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Signed distance fields (SDFs) are a widely used implicit surface representation, with broad applications in computer graphics, computer vision, and applied mathematics. To reconstruct an explicit triangle mesh surface corresponding to an…

A first-order transition is numerically found in a spherical surface model with skeletons, which are linked to each other at junctions. The shape of the triangulated surfaces is maintained by skeletons, which have a one-dimensional bending…

The development and first applications of a new periodic energy decomposition analysis (pEDA) scheme for extended systems based on the Kohn-Sham approach to density functional theory are described. The pEDA decomposes the binding energy…

We present an extension to the two-dimensional functional renormalization group to efficiently treat interactions on the surface or at interfaces of three-dimensional systems. As an application, we consider a semi-infinite stack of…

Phase separated macromolecules play essential roles in many biological and synthetic systems. Physical characterization of these systems can be challenging because of limited sample volumes, particularly for phase-separated proteins. Here,…

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…

Models of soil organic carbon (SOC) frequently overlook the effects of spatial dimensions and microbiological activities. In this paper, we focus on two reaction-diffusion chemotaxis models for SOC dynamics, both supporting…

We present a comprehensive theoretical and computational model that explores the behavior of a thin hydrated film bonded to a non-hydrated / impermeable soft substrate in the context of surface and bulk elasticity coupled with surface…

Dynamic mode decomposition (DMD) provides a principled approach to extract physically interpretable spatial modes from time-resolved flow field data, along with a linear model for how the amplitudes of these modes evolve in time. Recently,…

We consider a mixture of one neutral and two oppositely charged types of molecules confined to a surface. Using analytical techniques and molecular dynamics simulations, we construct the phase diagram of the system and exhibit the…

Using an interface displacement model derived from a microscopic density functional theory we investigate thin liquidlike wetting layers adsorbed on flat substrates with an embedded chemical heterogeneity forming a stripe. For a wide range…

Spinodal decomposition, a key mechanism to microstructure formation in materials, has long posed challenges for predictive modeling, due to the need for parameter-free approaches that accurately capture local energy landscapes. In this…

Dissipative particle dynamics (DPD) is a well-established mesoscale simulation method. However, there have been long-standing ambiguities regarding the dependence of its (purely repulsive) force field parameter on temperature as well as the…

Liquid films of nanometric thickness are prone to spinodal dewetting driven by disjoining pressure, meaning that a non-wetting liquid film of homogeneous thickness in the range of tens of nanometers will spontaneously break into droplets.…

A three-dimensional simulation model is proposed here to study the erosive wear of structure caused by solid particles, which accounts for the accumulation of surface deformation and degradation during the erosion process. Although there…

A method to couple interparticle contact models with Stokesian dynamics (SD) is introduced to simulate colloidal aggregates under flow conditions. The contact model mimics both the elastic and plastic behavior of the cohesive connections…

Control over the physical properties of materials is ubiquitously required in many fields. One means by which this can be achieved is controlling the internal structure of multi-component materials with an eye to enhancing mechanical…

Particle resuspension refers to the physical process by which solid particles deposited on a surface are, first, detached and, then, entrained away by the action of a fluid flow. In this study, we explore the dynamics of large and heavy…

There are three fundamental physical processes that gives rise to the morphology of a surface: deposition, surface diffusion and desorption. The characteristics of the interfaces generated by the combination of deposition and surface…

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…