Now showing items 1-3 of 3

• #### Comparison of empirical interatomic potentials for iron applied to radiation damage studies ﻿

(2010)
Article
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The performance of four recent semi-empirical interatomic potentials for iron, developed or used within the FP6 Perfect Project, is evaluated by comparing them between themselves and with available experimental or, more ...
• #### Interaction of carbon with vacancy and self-interstitial atom clusters in alpha-iron studied using metallic-covalent interatomic potential ﻿

(2011-01-31)
Article
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The presence of even small amount of carbon interstitial impurity affects properties of Fe and Fe-based ferritic alloys. From earlier experiments it follows that carbon exhibits considerably strong interaction with lattice ...
• #### Structure and strength of (1 1 0) tilt grain boundaries in bcc Fe: an atomistic study ﻿

(2010-08)
Article
Restricted access - publisher's policy
In this work we study a set of $\left<{1\:1\:0}\right>$ tilt grain boundaries (GB) with a misorientation angle varied from 26º to 141º by applying atomistic calculations in α-Fe. A set of different interatomic potentials ...