@inproceedings{4d541fbe640e4235bde02958756cd6da,
title = "Orientation of interstitials in clusters in α-Fe: A comparison between empirical potentials",
abstract = "We have addressed two issues concerning the relative stabilities of various orientations of interstitial clusters in iron by making a comprehensive comparison between four recent empirical potentials. First, we have investigated the effect of finite temperature on the competition between clusters made of a few dumbbells oriented along (111) or (110). We show by quasi-harmonic calculations that (111) clusters have much larger vibrational formation entropies and that they are therefore stabilized with respect to (110) clusters at high temperature. Second, we have compared the formation energies of loops with several hundred atoms with Burgers vector 5(111) or (100). The 1/2(111) loops are found to be always more stable, but the energy differences with (100) loops depend strongly on the potential.",
keywords = "Dislocation loop, Empirical potential, Formation entropy, Interstitials, Iron",
author = "Marinica, \{Mihai Cosmin\} and F. Willaime",
year = "2007",
month = jan,
day = "1",
doi = "10.4028/3-908451-39-6.67",
language = "English",
isbn = "9783908451396",
series = "Solid State Phenomena",
publisher = "Trans Tech Publications Ltd",
pages = "67--74",
booktitle = "Multiscale Kinetic Modelling of Materials - Proceedings of the Symposium {"}Multiscale Kinetic Modelling of Materials{"} organised within the EMRS Fall Meeting 2006",
note = "Symposium {"}Multiscale Kinetic Modelling of Materials{"}, EMRS Fall Meeting 2006 ; Conference date: 04-09-2006 Through 08-09-2006",
}