Related papers: Coarse-graining a restricted solid-on-solid model
In the field of machine learning coarse-grained potentials in molecular dynamics, many propagators require that the effective Hamiltonian is quadratic in momentum, thus limiting the family of coarse-graining functions. In this paper, we…
We propose a highly coarse-grained simulation model for crystalline polymer solids with crystalline lamellar structures. The mechanical properties of a crystalline polymer solid are mainly determined by the crystalline lamellar structures.…
In soft matter systems the local displacement field can be accessed directly by video microscopy enabling one to compute local strain fields and hence the elastic moduli using a coarse-graining procedure. We study this process for a simple…
Given a fine-scale physical theory characterized by an evolutionary system of equations and a set of quantities, defined from the variables of the fine theory, that serve as a coarse representation of the fine scale phenomena, a systematic…
An important class of fluid-structure problems involve the dynamics of ordered arrays of immersed, flexible fibers. While specialized numerical methods have been developed to study fluid-fiber systems, they become infeasible when there are…
Based on a first order gradient expansion a consistent transport equation is derived for a nonrelativistic system beyond the quasiparticle approximation, i.e. for a regime where the dynamically generated width of the states is allowed to be…
In this article, we study the passage of limits from discrete to continuous condensing aggregation equation which comprises of Oort-Hulst-Safronov (OHS) equation together with inverse aggregation process. We establish the relation between…
We analyze Lindblad-Gorini-Kossakowski-Sudarshan-type generators for selected periodically driven open quantum systems. All these generators can be obtained by temporal coarse-graining procedures, and we compare different coarse-graining…
Structural and thermodynamic consistency of coarse-graining models across multiple length scales is essential for the predictive role of multi-scale modeling and molecular dynamic simulations that use mesoscale descriptions. Our approach is…
A new definition of coarse-grained quantities describing the dust flow in General Relativity is proposed. It assigns the coarse--grained expansion, shear and vorticity to finite-size comoving domains of fluid in a covariant,…
We present a general purpose method for solving partial differential equations on a closed surface, based on a technique for discretizing the surface introduced by Wenjun Ying and Wei-Cheng Wang [J. Comput. Phys. 252 (2013), pp. 606-624]…
A dynamical atomistic chain to simulate mechanical properties of a one-dimensional material with zero temperature may be modelled by the molecular dynamics (MD) model. Because the number of particles (atoms) is huge for a MD model, in…
Structure-based coarse graining of molecular systems offers a systematic route to reproduce the many-body potential of mean force. Unfortunately, common strategies are inherently limited by the molecular mechanics force field employed.…
By applying a hybrid Molecular dynamics and mesoscopic simulation technique, we study the classic convection-diffusion problem of Taylor dispersion for colloidal discs in confined flow. We carefully consider the time and length-scales of…
We introduce a closure model for coarse-grained kinetic theories of polar active fluids. Based on a quasi-equilibrium approximation of the particle distribution function, the model closely captures important analytical properties of the…
A solid-on-solid growth model for dimer adsorption and desorption is introduced and studied numerically. The special property of the model is that dimers can only desorb at the edges of terraces. It is shown that the model exhibits a…
The first paper of this series [J. Chem. Phys. 158, 034103 (2023)] demonstrated that excess entropy scaling holds for both fine-grained and corresponding coarse-grained (CG) systems. Despite its universality, a more exact determination of…
We prove local boundedness and a Harnack inequality for nonnegative weak solutions of the equation $-\nabla\cdot(\mathbf{a}(x)\nabla u)=0$ under a coarse-grained ellipticity assumption on the symmetric coefficient field $\mathbf{a}$.…
A discrete-to-continuum analysis for free-boundary problems related to crystalline films deposited on substrates is performed by $\Gamma$-convergence. The discrete model here introduced is characterized by an energy with two contributions,…
Finite stochastic Markov models play a major role for modelling biochemical pathways. Such models are a coarse-grained description of the underlying microscopic dynamics and can be considered mesoscopic. The level of coarse-graining is to a…