Now showing items 1-8 of 8

• #### {111} tilt grain boundaries as barriers for slip transfer in bcc Fe ﻿

(2022-02)
Article
Restricted access - publisher's policy
We have studied the interaction of an individual dislocation and a pile-up of dislocations with {111} tilt grain boundary in iron by means of atomistic simulations. The {111} tilt grain boundary, under externally applied ...
• #### Comparison of empirical interatomic potentials for iron applied to radiation damage studies ﻿

(2010)
Article
Restricted access - publisher's policy
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 ...
• #### Grain boundary mediated plasticity: the role of grain boundary atomic structure and thermal activation ﻿

(2018-03)
Article
Open Access
The interaction of dislocation pile-ups with several tilt grain boundaries (GB) is studied in copper by using a hybrid continuum-atomistic approach. The effects of temperature, pile-up intensity and GB structure on absorption ...
• #### Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations ﻿

(American Physical Society (APS), 2021-01)
Article
Open Access
The sustainability and capacity of macroscopic deformation by polycrystalline metals and metallic alloys is controlled by the propagation of dislocation-mediated slip through grains. In this paper, the interaction of a ...
• #### Interaction of carbon with vacancy and self-interstitial atom clusters in alpha-iron studied using metallic-covalent interatomic potential ﻿

(2011-01-31)
Article
Restricted access - publisher's policy
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 ...
• #### Interaction of He and He-V clusters with self-interstitials and dislocations defects in bcc Fe ﻿

(2015-03-01)
Article
Open Access
The understanding of helium effects in synergy with radiation damage is crucial for the development of structural steels for fusion applications. Recent investigations in ultra-pure iron, taken as a basic model, have shown ...
• #### 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 ...
• #### The role of nickel in radiation damage of ferritic alloys ﻿

(2015-02-01)
Article
Open Access
According to modern theory, damage evolution under neutron irradiation depends on the fraction of self-interstitial atoms (SIAs) produced in the form of one-dimensional glissile clusters. These clusters, having a low ...