相关论文: Dissipative particle dynamics simulation plus slip…

Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…

The importance of accurate simulation of the plastic deformation of ductile metals to the design of structures and components is well-known. Many techniques exist that address the length scales relevant to deformation pro- cesses, including…

This paper studies the dynamics of relaxation phenomena in the standard dissipative particle dynamics (DPD) model [Groot and Warren, JCP, 107:4423 (1997)]. Using fluctuating hydrodynamics as the framework of the investigation, we focus on…

An elastic rod model for semi-flexible polymers is presented. Theory for a continuum rod is reviewed, and it is shown that a popular discretised model used in numerical simulations gives the correct continuum limit. Correlation functions…

Spring-mass models are well established tools for the analysis and control of legged locomotion. Among the alternatives, spring-loaded inverted pendulum (SLIP) model has shown to be a very accurate descriptor of animal locomotion. Despite…

We present a novel, fast differentiable simulator for soft-body learning and control applications. Existing differentiable soft-body simulators can be classified into two categories based on their time integration methods: Simulators using…

Dissipative particle dynamics (DPD) does not conserve energy and this precludes its use in the study of thermal processes in complex fluids. We present here a generalization of DPD that incorporates an internal energy and a temperature…

We introduce rd-spiral, an open-source Python library for simulating 2D reaction-diffusion systems using pseudo-spectral methods. The framework combines FFT-based spatial discretization with adaptive Dormand-Prince time integration,…

We present a minimal model for simulating dynamics of assorted lipid assemblies in a computationally efficient manner. Our model is particle-based and consists of coarse-grained beads put together on a modular platform to give generic…

The diffusion and flow of amorphous materials, such as glasses and granular materials, has resisted a simple microscopic description, analogous to defect theories for crystals. Early models were based on either gas-like inelastic collisions…

The reconstruction and prediction of full-state flows from sparse data are of great scientific and engineering significance yet remain challenging, especially in applications where data are sparse and/or subjected to noise. To this end,…

In this work, we consider a diffusive two-species d-dimensional model and study it in great details. Two types of particles, with hard-core, diffuse symmetrically and cross each other. For arbitrary dimensions, we obtain the exact density,…

The linear viscoelastic response of single semiflexible polymer chains in the infinite-dilution limit is studied using Brownian dynamics simulations of coarse-grained bead-spring chains. The springs obey the FENE-Fraenkel force law, a…

Fusion power plants will require detachment to mitigate sputtering and keep divertor heat fluxes at tolerable levels. Controlling detachment on these devices may require the use of real-time scrape-off-layer modeling to complement the…

Recent theory and experiments have shown how the buildup of a high-concentration polymer layer at a one-dimensional solvent-air interface can lead to an evaporation rate that scales with time as $t^{-1/2}$ and that is insensitive to the…

Tracer diffusion in crowded environments is central to many biological and soft matter systems, but quantitative frameworks for linking tracer motion to environmental structure remain limited. Here, we study the transport of rigid tracers…

We present a Lagrangian Heterogeneous Multiscale Method (LHMM) for simulating the non-Newtonian rheology of polymer melts in complex two-dimensional flows. The method couples Dissipative Particle Dynamics (DPD) at the microscale with a…

Understanding transition pathways between two meta-stable states of a molecular system is crucial to advance drug discovery and material design. However, unbiased molecular dynamics (MD) simulations are computationally infeasible because of…

To develop a dislocation-based statistical continuum theory of crystal plasticity is a major challenge of materials science.During the last two decades such a theory has been developed for the time evolution of a system of parallel edge…

We study self-diffusion and sedimentation in colloidal suspensions of nearly-hard spheres using the multiparticle collision dynamics simulation method for the solvent with a discrete mesh model for the colloidal particles (MD+MPCD). We…