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Modelling the nano-scale phenomena in condensed matter physics via computer-based numerical simulations

Modelling the nano-scale phenomena in condensed matter physics via computer-based numerical simulations

Rafii-Tabar, H. (2000) Modelling the nano-scale phenomena in condensed matter physics via computer-based numerical simulations. Physics Reports, 325 (6). pp. 239-310. ISSN 0370-1573 (doi:10.1016/S0370-1573(99)00087-3)

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Abstract

A review of the atomistic modelling of the behaviour of nano-scale structures and processes via molecular dynamics (MD) simulation method of a canonical ensemble is presented. Three areas of application in condensed matter physics are considered. We focus on the adhesive and indentation properties of the solid surfaces in nano-contacts, the nucleation and growth of nano-phase metallic and semi-conducting atomic and molecular films on supporting substrates, and the nano- and multi-scale crack propagation properties of metallic lattices. A set of simulations selected from these fields are discussed, together with a brief introduction to the methodology of the MD simulation. The pertinent inter-atomic potentials that model the energetics of the metallic and semi-conducting systems are also given.

Item Type: Article
Uncontrolled Keywords: nano-scale, modelling, nano-phase, nano-adhesion, nano-fracture, nano-films
Subjects: Q Science > Q Science (General)
Q Science > QA Mathematics
Pre-2014 Departments: School of Computing & Mathematical Sciences
School of Computing & Mathematical Sciences > Centre for Numerical Modelling & Process Analysis
Related URLs:
Last Modified: 14 Oct 2016 08:59
Selected for GREAT 2016: None
Selected for GREAT 2017: None
Selected for GREAT 2018: None
URI: http://gala.gre.ac.uk/id/eprint/280

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