Modeling and simulations of multicellular aggregate self-assembly in biofabrication using kinetic Monte Carlo methods

Soft Matter ◽  
2013 ◽  
Vol 9 (7) ◽  
pp. 2172 ◽  
Author(s):  
Yi Sun ◽  
Qi Wang
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Methods ◽  
Self Assembly ◽  
Kinetic Monte Carlo ◽  
Modeling And Simulations ◽  
Multicellular Aggregate

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.

Off-Lattice Kinetic Monte Carlo Methods

2018 ◽  
pp. 1-29
Author(s):  
Mickaël Trochet ◽  
Normand Mousseau ◽  
Laurent Karim Béland ◽  
Graeme Henkelman
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Methods ◽  
Kinetic Monte Carlo

scholarly journals Lattice models and Monte Carlo methods for simulating DNA origami self-assembly

2018 ◽  
Vol 149 (23) ◽  
pp. 234905 ◽  
Author(s):  
Alexander Cumberworth ◽  
Aleks Reinhardt ◽  
Daan Frenkel
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Methods ◽  
Self Assembly ◽  
Lattice Models ◽  
Dna Origami

Deriving molecular bonding from a macromolecular self-assembly using kinetic Monte Carlo simulations

2008 ◽  
Vol 77 (20) ◽  
Author(s):  
Fabien Silly ◽  
Ulrich K. Weber ◽  
Adam Q. Shaw ◽  
Victor M. Burlakov ◽  
Martin R. Castell ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Self Assembly ◽  
Kinetic Monte Carlo ◽  
Kinetic Monte Carlo Simulations ◽  
Molecular Bonding
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