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Tungsten is a promising candidate material for plasma-facing armour components in future fusion reactors. A key concern is irradiation-induced degradation of its normally excellent thermal transport properties. In this comprehensive study,…
In this work, we combine Density Functional Theory data with a Thermodynamic and a kinetic model to determine the total concentration of hydrogen implanted in the sub-surface of tungsten exposed to a hydrogen flux. The sub-surface hydrogen…
At temperatures below the onset of vacancy migration, metals exposed to energetic ions develop dynamically fluctuating steady-state microstructures. Statistical properties of these microstructures in the asymptotic high exposure limit are…
The occurrence of high stress concentrations in reactor components is a still intractable phenomenon encountered in fusion reactor design. We observe and quantitatively model a non-linear high-dose radiation mediated microstructure…
Three-dimensional metallic microstructures find applications as stents in medicine, as ultrabroadband antennas in communications, in micromechanical parts or as structures of more fundamental interest in photonics like metamaterials. Direct…
Hafnium hydride is a promising material for next-generation nuclear reactors, particularly as control rods for fast fission and shielding in fusion systems. The material's intrinsic brittleness encourages its use in the form of…
The disruption and runaway electron analysis model code was extended to include tungsten impurities in disruption simulations with the aim of studying the runaway electron (RE) generation. This study investigates RE current sensitivity on…
A multiscale (micro-to-macro) analysis is proposed for the prediction of the finite strain behavior of composites with hyperelastic constituents and embedded localized damage. The composites are assumed to possess periodic microstructure…
Point defects affect material properties by altering electronic states and modifying local bonding environments. However, high-throughput first-principles simulations of point defects are costly due to large simulation cells and complex…
In this work, we develop a differentiable rendering pipeline for visualising plasma emission within tokamaks, and estimating the gradients of the emission and estimating other physical quantities. Unlike prior work, we are able to leverage…
The simulation of high-rate deformation and failure of metals is has traditionally been performed using Lagrangian finite element methods or Eulerian hydrocodes. Lagrangian mesh-based methods are limited by issues involving mesh…
We have performed time-dependent density functional theory simulations for the neutralization process of a hydrogen ion injected at 100eV onto the (110) surface of tungsten material. We have also proposed a method for evaluating the…
Combining spatially resolved X-ray Laue diffraction with atomic-scale simulations, we observe how ion-irradiated tungsten undergoes a series of non-linear structural transformations with increasing irradiation exposure. Nanoscale…
Raman microscopy is one of the methods that could be used for future post-mortem analyses of samples extracted from ITER plasma facing. This study shows that this technique is useful for studying tungsten-based materials containing…
Machine-learning methods are nowadays of common use in the field of material science. For example, they can aid in optimizing the physicochemical properties of new materials, or help in the characterization of highly complex chemical…
We recast the Howie-Whelan equations for generating simulated transmission electron microscope (TEM) images, replacing the dependence on local atomic displacements with atomic positions only. This allows very rapid computation of simulated…
Most research on the simulation of deformation and failure of metals has been and continues to be performed using the finite element method. However, the issues of mesh entanglement under large deformation, considerable complexity in…
Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing…
Tungsten is an important element for magnetically confined fusion plasmas but has the potential to cool, or even quench the plasma due to it being an efficient radiator. Total and level-resolved dielectronic recombination (DR) rate…
Silicon carbide (SiC) has long been a subject of study for its application in harsh environments. Existing empirical interatomic potentials for 3C-SiC show significant discrepancies in predicting the properties that are crucial in…