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Ab-Initio Simulations to Study the Configurational Entropy of Column IV Microclusters
Published online by Cambridge University Press: 16 February 2011
Abstract
We directly simulate the dynamics of carbon and silicon clusters to study the relevance of the probability distribution of coordinates to experimentally measured phenomena. We believe that the high temperature conformations are not necessarily related to the ground state minimum, and that care should be exercised when comparing ground state T = 0 calculations to experiments performed at high temperature.
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- Copyright © Materials Research Society 1990