A review of modelling and simulation of hydrogen behaviour in tungsten at different scales
GH Lu, HB Zhou, CS Becquart - Nuclear Fusion, 2014 - iopscience.iop.org
Tungsten (W) is considered to be one of the most promising plasma-facing materials (PFMs)
for next-step fusion energy systems. However, as a PFM, W will be subjected to extremely …
for next-step fusion energy systems. However, as a PFM, W will be subjected to extremely …
Interplay between hydrogen and vacancies in -Fe
We present an atomistic study of the behavior and interactions of hydrogen and vacancies in
body centered cubic (bcc) iron, using both ab initio and classical molecular dynamics …
body centered cubic (bcc) iron, using both ab initio and classical molecular dynamics …
Diffusion, permeation and solubility of hydrogen, deuterium and tritium in crystalline tungsten: First principles DFT simulations
A Boda, MA Sk, KT Shenoy, S Mohan - International Journal of Hydrogen …, 2020 - Elsevier
Tungsten (W) has shown promise to be the most favored plasma facing material in nuclear
fusion with deuterium (D) and tritium (T) as fuel. In order to identify a better material …
fusion with deuterium (D) and tritium (T) as fuel. In order to identify a better material …
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 …
K and 600 K are performed using an evolution of the MHIMS (migration of hydrogen …
Hydrogen and oxygen on tungsten (110) surface: adsorption, absorption and desorption investigated by density functional theory
In this work we investigated the adsorption of oxygen and the co-adsorption of oxygen and
hydrogen on the (110) surface of tungsten by means of Density Functional calculations. The …
hydrogen on the (110) surface of tungsten by means of Density Functional calculations. The …
Trapping of hydrogen and helium at dislocations in tungsten: an ab initio study
A Bakaev, P Grigorev, D Terentyev, A Bakaeva… - Nuclear …, 2017 - iopscience.iop.org
The interaction of H or He atoms with a core of edge and screw dislocations (SDs), with
Burgers vector a 0/2$\left\langle {\rm 1}\,{\rm 1}\,{\rm 1}\right\rangle $, is studied by means of …
Burgers vector a 0/2$\left\langle {\rm 1}\,{\rm 1}\,{\rm 1}\right\rangle $, is studied by means of …
New rate equation model to describe the stabilization of displacement damage by hydrogen atoms during ion irradiation in tungsten
M Pečovnik, EA Hodille, T Schwarz-Selinger… - Nuclear …, 2020 - iopscience.iop.org
The effect of deuterium (D) presence on the amount of displacement damage created in
tungsten (W) during high-energy W-ion irradiation is investigated. For this purpose, we have …
tungsten (W) during high-energy W-ion irradiation is investigated. For this purpose, we have …
Saturation of tungsten surfaces with hydrogen: A density functional theory study complemented by low energy ion scattering and direct recoil spectroscopy data
Herein, we investigate the saturation limits of hydrogen on the (110) and (100) surfaces of
tungsten via Density Functional Theory (DFT) and complement our findings with …
tungsten via Density Functional Theory (DFT) and complement our findings with …
Surface coverage dependent mechanisms for the absorption and desorption of hydrogen from the W (1 1 0) and W (1 0 0) surfaces: a density functional theory …
Herein we investigate absorption and desorption of hydrogen in the sub-surface of tungsten
via density functional theory. Both the near-surface diffusion and recombination of a bulk …
via density functional theory. Both the near-surface diffusion and recombination of a bulk …
[HTML][HTML] Atomic-scale investigation of point defects and hydrogen-solute atmospheres on the edge dislocation mobility in alpha iron
In this study, we present atomistic mechanisms of 1/2 [111](1 1 0) edge dislocation
interactions with point defects (hydrogen and vacancies) and hydrogen solute atmospheres …
interactions with point defects (hydrogen and vacancies) and hydrogen solute atmospheres …