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We present Monte Carlo simulations of colloidal particles pulled into grafted polymer layers by external fields. The insertion free energy of a single colloid into the polymer layer is qualitatively different for surfaces with an ordered…

Soft Condensed Matter · Physics 2012-10-17 Tine Curk , Francisco J. Martinez-Veracoechea , Daan Frenkel , Jure Dobnikar

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…

Soft Condensed Matter · Physics 2024-02-01 Lucas Frérot , Lars Pastewka

Gloss is a quantity used in the optical industry to quantify and categorize materials according to how well they scatter light specularly. With the aid of phase perturbation theory, we derive an approximate expression for this quantity for…

Materials Science · Physics 2010-05-04 Ingve Simonsen , AAge G. Larsen , Erik Andreassen , Espen Ommundsen , Katrin Nord-Varhaug

Context: There is increasing need for good algorithms for modeling the aggregation and fragmentation of solid particles (dust grains, dust aggregates, boulders) in various astrophysical settings, including protoplanetary disks, planetary-…

Astrophysics · Physics 2009-11-13 A. Zsom , C. P. Dullemond

We present a theoretical and computational model for the behavior of a porous solid undergoing two interdependent processes, the finite deformation of a solid and species migration through the solid, which are distinct in bulk and on…

Soft Condensed Matter · Physics 2023-05-16 Jaemin Kim , Ida Ang , Francesco Ballarin , Chung-Yuen Hui , Nikolaos Bouklas

Monte-Carlo simulations are routinely used for estimating the scaling exponents of complex systems. However, due to finite-size effects, determining the exponent values is often difficult and not reliable. Here we present a novel technique…

Computational Physics · Physics 2013-03-05 Indrek Mandre , Jaan Kalda

Desorption of deposited species plays a role in determining the evolution of surface morphology during crystal growth when the desorption time constant is short compared to the time to diffuse to a defect site, step edge or kink. However,…

We present a simple non-equilibrium model of mass condensation with Lennard-Jones interactions between particles and the substrate. We show that when some number of particles is deposited onto the surface and the system is left to…

Statistical Mechanics · Physics 2015-09-22 Jeremi Kazimierz Ochab , Hannes Nagel , Wolfhard Janke , Bartlomiej Waclaw

We report results of the first computer simulation studies of a physically adsorbed gas on a quasicrystalline surface, Xe on decagonal Al-Ni-Co. The grand canonical Monte Carlo method is employed, using a semi-empirical gas-surface…

Materials Science · Physics 2009-11-11 Stefano Curtarolo , Wahyu Setyawan , Nicola Ferralis , Renee D. Diehl , Milton W. Cole

Stochastic growth of binary alloys on a weakly interacting substrate is studied by kinetic Monte Carlo simulation. The underlying lattice model relates to fcc alloys, and the kinetics are based on deposition, atomic migration with…

Statistical Mechanics · Physics 2007-05-23 S. Heinrichs , W. Dieterich , P. Maass

Elastic systems that are spatially heterogeneous in their mechanical response pose special challenges for molecular simulations. Standard methods for sampling thermal fluctuations of a system's size and shape proceed through a series of…

Materials Science · Physics 2015-05-13 Sander Pronk , Phillip L. Geissler

Growth of nanoclusters and nanopillars is considered in a model of surface deposition of building blocks (atoms) diffusionally transported from solution to the forming surface structure. Processes of surface restructuring are also accounted…

Materials Science · Physics 2014-05-07 V. Privman , V. Gorshkov , O. Zavalov

We report numerical simulations of membrane tubulation driven by large colloidal particles. Using Monte Carlo simulations we study how the process depends on particle size, concentration and binding strength, and present accurate free…

Soft Condensed Matter · Physics 2015-06-05 Andela Šarić , Angelo Cacciuto

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…

Soft Condensed Matter · Physics 2025-05-07 Jaemin Kim , Keon Ho Kim , Nikolaos Bouklas

Characteristics of relaxed density profile and conformation of polymer chains are studied by a Monte Carlo simulation on a discrete lattice in three dimensions using different segmental (kink-jump $K$, crank-shaft $C$, reptation $R$)…

Soft Condensed Matter · Physics 2007-05-23 Frank W. Bentrem , Jun Xie , R. B. Pandey

This paper concerns the long term behaviour of a growth model describing a random sequential deposition of particles on a finite graph. The probability of allocating a particle at a vertex is proportional to a log-linear function of numbers…

Probability · Mathematics 2020-04-13 Mikhail Menshikov , Vadim Shcherbakov

Linear rate equations are used to describe the cascading decay of an initial heavy cluster into fragments. We consider moments of arbitrary orders of the mass multiplicity spectrum and derive scaling properties pertaining to their time…

Nuclear Theory · Physics 2008-11-26 B. G. Giraud , R. Peschanski

We investigate by numerical simulation the system size dependence of the shear delamination strength of thin elastic films. The films are connected to a rigid substrate by a disordered interface containing a pre-existing crack. The size…

Materials Science · Physics 2015-05-20 Michael Zaiser

Many clustering algorithms when the data are curves or functions have been recently proposed. However, the presence of contamination in the sample of curves can influence the performance of most of them. In this work we propose a robust,…

Understanding and optimizing thin-film synthesis requires measuring the diffusion length $d_\alpha$ of adsorbed growth precursors. Despite technological advances, in-situ measurements of $d_\alpha$ are often unachievable due to harsh…