Kinetic Monte Carlo approach to Schottky defects in noble metal nanoclusters

DOI10.1007/S10910-016-0667-YzbMATH Open1360.82042OpenAlexW2494798063MaRDI QIDQ511885FDOQ511885

Authors: Forrest H. Kaatz, Adhemar Bultheel, Ottorino Ori 

Publication date: 22 February 2017

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: http://nalag.cs.kuleuven.be/papers/ade/KMC/

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zbMATH Keywords

entropyenthalpycoordination numbercopperdecahedragoldicosahedralow-atomicity systemssilvervacancy concentration

Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25) Statistical mechanics of nanostructures and nanoparticles (82D80)

Cites Work

• The kinetic Monte Carlo method: Foundation, implementation, and application

Cited In (1)

• Atomistic modeling of metal nanocluster motion caused by gas flow impact

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