Influence of HCP/BCC interface orientation on the tribological behavior of Zr/Nb multilayer during nanoscratch: A combined experimental and atomistic study

AT AlMotasem, N Daghbouj, HS Sen, S Mirzaei… - Acta Materialia, 2023 - Elsevier
Zr/Nb 6 multilayers of 6 nm periodicity, with well-composition-modulated structures, were
prepared by magnetron sputtering. Their microstructure and scratch properties were …

Revealing nanoscale strain mechanisms in ion-irradiated multilayers

N Daghbouj, HS Sen, M Callisti, M Vronka, M Karlik… - Acta Materialia, 2022 - Elsevier
Tailoring interfaces is a powerful way of reducing the accumulation of radiation defects.
Understanding strain evolution induced by ion bombardment in nuclear materials with high …

Corrosion performance and mechanical properties of FeCrSiNb amorphous equiatomic HEA thin film

W Muftah, J Allport, V Vishnyakov - Surface and Coatings Technology, 2021 - Elsevier
A quaternary amorphous equiatomic FeCrSiNb HEA thin film was synthesised and
characterised with the view for applications in demanding environments. The film was …

Development of machine learning and empirical interatomic potentials for the binary Zr-Sn system

H Mei, L Chen, F Wang, G Liu, J Hu, W Lin… - Journal of Nuclear …, 2024 - Elsevier
Zirconium alloys are pivotal structural materials in nuclear reactors. Enhancing their
properties and performance necessitates a profound understanding of the interactions …

Diffuse scattering from dynamically compressed single-crystal zirconium following the pressure-induced phase transition

PG Heighway, S Singh, MG Gorman, D McGonegle… - Physical Review B, 2024 - APS
The prototypical α→ ω phase transition in zirconium is an ideal test bed for our
understanding of polymorphism under extreme loading conditions. After half a century of …

Transferability of Zr-Zr interatomic potentials

OG Nicholls, DG Frost, V Tuli, J Smutna… - Journal of Nuclear …, 2023 - Elsevier
Tens of Zr inter-atomic potentials (force fields) have been developed to enable atomic-scale
simulations of Zr alloys. These can provide critical insight in the in-reactor behaviour of …

Optimized interatomic potential for atomistic simulation of Zr-Nb alloy

S Starikov, D Smirnova - Computational Materials Science, 2021 - Elsevier
We present a new classical interatomic potential for a study of the binary Zr-Nb system,
taking into account a wide range of the components concentrations. The potential was …

Effects of temperature and alloying content on the phase transformation and {101¯ 1} twinning in Zr during rolling

X An, H Zhang, S Ni, X Ou, X Liao, M Song - Journal of Materials Science & …, 2020 - Elsevier
The effects of temperature and Ti content on the deformation mechanisms of pure Zr and Zr-
Ti alloys were investigated by transmission electron microscopy. The results indicate the …

Structural, mechanical and rheological characterization of zrnb metallic glasses using atomistic simulations

N Amigo, FJ Valencia - Journal of Non-Crystalline Solids, 2024 - Elsevier
This study investigates the structural, mechanical, and rheological properties of ZrNb
metallic glasses using molecular dynamics simulations. The glass transition temperature …

Transformation-and twinning-induced plasticity in phase-separated bcc Nb-Zr alloys: an atomistic study

MM Hasan, SG Srinivasan, D Choudhuri - Journal of Materials Science, 2024 - Springer
Several high-temperature body-centered cubic (bcc) structural materials such as Nb-, Zr-and
Ti-based alloys undergo phase separation, which is a second-order phase transformation …