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We report on resistive switching of memristive electrochemical metallization devices using 3D kinetic Monte Carlo simulations describing the transport of ions through a solid state electrolyte of an Ag/TiO$_{\text{x}}$/Pt thin layer system.…

Materials Science · Physics 2017-06-06 Sven Dirkmann , Thomas Mussenbrock

Structural and kinetic aspects of 2-D irreversible metal deposition under potentiostatic conditions are analyzed by means of dynamic Monte Carlo simulations employing embedded atom potentials for a model system. Three limiting models, all…

Materials Science · Physics 2007-05-23 M. Cecilia Gimenez , Mario G. Del Popolo , Ezequiel P. M. Leiva

To study epitaxial thin-film growth, a new model is introduced and extensive kinetic Monte Carlo simulations performed for a wide range of fluxes and temperatures. Varying the deposition conditions, a rich growth diagram is found. The model…

Statistical Mechanics · Physics 2011-05-03 Cristovao S. Dias , Nuno A. M. Araujo , Antonio Cadilhe

An efficient method for the simulation of strained heteroepitaxial growth with intermixing using kinetic Monte Carlo is presented. The model used is based on a solid-on-solid bond counting formulation in which elastic effects are…

Materials Science · Physics 2015-05-13 Arvind Baskaran , Jason Devita , Peter Smereka

The growth of amorphous TiO2 and anisotropic-polycrystalline ZnO thin-films is studied by means of coarse-grained three-dimensional kinetic Montecarlo simulations under conditions typically encountered in Plasma Enhanced Chemical Vapor…

The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and…

Materials Science · Physics 2016-08-31 Malliga Suewattana , Henry Krakauer , Shiwei Zhang

Advanced operando transmission electron microscopy (TEM) techniques enable the observation of nanoscale phenomena in electrical devices during operation. They can be used to study the switching mechanisms in two-dimensional (2D)…

A phase field method self-consistently coupled to continuum heat transport and charge conservation is used to simulate conducting filament dynamical evolution and nanostructure of electroformed resistive switching thin films. Our method…

Applied Physics · Physics 2023-07-28 John F. Sevic , Nobuhiko P. Kobayashi

Epitaxial films evolve on time and length scales that are inaccessible to atomistic computer simulation methods like molecular dynamics (MD). To numerically predict properties for such systems, a common strategy is to employ kinetic Monte…

Materials Science · Physics 2020-04-08 William Janke , Thomas Speck

In this paper we would like give a short review of our recent works and current investigation in modeling of solid film surfaces growth based on computer Monte Carlo simulations. We also discuss effect of some simplification in growth rules…

Condensed Matter · Physics 2016-08-31 K. Malarz

An iterative algorithm based on Monte Carlo method is used to model thin film growth of AB type molecule and crystallization. Primarly, PVD technique is investigated since it is one of the most preferred on thin film growth processes. The…

Materials Science · Physics 2012-10-17 İzzet Paruğ Duru , Şahin Aktaş

A numerical method for computation of heteroepitaxial growth in the presence of strain is presented. The model used is based on a solid-on-solid model with a cubic lattice. Elastic effects are incorporated using a ball and spring type…

Materials Science · Physics 2009-11-11 Giovanni Russo , Peter Smereka

Based upon kinetic Monte Carlo simulations of crystallization in a simple polymer model we present a new picture of the mechanism by which the thickness of lamellar polymer crystals is constrained to a value close to the minimum…

Condensed Matter · Physics 2007-05-23 Jonathan Doye , Daan Frenkel

We present here a summary of some recent techniques used for atomistic studies of thin film growth and morphological evolution. Specific attention is given to a new kinetic Monte Carlo technique in which the usage of unique labeling schemes…

Materials Science · Physics 2009-11-11 Talat S. Rahman , Chandana Ghosh , Oleg Trushin , Abdelkader Kara , Altaf Karim

We propose a hybrid Molecular Dynamics/Multi-particle Collision Dynamics model to simulate a set of self-assembled semiflexible filaments and free monomers. Further, we introduce a Monte-Carlo scheme to deal with single monomer addition…

Soft Condensed Matter · Physics 2012-02-29 Mathieu Caby , Priscilla Hardas , Sanoop Ramachandran , Jean-Paul Ryckaert

Metallic films are important in catalysis, magneto-optic storage media, and interconnects in microelectronics, and it is crucial to predict and control their morphologies. The evolution of a growing crystal is determined by the behavior of…

Materials Science · Physics 2016-11-03 C. Ratsch , P. Ruggerone , M. Scheffler

The growth of magnetic films with ferromagnetic interactions between nearest-neighbor spins is studied in $(d+1)-$dimensional rectangular geometries for $d = 1,2$. Magnetic films are grown irreversibly by adding spins at the boundaries of…

Statistical Mechanics · Physics 2009-11-11 Julián Candia , Ezequiel V. Albano

The massive parallel approach of neuromorphic circuits leads to effective methods for solving complex problems. It has turned out that resistive switching devices with a continuous resistance range are potential candidates for such…

Epitaxial growth via chemical vapor deposition is considered to be the most promising way towards synthesizing large area graphene with high quality. However, it remains a big theoretical challenge to reveal growth kinetics with atomically…

Chemical Physics · Physics 2015-09-30 Huijun Jiang , Zhonghuai Hou

This work further investigates an aspect of the phase behavior of hard circular arcs, whose phase diagram has been recently calculated by Monte Carlo numerical simulations: the non-nematicity of the filamentary phase that hard minor…

Soft Condensed Matter · Physics 2024-08-13 Juan Pedro Ramírez González , Giorgio Cinacchi
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