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We model shell formation of core-shell noble metal nanoparticles. A recently developed kinetic Monte Carlo approach is utilized to reproduce growth morphologies realized in recent experiments on core-shell nanoparticle synthesis, which…
We explore the linear stability of astrophysical discs exhibiting vertical shear, which arises when there is a radial variation in the temperature or entropy. Such discs are subject to a "vertical-shear instability", which recent nonlinear…
A high-fidelity kinetic Monte Carlo (KMC) simulation method (T. Treeratanaphitak, M. Pritzker, N. M. Abukhdeir, Electrochim. Acta 121 (2014) 407--414) using the semi-empirical multi-body embedded-atom method (EAM) potential has been…
Advanced simulations of the mechanical behavior of soft tissues frequently rely on structure-based constitutive models, including smeared descriptions of collagen fibers. Among them, the so-called Discrete Fiber Dispersion (DFD) model is…
We implement a computer-assisted approach that, under appropriate conditions, allows the bifurcation analysis of the coarse dynamic behavior of microscopic simulators without requiring the explicit derivation of closed macroscopic equations…
In this article we propose a discrete lattice model to simulate the elastic, plastic and failure behaviour of isotropic materials. Focus is given on the mathematical derivation of the lattice elements, nodes and edges, in the presence of…
We determine the critical layer thickness for the appearance of misfit dislocations as a function of the misfit between the lattice constants of the substrate and the adsorbate from Kinetic Monte Carlo (KMC) simulations of heteroepitaxial…
A simple discrete planar dynamical model for the ideal (logical) R-S flip-flop circuit is developed with an eye toward mimicking the dynamical behavior observed for actual physical realizations of this circuit. It is shown that the model…
We adapt Vertex models to understand the physical origin of the formation of long-range ordered structures in repulsive soft particles. The model incorporates contributions from the volume and surface area of each particle. Sampling using…
Discrete element modelling (DEM) is one of the most efficient computational approaches to the fracture processes of heterogeneous materials on mesoscopic scales. From the dynamics of single crack propagation through the statistics of crack…
It has been recently demonstrated that textured closed surfaces which are made out of perfect electric conductors (PECs) can mimic highly localized surface plasmons (LSPs). Here, we propose an effective medium which can accurately model LSP…
We numerically investigate the athermal creep deformation of amorphous materials having a wide range of stability. The imposed shear stress serves as the control parameter, allowing us to examine the time-dependent transient response…
We propose and experimentally test a method to fabricate patterns of steep, sharp features on surfaces, by exploiting the nonlinear dynamics of uniformly ion bombarded surfaces. We show via theory, simulation, and experiment, that the…
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…
Mathematical models describing the spatial spreading and invasion of populations of biological cells are often developed in a continuum modelling framework using reaction-diffusion equations. While continuum models based on linear diffusion…
Residual stress and plastic strain in additive manufactured materials can exhibit significant microscopic variation at the powder scale, profoundly influencing the overall properties of printed components. This variation depends on…
We present a solid state system which spontaneously generates remarkable engraving patterns on the surface of Ge. The layered construction, with a metal film on the Ge surface, results in coupling of the metal catalyzed etching reaction…
A phase-field approach describing the dynamics of a strained solid in contact with its melt is developed. By rigorous asymptotic analysis we show that the sharp-interface limit of this model recovers the continuum model equations for the…
Metasurfaces are arrays of subwavelength meta-atoms that shape waves in a compact and planar form factor. Analysis and design of metasurfaces require methods for modeling their interactions with waves. Conventional modeling techniques…
Femtosecond laser excitation of materials that exhibit magnetic spin textures promises advanced magnetic control via the generation of ultrafast and non-equilibrium spin dynamics. We explore such possibilities in ferrimagnetic [Fe(0.35…