Ab initio modeling of dislocation core properties in metals and semiconductors

D Rodney, L Ventelon, E Clouet, L Pizzagalli… - Acta Materialia, 2017 - Elsevier
Dislocation cores, the regions in the immediate vicinity of dislocation lines, control a number
of properties such as dislocation mobility, cross-slip and short-range interactions with other …

Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions

J Marian, CS Becquart, C Domain, SL Dudarev… - Nuclear …, 2017 - iopscience.iop.org
Under the anticipated operating conditions for demonstration magnetic fusion reactors
beyond ITER, structural and plasma-facing materials will be exposed to unprecedented …

Integrated experimental and computational study on the effect of hydrogen in mechanical responses of pure tungsten

Y Oh, S Sung, J Jang, WS Ko, HN Han - Acta Materialia, 2024 - Elsevier
Hydrogen irradiation profoundly changes the microstructure and morphological
characteristics of tungsten, ultimately resulting in the modifications to its mechanical …

Hydrogen induced dislocation core reconstruction in bcc tungsten

YH Li, HB Zhou, F Gao, G Lu, GH Lu, F Liu - Acta Materialia, 2022 - Elsevier
Dislocation, playing a crucial role in the plastic deformation of metals, can be significantly
affected by introducing solute elements. Hydrogen (H) embrittlement is one such example …

Influence of grain boundaries on the radiation-induced defects and hydrogen in nanostructured and coarse-grained tungsten

G Valles, M Panizo-Laiz, C González, I Martin-Bragado… - Acta Materialia, 2017 - Elsevier
We have studied the influence of grain boundaries (GBs) on the radiation-induced defect
evolution and on H retention at 300 K, both experimentally and by computer simulations. For …

Hydrogen trap**, desorption and clustering in heterophase interfaces of W-ZrC alloy

Y Zhang, X Li, Y Xu, Y Lei, Z **e, X Wang, Q Fang… - Acta Materialia, 2023 - Elsevier
Understanding the interaction of hydrogen (H) with defects has been recognized as a central
aspect in hydrogen-induced damages in metals. In this work, the role of coherent and semi …

< le 0 0 1> le< 001> edge dislocation nucleation mechanism of surface blistering in tungsten exposed to deuterium plasma

W Guo, L Ge, Y Yuan, L Cheng, S Wang… - Nuclear …, 2019 - ui.adsabs.harvard.edu
The mechanism of tungsten (W) blistering under deuterium (D) plasma exposure is still
under investigation. To clearly demonstrate the microstructure and nucleation mechanism of …

Experimental determination of the deuterium binding energy with vacancies in tungsten

M Zibrov, S Ryabtsev, Y Gasparyan… - Journal of Nuclear …, 2016 - Elsevier
Deuterium (D) interaction with vacancies in tungsten (W) was studied using thermal
desorption spectroscopy (TDS). In order to obtain a TDS spectrum with a prominent peak …

Multiscale modelling of the interaction of hydrogen with interstitial defects and dislocations in BCC tungsten

A De Backer, DR Mason, C Domain… - Nuclear …, 2017 - iopscience.iop.org
In a fusion tokamak, the plasma of hydrogen isotopes is in contact with tungsten at the
surface of a divertor. In the bulk of the material, the hydrogen concentration profile tends …

Simulations of atomic deuterium exposure in self-damaged tungsten

EA Hodille, A Založnik, S Markelj… - Nuclear …, 2017 - iopscience.iop.org
Simulations of deuterium (D) atom exposure in self-damaged polycrystalline tungsten at 500
K and 600 K are performed using an evolution of the MHIMS (migration of hydrogen …