Influence of HCP/BCC interface orientation on the tribological behavior of Zr/Nb multilayer during nanoscratch: A combined experimental and atomistic study
Zr/Nb 6 multilayers of 6 nm periodicity, with well-composition-modulated structures, were
prepared by magnetron sputtering. Their microstructure and scratch properties were …
prepared by magnetron sputtering. Their microstructure and scratch properties were …
Revealing nanoscale strain mechanisms in ion-irradiated multilayers
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 …
Understanding strain evolution induced by ion bombardment in nuclear materials with high …
Corrosion performance and mechanical properties of FeCrSiNb amorphous equiatomic HEA thin film
A quaternary amorphous equiatomic FeCrSiNb HEA thin film was synthesised and
characterised with the view for applications in demanding environments. The film was …
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
Zirconium alloys are pivotal structural materials in nuclear reactors. Enhancing their
properties and performance necessitates a profound understanding of the interactions …
properties and performance necessitates a profound understanding of the interactions …
Diffuse scattering from dynamically compressed single-crystal zirconium following the pressure-induced phase transition
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 …
understanding of polymorphism under extreme loading conditions. After half a century of …
Transferability of Zr-Zr interatomic potentials
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 …
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
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 …
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
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 …
Ti alloys were investigated by transmission electron microscopy. The results indicate the …
Structural, mechanical and rheological characterization of zrnb metallic glasses using atomistic simulations
This study investigates the structural, mechanical, and rheological properties of ZrNb
metallic glasses using molecular dynamics simulations. The glass transition temperature …
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
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 …
Ti-based alloys undergo phase separation, which is a second-order phase transformation …