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Register a new userMapping of dissipative particle dynamics in fluctuating hydrodynamics simulations
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Dissipative particle dynamics (DPD) is a novel particle method for mesoscale modeling of complex fluids. DPD particles are often thought to represent packets of real atoms, and the physical scale probed in DPD models are determined by the mapping of DPD variables to the corresponding physical quantities. However, the non-uniqueness of such mapping has led to difficulties in setting up simulations to mimic real systems and in interpreting results. For modeling transport phenomena where thermal fluctuations are important (e.g., fluctuating hydrodynamics), an area particularly suited for DPD method, we propose that DPD fluid particles should be viewed as only 1) to provide a medium in which the momentum and energy are transferred according to the hydrodynamic laws and 2) to provide objects immersed in the DPD fluids the proper random kicks such that these objects exhibit correct fluctuation behaviors at the macroscopic scale. We show that, in such a case, the choice of system temperature and mapping of DPD scales to physical scales are uniquely determined by the level of coarse-graining and properties of DPD fluids. We also verified that DPD simulation can reproduce the macroscopic effects of thermal fluctuation in particulate suspension by showing that the Brownian diffusion of solid particles can be computed in DPD simulations with good accuracy.
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We argue that different formulations of hydrodynamics are related to uncertainties in the definitions of local thermodynamic and hydrodynamic variables. We show that this ambiguity can be resolved by viewing different formulations of hydrodynamics as particular gauge choices which lead to the same physical behavior of the system. Using the example of bulk viscosity, we show that Bemfica-Disconzi-Noronha-Kovtun (BDNK) and Israel-Stewart hydrodynamics are particular gauge choices of this type, related by a well-defined transformation of thermodynamic and hydrodynamic variables. We argue that this gauge ambiguity is necessary to ascertain the causality of stochastic hydrodynamic evolution and conjecture that it could explain the applicability of hydrodynamics outside its expected regime of validity since far from equilibrium and close to equilibrium may be related through transformations of this type.
Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the compressibility and the diffusion coefficient. We assess the quality of these integration schemes, including variants based on a recently suggested self-consistent approach, and examine their relative performance. Implications of integrator-induced effects are discussed.
In this study we investigated the capabilities of the mesh-free, Lagrangian particle method (Smoothed Particle Hydrodynamics, SPH) to simulate the detailed hydrodynamic processes generated by both spilling and plunging breaking waves within the surf zone. The weakly-compressible SPH code DualSPHysics was applied to simulate wave breaking over two distinct bathymetric profiles (a plane beach and fringing reef) and compared to experimental flume measurements of waves, flows, and mean water levels. Despite the simulations spanning very different wave breaking conditions (including an extreme case with violently plunging waves on an effectively dry reef slope), the model was able to reproduce a wide range of relevant surf zone hydrodynamic processes using a fixed set of numerical parameters. This included accurate predictions of the nonlinear evolution of wave shapes (e.g., asymmetry and skewness properties), rates of wave dissipation within the surf zone, and wave setup distributions. By using this mesh-free approach, the model was able to resolve the critical crest region within the breaking waves, which provided robust predictions of the wave-induced mass fluxes within the surf zone responsible for the undertow. Within this breaking crest region, the model results capture how the potential energy of the organized wave motion is initially converted to kinetic energy and then dissipated, which reproduces the distribution of wave forces responsible for wave setup generation across the surf zone. Overall, the results reveal how the mesh-free SPH approach can accurately reproduce the detailed wave breaking processes with comparable skill to state-of-the-art mesh-based Computational Fluid Dynamics (CFD) models, and thus can be applied to provide valuable new physical insight into surf zone dynamics.
Dissipative particle dynamics (DPD) belongs to a class of models and computational algorithms developed to address mesoscale problems in complex fluids and soft matter in general. It is based on the notion of particles that represent coarse-grained portions of the system under study and allow, therefore, to reach time and length scales that would be otherwise unreachable from microscopic simulations. The method has been conceptually refined since its introduction almost twenty five years ago. This perspective surveys the major conceptual improvements in the original DPD model, along with its microscopic foundation, and discusses outstanding challenges in the field. We summarize some recent advances and suggests avenues for future developments.
Transport coefficients of causal dissipative relativistic fluid dynamics (CDR) are studied in quenched lattice simulations. CDR describes the behavior of relativistic non-Newtonian fluids in which the relaxation time appears as a new transport coefficient besides the shear and bulk viscosities. It was recently shown that these coefficients can be given by the temporal-correlation functions of the energy-momentum tensors as in the case of the Green-Kubo-Nakano formula. By using the new formula in CDR, we study the transport coefficients with lattice simulations in pure SU(3) gauge theory. After defining the energy-momentum tensor on the lattice, we extract a ratio of the shear viscosity to the relaxation time which is given only in terms of the static correlation functions. The simulations are performed on $24^3 times 4$--16 lattices with $beta_{_{rm LAT}} = 6.0$, which corresponds to the temperature range of $0.5 simle T/T_c simle 1.8$, where $T_c$ is the critical temperature.
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