[HTML][HTML] Frontiers, challenges, and solutions in modeling of swift heavy ion effects in materials

N Medvedev, AE Volkov, R Rymzhanov… - Journal of Applied …, 2023 - pubs.aip.org
Since a few breakthroughs in the fundamental understanding of the effects of swift heavy
ions (SHIs) decelerating in the electronic stop** regime in the matter have been achieved …

Positron annihilation spectroscopic study of intrinsic and ion-irradiation induced vacancy defects in Zr-containing ODS steels with and without Al

S Mohan, R Ramachandran, C David… - Journal of Alloys and …, 2022 - Elsevier
The oxide dispersion strengthened (ODS) ferritic steels containing Zr are synthesized with
and without Al addition and found to possess homogeneous distribution of nanoprecipitates …

Evolution of oxide nanoparticles during thermomechanical processing and its influence on mechanical properties of a 12Cr ODS alloy

H Ma, J Li, Y Wang, J Wang, S Liu, L **ong - Journal of Materials Science & …, 2025 - Elsevier
Abstract A Fe-12Cr-2W-0.2 Zr-0.1 Ti-0.35 Y 2 O 3 ODS ferritic alloy was prepared by ball
milling, hot isostatic pressing (HIP) and thermomechanical processing herein. The evolution …

Response of crystalline Ge₂Sb₂Te₅ phase-change memory material to low-energy neutron irradiation: An experimental and AIMD simulation study

Z Ali, F Liu, Y Wang, HG Rasool, F Wang, T Li - Vacuum, 2025 - Elsevier
Abstract Ge₂Sb₂Te₅ (GST) phase-change materials are crucial for memory and data
storage technologies, especially in harsh radiation conditions; yet, their response to …

[PDF][PDF] Threshold Displacement Energies in Lead Halide Perovskites from Ab Initio Molecular Dynamics Simulations

RB Martinez Duque, AR Kirmani, IR Sellers… - PRX Energy, 2025 - APS
Predicting radiation damage to materials requires estimating the threshold displacement
energy (E d). We calculate E d using ab initio molecular dynamics for the lead halide …

Correlation between anion related defects and ion beam induced luminescence in Y4Zr3O12

S Mohan, G Kaur, SK Srivastava… - Applied Physics …, 2021 - pubs.aip.org
Potential applications of Y 4 Zr 3 O 12 as radiation waste containment and reinforcements of
Zr/Al ODS alloys vest on its irradiation stability. Fundamental studies to identify the type of …

Effect of radiation and substitution of Ce4+ at Zr site in Y4Zr3O12 using collision cascades: a molecular dynamics simulation study

M Ado, Q Wang, SA Ibrahim… - Journal of Nuclear Science …, 2023 - Taylor & Francis
This study employed classical molecular dynamics (MD) simulations to investigate radiation
damage and Cerium (Ce4+) incorporation as surrogate of plutonium (Pu) at Zirconium …

Unravelling the effect of alkali cations and halide anions on the de-hydrogenation properties of ammine zinc borohydrides

P Hajiyev, V Iosub, M Bardet, S Pouget… - International Journal of …, 2022 - Elsevier
This work sheds light on the role of the alkali cations, halide anion substitution as well as
borohydride anion vacancies on the de-hydrogenation properties of ammine zinc …

Molecular dynamics simulation study of the effect of Ce4+ incorporation at Zr site on the threshold displacement energy in Y4Zr3O12 material

M Ado, Q Wang, SA Ibrahim, SO Adede… - Journal of Nuclear …, 2024 - Taylor & Francis
This study utilizes classical molecular dynamics (MD) simulations to examine the structure
and the impact of cerium (Ce4+) incorporation, serving as a surrogate for plutonium (Pu), at …

[HTML][HTML] Atomic Insights into the Structural Properties and Displacement Cascades in Ytterbium Titanate Pyrochlore (Yb2Ti2O7) and High-Entropy Pyrochlores

MM Azeem, Q Wang - Journal of Composites Science, 2023 - mdpi.com
Pyrochlore oxides (A 2 B 2 O 7) are potential nuclear waste substrate materials due to their
superior radiation resistance properties. We performed molecular dynamics simulations to …