Perspectives on multiscale modelling and experiments to accelerate materials development for fusion

MR Gilbert, K Arakawa, Z Bergstrom, MJ Caturla… - Journal of Nuclear …, 2021 - Elsevier
Prediction of material performance in fusion reactor environments relies on computational
modelling, and will continue to do so until the first generation of fusion power plants come on …

Observation of transient and asymptotic driven structural states of tungsten exposed to radiation

DR Mason, S Das, PM Derlet, SL Dudarev… - Physical Review Letters, 2020 - APS
Combining spatially resolved x-ray Laue diffraction with atomic-scale simulations, we
observe how ion-irradiated tungsten undergoes a series of nonlinear structural …

Bragg Coherent Diffraction Imaging for In Situ Studies in Electrocatalysis

RA Vicente, IT Neckel, SKRS Sankaranarayanan… - ACS …, 2021 - ACS Publications
Electrocatalysis is at the heart of a broad range of physicochemical applications that play an
important role in the present and future of a sustainable economy. Among the myriad of …

Multiscale analysis of dislocation loops and voids in tungsten

PW Ma, DR Mason, SL Dudarev - Physical Review Materials, 2020 - APS
We performed ab initio density functional theory simulations of 1 2〈 111〉 interstitial
dislocation loops, closed and open vacancy loops,〈 100〉 interstitial loops, and voids in …

Interface-driven strain in heavy ion-irradiated Zr/Nb nanoscale metallic multilayers: validation of distortion modeling via local strain map**

HS Sen, N Daghbouj, M Callisti, M Vronka… - … Applied Materials & …, 2022 - ACS Publications
Nanolayered metallic alloys are promising materials for nuclear applications thanks to their
resistance to radiation damage. Here, we investigate the effect of ion (C, Si, and Cu) …

Nitrogen ion implantation-modified Cu substrate for stable lithium metal anode

M Sun, K Huang, X Lv, G Ai, F Gao, C Lai… - … Applied Materials & …, 2023 - ACS Publications
As the only commercialized negative current collector, copper (Cu) foil possesses
insurmountable applicational advantages as a lithium metal anode (LMA) substrate …

Three-dimensional strain dynamics govern the hysteresis in heterogeneous catalysis

AR Passos, A Rochet, LM Manente, AF Suzana… - Nature …, 2020 - nature.com
Understanding catalysts strain dynamic behaviours is crucial for the development of cost-
effective, efficient, stable and long-lasting catalysts. Here, we reveal in situ three …

[HTML][HTML] Radiation damage evolution in High Entropy Alloys (HEAs) caused by 3–5 MeV Au and 5 MeV Cu ions in a broad range of dpa in connection to mechanical …

A Mackova, V Havránek, R Mikšová… - Nuclear Materials and …, 2023 - Elsevier
Abstract High Entropy Alloys (HEAs) are prospective materials for nuclear fusion reactors
and were irradiated in this study at a broad range of energetic ion fluences. Different ion …

Bragg coherent diffractive imaging for defects analysis: Principles, applications, and challenges

Y Sun, A Singer - Chemical Physics Reviews, 2024 - pubs.aip.org
The ability to visualize crystalline defects and lattice distortions at the nanoscale holds
profound implications for enhancing material properties and optimizing their design. Bragg …

Revealing nano-scale lattice distortions in implanted material with 3D Bragg ptychography

P Li, NW Phillips, S Leake, M Allain, F Hofmann… - Nature …, 2021 - nature.com
Small ion-irradiation-induced defects can dramatically alter material properties and speed
up degradation. Unfortunately, most of the defects irradiation creates are below the visibility …