is presented. SDPD is useful for hydrodynamics simulations at mesoscale where the effect of thermal fluctuations are important, but a molecular dynamics simulation is prohibitively expensive. We have used this package to simulate diffusion of spherical colloids. The results (particularly the long-time behaviour of velocity autocorrelation function) are in agreement with theoretical models that take hydrodynamic interactions into account. Program summary Program Title: Smoothed Dissipative Particle Hydrodynamics Program Files doi: http://dx.doi.org/10.17632/nhfp6nsr6n.1 Licensing provisions: LGPLv3 Programming language: C++ Nature of problem: Multi-scale simulation of fluctuating hydrodynamics with consistent thermodynamics and hydrodynamic interactions in arbitrary geometry. Solution method: We have implemented an isothermal version of the Smoothed Dissipative Particle Hydrodynamics. SDPD is a multi-scale method as its input is only the resolution of particle grid used to model the fluid and macroscopic properties of fluid like viscosity and density (e.g there is no need to specify the strength of fluctuating force). SDPD respects the laws of thermodynamics and the Navier–Stokes equation by design.

中文翻译:

用于 LAMMPS 的平滑耗散粒子动力学包

摘要 提出了用于 LAMMPS 的平滑耗散粒子动力学 (SDPD) 的等温实现。SDPD 可用于中尺度流体动力学模拟,其中热波动的影响很重要,但分子动力学模拟非常昂贵。我们已经使用这个包来模拟球形胶体的扩散。结果(特别是速度自相关函数的长期行为)与考虑水动力相互作用的理论模型一致。程序摘要 程序名称:平滑耗散粒子流体动力学程序文件 doi:http://dx.doi.org/10.17632/nhfp6nsr6n.1 许可条款:LGPLv3 编程语言:C++ 问题性质:在任意几何形状中具有一致热力学和流体动力学相互作用的波动流体动力学的多尺度模拟。求解方法:我们已经实现了平滑耗散粒子流体动力学的等温版本。SDPD 是一种多尺度方法,因为它的输入只是用于模拟流体和流体的宏观特性(如粘度和密度)的粒子网格的分辨率(例如,无需指定波动力的强度)。SDPD 在设计上尊重热力学定律和 Navier-Stokes 方程。SDPD 是一种多尺度方法,因为它的输入只是用于模拟流体和流体的宏观特性(如粘度和密度)的粒子网格的分辨率(例如,无需指定波动力的强度)。SDPD 在设计上尊重热力学定律和 Navier-Stokes 方程。SDPD 是一种多尺度方法,因为它的输入只是用于模拟流体和流体的宏观特性(如粘度和密度)的粒子网格的分辨率(例如,无需指定波动力的强度)。SDPD 在设计上尊重热力学定律和 Navier-Stokes 方程。
更新日期:2020-10-01
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