Kinetic Monte Carlo simulation for homogeneous nucleation of metal nanoparticles during vapor phase synthesis
Sign Up to like & getrecommendations! Published in 2018 at "Aiche Journal"
DOI: 10.1002/aic.15887
Abstract: We present a free-energy driven kinetic Monte Carlo model to simulate homogeneous nucleation of metal nanoparticles (NPs) from vapor phase. The model accounts for monomer-cluster condensations, cluster-cluster collisions, and cluster evaporations simultaneously. Specifically, we investigate… read more here.
Keywords: nucleation metal; metal nanoparticles; monte carlo; homogeneous nucleation ... See more keywords
Using kinetic monte carlo simulations to design efficient magnetic nanoparticles for clinical hyperthermia.
Sign Up to like & getrecommendations! Published in 2021 at "Medical physics"
DOI: 10.1002/mp.15317
Abstract: PURPOSE The purpose of this study was to identify the properties of magnetite nanoparticles that deliver optimal heating efficiency, predict the geometrical characteristics to get these target properties, and determine the concentrations of nanoparticles required… read more here.
Keywords: field; monte carlo; magnetic nanoparticles; magnetite nanoparticles ... See more keywords
Gaining Insight into the Electrochemical Interface Dynamics in an Organic Redox Flow Battery with a Kinetic Monte Carlo Approach.
Sign Up to like & getrecommendations! Published in 2022 at "Small"
DOI: 10.1002/smll.202107720
Abstract: Finding low-cost and nontoxic redox couples for organic redox flow batteries is challenging due to unrevealed reaction mechanisms and side reactions. In this study, a 3D kinetic Monte Carlo model to study the electrode-anolyte interface… read more here.
Keywords: redox flow; monte carlo; organic redox; redox ... See more keywords
Kinetic Monte Carlo simulation of nanoparticle film formation via nanocolloid drying
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Nanoparticle Research"
DOI: 10.1007/s11051-017-3898-3
Abstract: A kinetic Monte Carlo simulation of nanoparticle film formation via nanocolloid drying is presented. The proposed two-dimensional model addresses the dynamics of nanoparticles in the vertical plane of a drying nanocolloid film. The gas–liquid interface… read more here.
Keywords: monte carlo; nanoparticle; formation; carlo simulation ... See more keywords
Object kinetic Monte Carlo methods applied to modeling radiation effects in materials
Sign Up to like & getrecommendations! Published in 2019 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.05.024
Abstract: Abstract The object kinetic Monte Carlo (OKMC) method has proven to be an excellent tool to better understand microstructure evolution in irradiated materials, from metals to semiconductors. Its most valuable capability is that it provides… read more here.
Keywords: kinetic monte; radiation; monte carlo; object kinetic ... See more keywords
Hybrid kinetic Monte Carlo algorithm for strongly trapping alloy systems
Sign Up to like & getrecommendations! Published in 2020 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2019.109386
Abstract: Abstract Selected solute atoms can strongly interact with and slow down the diffusion of point defects in alloy systems. While such additions can be beneficial, for instance to promote microstructural stability during thermal annealing or… read more here.
Keywords: alloy systems; kmc algorithms; kmc; monte carlo ... See more keywords
Study on the competitive growth mechanism of SiC polytypes using Kinetic Monte Carlo method
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Crystal Growth"
DOI: 10.1016/j.jcrysgro.2021.126042
Abstract: Abstract The competitive growth process of the 4H and 6H polytypes of SiC is studied by a competitive Kinetic Monte Carlo model(KMC), which takes the atoms of silicon and carbon as the elementary kinetic particle… read more here.
Keywords: kinetic monte; monte carlo; growth; model ... See more keywords
Simulations of bi-direction pedestrian flow using kinetic Monte Carlo methods
Sign Up to like & getrecommendations! Published in 2019 at "Physica A: Statistical Mechanics and its Applications"
DOI: 10.1016/j.physa.2019.04.081
Abstract: Abstract We present a two-dimensional (2D) lattice model based on the exclusion principle and Arrhenius microscopic dynamics to study bi-direction pedestrian flows. This model implements stochastic rules for pedestrians’ movements based on the configuration of… read more here.
Keywords: kinetic monte; monte carlo; direction pedestrian; pedestrian flow ... See more keywords
Kinetic Monte Carlo simulation for semiconductor processing: A review
Sign Up to like & getrecommendations! Published in 2018 at "Progress in Materials Science"
DOI: 10.1016/j.pmatsci.2017.09.003
Abstract: Abstract The Kinetic Monte Carlo (KMC) algorithm is a particularly apt technique to simulate the complex processing of semiconductor devices. In this review, some of the main processes used for semiconductor industries to manufacture transistor… read more here.
Keywords: semiconductor; monte carlo; kinetic monte; processing ... See more keywords
Kinetic Monte Carlo simulation of Ni nanowires on Cu(1 0 0) stepped surfaces
Sign Up to like & getrecommendations! Published in 2019 at "Results in Physics"
DOI: 10.1016/j.rinp.2019.01.050
Abstract: Abstract In this paper we use Kinetic Monte-Carlo (KMC) simulations based on the solid-on-solid model to determine optimum growth parameters, such as deposition rate F, substrate temperature T and coverage rate θ for growing “perfect”… read more here.
Keywords: kinetic monte; carlo simulation; monte carlo; simulation nanowires ... See more keywords
Local Temporal Acceleration Scheme to Couple Transport and Reaction Dynamics in Kinetic Monte Carlo Models of Electrochemical Systems.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c01010
Abstract: Kinetic Monte Carlo (kMC) simulations are a well-established tool for investigating the operation of electrochemical systems. Standard kMC algorithms become unfeasible in the presence of processes on vastly different time scales. In electrochemical systems, such… read more here.
Keywords: kinetic monte; monte carlo; time; electrochemical systems ... See more keywords