Defect energy calculations of nickel, copper and aluminium (and their alloys): molecular dynamics approach

S Chaturvedi, A Verma, SK Sethi, S Ogata - Forcefields for atomistic-scale …, 2022 - Springer
Stacking faults are defined as regions present in the crystal where the normal sequence of
stacking is disturbed. This takes place around a localized area. These defects come under …

Rearrangement of interstitial defects in alpha-Fe under extreme condition

A Chartier, MC Marinica - Acta Materialia, 2019 - Elsevier
In this study, by theoretical means, we reveal the main mechanisms that underpin the
microstructure evolution driven by the formation of self-interstitial atoms (SIAs) clusters in …

A review of solute-point defect interactions in vanadium and its alloys: first-principles modeling and simulation

PB Zhang, JJ Zhao, TT Zou, RH Li, PF Zheng, JM Chen - Tungsten, 2021 - Springer
Vanadium alloys are the promising first wall and blanket materials for fusion reactors. Large
amounts of helium (He) and hydrogen (H) impurities are produced inside the materials …

European materials development: Results and perspective

G Pintsuk, E Diegele, SL Dudarev, M Gorley… - Fusion Engineering and …, 2019 - Elsevier
This paper addresses the EUROfusion DEMO materials research program and highlights
the characterization of the in-vessel baseline materials EUROFER97, CuCrZr and tungsten …

Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni

Y Gong, B Grabowski, A Glensk, F Körmann… - Physical Review B, 2018 - APS
Quantum-mechanical calculations are used to determine the temperature dependence of
the Gibbs energy of vacancy formation in nickel. Existing data reveal a discrepancy between …

Thermodynamics of vacancies and clusters in high-entropy alloys

Z Wang, CT Liu, P Dou - Physical Review Materials, 2017 - APS
By means of thermodynamic analyses, we provide the intriguing evidence that the
equilibrium vacancy concentrations and their clusters in high entropy alloys (HEAs) are …

[PDF][PDF] 1.18-Radiation-induced segregation

M Nastar, F Soisson - Comprehensive nuclear materials, 2012 - researchgate.net
Irradiation creates excess point defects in materials (vacancies and self-interstitial atoms),
which can be eliminated by mutual recombination, clustering, or annihilation of preexisting …

Effect of chromium on void swelling in ion irradiated high purity Fe–Cr alloys

A Bhattacharya, E Meslin, J Henry, A Barbu… - Acta Materialia, 2016 - Elsevier
The concentration of chromium (Cr) plays an important role on the radiation induced
microstructure of the binary Fe–Cr alloys, in particular on the formation of cavities leading to …

A first-principles model for anomalous segregation in dilute ternary tungsten-rhenium-vacancy alloys

JS Wróbel, D Nguyen-Manh… - Journal of Physics …, 2017 - iopscience.iop.org
The occurrence of segregation in dilute alloys under irradiation is a highly unusual
phenomenon that has recently attracted attention, stimulated by the interest in the …

A synergy of different corrosion failure modes pertaining to T91 steel impacted by extreme lead–bismuth eutectic flow pattern

C Li, X Fang, Q Wang, M Shen, H Wang, X Zeng, Y Liu… - Corrosion …, 2021 - Elsevier
This paper reports an attempt to speculate about corrosion resistance of T91 steel to
extreme lead–bismuth eutectic (LBE) flow pattern. We build a modified dynamic corrosion …