ABINIT: Overview and focus on selected capabilities

AH Romero, DC Allan, B Amadon, G Antonius… - The Journal of …, 2020 - pubs.aip.org
ABSTRACT ABINIT is probably the first electronic-structure package to have been released
under an open-source license about 20 years ago. It implements density functional theory …

Recent developments in the ABINIT software package

X Gonze, F Jollet, FA Araujo, D Adams… - Computer physics …, 2016 - Elsevier
ABINIT is a package whose main program allows one to find the total energy, charge
density, electronic structure and many other properties of systems made of electrons and …

Recent progress in the development of SiC composites for nuclear fusion applications

T Koyanagi, Y Katoh, T Nozawa, LL Snead… - Journal of Nuclear …, 2018 - Elsevier
Silicon carbide (SiC) fiber reinforced SiC matrix composites continue to undergo
development for fusion applications worldwide because of inherent advantages of the …

[图书][B] Physical methods for materials characterisation

PEJ Flewitt, RK Wild - 2017 - taylorfrancis.com
This completely revised and expanded new edition covers the full range of techniques now
available for the investigation of materials structure and accurate quantitative determination …

Gradient defects mediate negative thermal quenching in phosphors

M Deng, X Cao, Y Tang, Z Zhou, L Liu… - Advanced …, 2023 - spiedigitallibrary.org
Luminescent materials often suffer from thermal quenching (TQ), limiting the continuation of
their applications under high temperatures up to 473 K. The formation of defect levels could …

Modified deformation behaviour of self-ion irradiated tungsten: A combined nano-indentation, HR-EBSD and crystal plasticity study

S Das, H Yu, K Mizohata, E Tarleton… - International Journal of …, 2020 - Elsevier
Predicting the dramatic changes in mechanical and physical properties caused by
irradiation damage is key for the design of future nuclear fission and fusion reactors. Self-ion …

Investigation of the formation of defects under fast neutrons and gamma irradiation in 3C–SiC nano powder

MN Mirzayev, BA Abdurakhimov, E Demir… - Physica B: Condensed …, 2021 - Elsevier
In this work cubic phase, silicon carbide nano-powders were irradiated at the high-flux
pulsed reactor IBR–2 (Dubna, Russia). The 3C–SiC powder was irradiated with neutron …

Advanced techniques for characterization of ion beam modified materials

Y Zhang, A Debelle, A Boulle, P Kluth… - Current Opinion in Solid …, 2015 - Elsevier
Understanding the mechanisms of damage formation in materials irradiated with energetic
ions is essential for the field of ion-beam materials modification and engineering. Utilizing …

Intense ionizing irradiation-induced atomic movement toward recrystallization in 4H-SiC

A Chakravorty, B Singh, H Jatav, S Ojha… - Journal of Applied …, 2020 - pubs.aip.org
An ultrafast thermal spike within a time interval of a few pico-seconds generated by intense
ionizing energy deposited using 100 MeV Ag ions is utilized to study the atomistic details of …

Quantification of irradiation defects in beta-silicon carbide using Raman spectroscopy

T Koyanagi, MJ Lance, Y Katoh - Scripta Materialia, 2016 - Elsevier
Raman spectra from polycrystalline beta-silicon carbide (SiC) were collected following
neutron irradiation at 380–1180° C to 0.011–1.87 displacement per atom. The longitudinal …