@inproceedings{5c20a05df7a1418a84c4694657de9c0a,
title = "Orientation of interstitials in clusters in {\textregistered}-Fe: A comparison between empirical potentials",
abstract = "We have addressed two issues concerning the relative stabilities of various orienta-tions of interstitial clusters in iron by making a comprehensive comparison between four recentempirical potentials. First, we have investigated the effect of finite temperature on the com-petition between clusters made of a few dumbbells oriented along (111) or (111). We showby quasi-harmonic calculations that (111) clusters have much larger vibrational formation en-tropies and that they are therefore stabilized with respect to (111) clusters at high temperature.Second, we have compared the formation energies of loops with several hundred atoms withBurgers vector 1/2 (111) or (111). The 1/2 (111) loops are found to be always more stable, but theenergy differences with (111) loops depend strongly on the potential.",
keywords = "Dislocation loop, Empirical potential, Formation entropy, Interstitials, Iron",
author = "Marinica, \{Mihai Cosmin\} and F. Willaime",
note = "Publisher Copyright: {\textcopyright} 2007 Trans Tech Publications Ltd, Switzerland.; Symposium on Multiscale Kinetic Modelling of Materials, 2006 ; Conference date: 04-09-2006 Through 08-09-2006",
year = "2007",
month = jan,
day = "1",
doi = "10.4028/www.scientific.net/SSP.129.67",
language = "English",
isbn = "9783908451396",
series = "Solid State Phenomena",
publisher = "Trans Tech Publications Ltd",
pages = "67--74",
editor = "R. Kozubski and G.E. Murch and Pawel Zi{\c e}ba",
booktitle = "Multiscale kinetic Modelling of Materials",
}