Controlled Self-Assembly of Nanocrystalline Arrays Studied by 3D Kinetic Monte Carlo Modeling

2011 ◽  
Vol 115 (40) ◽  
pp. 19557-19568 ◽  
Author(s):  
Abuhanif K. Bhuiyan ◽  
Steven K. Dew ◽  
Maria Stepanova
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Modeling

Growth of vertically aligned nanowires in metal–oxide nanocomposites: kinetic Monte-Carlo modeling versus experiments

Nanoscale ◽  
2018 ◽  
Vol 10 (16) ◽  
pp. 7666-7675 ◽  
Author(s):  
M. Hennes ◽  
V. Schuler ◽  
X. Weng ◽  
J. Buchwald ◽  
D. Demaille ◽  
...  
Keyword(s):  
Thin Films ◽  
Monte Carlo ◽  
Metal Oxide ◽  
Self Assembly ◽  
Kinetic Monte Carlo ◽  
The Self ◽  
Metallic Nanowires ◽  
Monte Carlo Modeling ◽  
Monte Carlo Approach ◽  
Vertically Aligned

We developed a kinetic Monte-Carlo approach to model the self-assembly of ultrathin metallic nanowires during the growth of hybrid Ni–SrTiO3 thin films.

Kinetic Monte Carlo Simulations of Strain-Induced Nanopatterning on Hexagonal Surfaces

2002 ◽  
Vol 731 ◽  
Author(s):  
M.I. Larsson ◽  
B. Lee ◽  
R. Sabiryanov ◽  
K. Cho ◽  
W. Nix ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Saddle Point ◽  
Self Assembly ◽  
Nearest Neighbor ◽  
Kinetic Monte Carlo ◽  
Research Field ◽  
Surface Strain ◽  
Manufacturing Cost ◽  
Component Size ◽  
Quantum Mechanical Effects

AbstractGuided self assembly of periodic arrays of quantum dots has recently emerged as an important research field not only to reduce component size and manufacturing cost but also to explore and apply quantum mechanical effects in novel nanodevices. The intention of this kinetic Monte Carlo (KMC) simulation study is to investigate self-organized nanopatterning on hexagonal surfaces for relaxed periodic surface strain fields applied to Pt(111) epitaxy. The KMC model is a full diffusion bond-counting model including nearest neighbor as well as second-nearest neighbor interactions with an event catalogue consisting of 8989 events modeling the effect of the biaxial surface strain field. The strain dependence of the fcc site and the saddle point for a Pt adatom migrating on top of the Pt(111) surface is calculated using the embedded atom method. Both the valley and the saddle point energies show an excellent linear dependence on the strain. These results are applied in the KMC model. The surface strain in this study is caused by a hexagonal network of dislocations at the interface between the substrate and a mismatched epitaxial layer. How the selforganization of deposited atoms is influenced by the surface strain will be addressed.

scholarly journals A kinetic study on the para-fluoro-thiol reaction in view of its use in materials design

2019 ◽  
Vol 10 (22) ◽  
pp. 2781-2791 ◽  
Author(s):  
Federica Cavalli ◽  
Lies De Keer ◽  
Birgit Huber ◽  
Paul H. M. Van Steenberge ◽  
Dagmar R. D'hooge ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Kinetic Study ◽  
Experimental Analysis ◽  
Kinetic Monte Carlo ◽  
Materials Design ◽  
Monte Carlo Modeling ◽  
The Difference ◽  
Thiol Reaction

A detailed kinetic study on the para-fluoro-thiol reaction (PFTR) using experimental analysis and kinetic Monte Carlo modeling is introduced, covering the difference in reactivity of a selected variety of structurally different thiols, uniquely including polymeric thiols.

Noble Gas Bubbles in Bcc Metals: Ab Initio-Based Theory and Kinetic Monte Carlo Modeling

2021 ◽  
Author(s):  
Chao Jiang ◽  
Yongfeng Zhang ◽  
Larry K. Aagesen ◽  
Andrea M. Jokisaari ◽  
Cheng Sun ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Kinetic Monte Carlo ◽  
Noble Gas ◽  
Gas Bubbles ◽  
Monte Carlo Modeling ◽  
Bcc Metals
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