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We present a novel approach of mapping dissipative particle dynamics (DPD) into classical molecular dynamics. By introducing the invariant volume element representing the swarm of atoms we show that the interactions between the emerging…

Soft Condensed Matter · Physics 2019-02-19 Vlad P Sokhan , Ilian T Todorov

This paper provides open-source code that works as a viscometer of particle-based simulations of three-dimensional fluid-particle interaction systems, targetting slurry or suspension flow in chemical engineering. The smoothed dissipative…

Computational Physics · Physics 2020-02-11 Satori Tsuzuki

We develop an efficient parallel multiscale method that bridges the atomistic and mesoscale regimes, from nanometer to micron and beyond, via concurrent coupling of atomistic simulation and mesoscopic dynamics. In particular, we combine an…

Computational Physics · Physics 2020-12-23 Yuying Wang , Zhen Li , Junbo Xu , Chao Yang , George Em Karniadakis

The aim of this paper is to introduce a new computational fluid dynamics method to be called unsmoothed particle hydrodynamics SPH$-i$ which makes few assumptions and makes no assumption beyond the Navier-Stokes equations. The most…

Fluid Dynamics · Physics 2018-08-01 Kalale Chola

Even though the Dissipative Particle Dynamics (DPD) has shown its worth in a variety of research areas, it has been rarely used for polymer dynamics, particularly in dilute and semi-dilute conditions and under imposed flow fields. For such…

Soft Condensed Matter · Physics 2024-12-23 Sanjay Jana , Venkata Siva Krishna , Praphul Kumar , Indranil Saha Dalal

We present a systematic, top-down, thermodynamic parametrization scheme for dissipative particle dynamics (DPD) using water-octanol partition coefficients, supplemented by water-octanol phase equilibria and pure liquid phase density data.…

We introduce a new approach for designing numerical schemes for stochastic differential equations (SDEs). The approach, which we have called direction and norm decomposition method, proposes to approximate the required solution $X_t$ by…

Numerical Analysis · Mathematics 2017-02-21 C. M. Mora , H. A. Mardones , J. C. Jimenez , M. Selva , R. Biscay

In this work we will identify a novel relation between Smoothed Particle Hydrodynamics (SPH) and explicit Large Eddy Simulation (LES) using a coarse-graining method from Non-Equilibrium Molecular Dynamics (NEMD). While the current…

Fluid Dynamics · Physics 2022-11-24 Max Okraschevski , Niklas Bürkle , Rainer Koch , Hans-Jörg Bauer

The Smoothed Particle Hydrodynamics (SPH) is a particle-based, Lagrangian method for fluid-flow simulations. In this work, fundamental concepts of this method are first briefly recalled. Then, the ability to accurately model granular…

Geophysics · Physics 2016-02-26 Kamil Szewc

I discuss the key features of Smoothed Particle Hydrodynamics (SPH) as a numerical method - in particular the key differences between SPH and more standard grid based approaches - that are important to the practitioner. These include the…

Instrumentation and Methods for Astrophysics · Physics 2011-11-08 Daniel J. Price

The smoothed particle hydrodynamics (SPH) method is a useful numerical tool for the study of a variety of astrophysical and planetlogical problems. However, it turned out that the standard SPH algorithm has problems in dealing with…

Instrumentation and Methods for Astrophysics · Physics 2015-06-16 Natsuki Hosono , Takayuki R. Saitoh , Junichiro Makino

The finite-difference time-domain (FDTD) algorithm is a popular numerical method for solving electromagnetic problems. FDTD simulations can suffer from instability due to the explicit nature of the method. Stability enforcement can be…

Computational Engineering, Finance, and Science · Computer Science 2018-12-26 Fadime Bekmambetova , Xinyue Zhang , Piero Triverio

Dynamic mode decomposition (DMD) is an emerging methodology that has recently attracted computational scientists working on nonintrusive reduced order modeling. One of the major strengths that DMD possesses is having ground theoretical…

Numerical Analysis · Mathematics 2022-01-12 Shady E. Ahmed , Omer San , Diana A. Bistrian , Ionel M. Navon

Smoothed Particle Hydrodynamics is a multidimensional Lagrangian method of numerical hydrodynamics that has been used to tackle a wide variety of problems in astrophysics. Here we develop the basic equations of the SPH scheme, and we…

Astrophysics · Physics 2007-05-23 Frederic A. Rasio , James C. Lombardi

Previously, we have proposed a direct simulation scheme for colloidal dispersions in a Newtonian solvent [Phys.Rev.E 71,036707 (2005)]. An improved formulation called the ``Smoothed Profile (SP) method'' is presented here in which…

Soft Condensed Matter · Physics 2010-04-15 Yasuya Nakayama , Kang Kim , Ryoichi Yamamoto

We show that simulations of polymer rheology at a fluctuating mesoscopic scale and at the macroscopic scale where flow instabilities occur can be achieved at the same time with dissipative particle dynamics (DPD) technique.} We model the…

Thermophoresis is an effective method to drive the motion of nanoparticles in fluids. The transport of nanoparticles in polymer networks has significant fundamental and applied importance in biology and medicine, and can be described as…

Soft Condensed Matter · Physics 2024-03-01 Yu Lu , Guo-Hui Hu

We present simulations of coherent structures in compressible flows near the transition to turbulence using the Dissipative Particle Dynamics (DPD) method. The structures we find are remarkably consistent with experimental observations and…

This paper proposes a simple strategy to simulate stochastic differential equations (SDE) arising in constant temperature molecular dynamics. The main idea is to patch an explicit integrator with Metropolis accept or reject steps. The…

Numerical Analysis · Mathematics 2010-10-21 Nawaf Bou-Rabee , Eric Vanden-Eijnden

We present a practical guide to Smoothed Particle Hydrodynamics (\SPH) and its application to astrophysical problems. Although remarkably robust, \SPH\ must be used with care if the results are to be meaningful since the accuracy of \SPH\…

Astrophysics · Physics 2007-05-23 T. J. Martin , F. R. Pearce , P. A. Thomas