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We study an atomistic model that describes the microscopic formation of material voids inside elastically stressed solids under an additional curvature regularization at the discrete level. Using a discrete-to-continuum analysis, by means…
Soft materials are ubiquitous in technological applications that require deformability, for instance, in flexible, water-repellent coatings. However, the wetting properties of pre-strained soft materials are only beginning to be explored.…
In this paper, we develop a multiphysics finite element method for solving the quasi-static thermo-poroelasticity model with nonlinear permeability. The model involves multiple physical processes such as deformation, pressure, diffusion and…
We develop a computational method for modeling electrostatic interactions of arbitrarily-shaped, polarizable objects on colloidal length scales, including colloids/nanoparticles, polymers, and surfactants, dispersed in explicit ion…
Semi-discrete and fully discrete mixed finite element methods are considered for Maxwell-model-based problems of wave propagation in linear viscoelastic solid. This mixed finite element framework allows the use of a large class of existing…
Surface roughness emerges naturally during mechanical removal of material, fracture, chemical deposition, plastic deformation, indentation, and other processes. Here, we use continuum simulations to show how roughness which is neither…
Dispersion of low-density rigid particles with complex geometries is ubiquitous in both natural and industrial environments. We show that while explicit methods for coupling the incompressible Navier-Stokes equations and Newton's equations…
Deformable self-propelled particles provide us with one of the most important nonlinear dissipative systems, which are related, for example, to the motion of microorganisms. It is emphasized that this is a subject of localized objects in…
The dynamic behavior of a partially wetting polymer droplet driven over a nanostructured interface is studied using molecular dynamics simulations. We consider the bead-spring model to represent a polymeric liquid that partially wets a…
We present a novel three-dimensional (3D) variational aeroelastic framework for flapping wing with a flexible multibody system subjected to an external incompressible turbulent flow. The proposed aeroelastic framework consists of a…
We have designed and tested experimentally a morphing structure consisting of a neutrally stable thin cylindrical shell driven by a multiparameter piezoelectric actuation. The shell is obtained by plastically deforming an initially flat…
Dissipative particle dynamics (DPD) is an effective mesoscopic particle model with a lower computational cost than molecular dynamics because of the soft potentials that it employs. However, the soft potential is not strong enough to…
We present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefunction [Phys. Rev. Lett. 113, 083003 (2014)]. Starting with…
We present SoftSMPL, a learning-based method to model realistic soft-tissue dynamics as a function of body shape and motion. Datasets to learn such task are scarce and expensive to generate, which makes training models prone to overfitting.…
Plasticity in amorphous materials, such as glasses, colloids, or granular materials, is mediated by local rearrangements called "soft spots". Experiments and simulations have shown that soft spots are two-state entities interacting via…
Results of recent large-scale molecular dynamics simulations of dislocation-mediated solid plasticity are campared with predictions of the statistical thermodynamic theory of these phenomena. These computational and theoretical analyses are…
Knowledge of the underlying mechanisms of multiphase flow dynamics in porous media is crucial for optimizing subsurface engineering applications like geological carbon sequestration. However, studying the micro-mechanisms of multiphase…
Non-equilibrium molecular dynamics simulations, of crucial importance in sliding friction, are hampered by arbitrariness and uncertainties in the way Joule heat is removed. We implement in a realistic frictional simulation a parameter-free,…
Simulations of gas-solid mixtures are used in many scientific and industrial applications. Two-Fluid Smoothed Particle Hydrodynamics (TFSPH) is an approach when gas and solids are simulated with different sets of particles interacting via…
We present a multiscale simulation algorithm for amorphous materials, which we illustrate and validate in a canonical case of dense granular flow. Our algorithm is based on the recently proposed Spot Model, where particles in a dense random…