Primary radiation damage: A review of current understanding and models
Scientific understanding of any kind of radiation effects starts from the primary damage, ie
the defects that are produced right after an initial atomic displacement event initiated by a …
the defects that are produced right after an initial atomic displacement event initiated by a …
Accelerated molecular dynamics methods: introduction and recent developments
Because of its unrivaled predictive power, the molecular dynamics (MD) method is widely
used in theoretical chemistry, physics, biology, materials science, and engineering …
used in theoretical chemistry, physics, biology, materials science, and engineering …
A fast and robust algorithm for Bader decomposition of charge density
An algorithm is presented for carrying out decomposition of electronic charge density into
atomic contributions. As suggested by Bader [R. Bader, Atoms in Molecules: A Quantum …
atomic contributions. As suggested by Bader [R. Bader, Atoms in Molecules: A Quantum …
The relationship between grain boundary structure, defect mobility and grain boundary sink efficiency
Nanocrystalline materials have received great attention due to their potential for improved
functionality and have been proposed for extreme environments where the interfaces are …
functionality and have been proposed for extreme environments where the interfaces are …
Distinctive features of diffusion-controlled radiation defect recombination in stoichiometric magnesium aluminate spinel single crystals and transparent polycrystalline …
A Lushchik, E Feldbach, EA Kotomin, I Kudryavtseva… - Scientific reports, 2020 - nature.com
MgAl2O4 spinel is important optical material for harsh radiation environment and other
important applications. The kinetics of thermal annealing of the basic electron (F, F+) and …
important applications. The kinetics of thermal annealing of the basic electron (F, F+) and …
Radiation tolerance of nanocrystalline ceramics: insights from yttria stabilized zirconia
Materials for applications in hostile environments, such as nuclear reactors or radioactive
waste immobilization, require extremely high resistance to radiation damage, such as …
waste immobilization, require extremely high resistance to radiation damage, such as …
Radiation tolerance in a nanostructure: Is smaller better?
TD Shen - Nuclear Instruments and Methods in Physics Research …, 2008 - Elsevier
While previous experimental studies suggest that the presence of nanostructure is
detrimental to the phase-transition resistance under an irradiation environment, we have …
detrimental to the phase-transition resistance under an irradiation environment, we have …
The parallel replica dynamics method–Coming of age
Molecular dynamics (MD)–the numerical integration of atomistic equations of motion–is a
workhorse of computational materials science. Indeed, MD can in principle be used to obtain …
workhorse of computational materials science. Indeed, MD can in principle be used to obtain …
Intrinsic Conductivity in Magnesium–Oxygen Battery Discharge Products: MgO and MgO2
JG Smith, J Naruse, H Hiramatsu… - Chemistry of …, 2017 - ACS Publications
Nonaqueous magnesium–oxygen (or “Mg-air”) batteries are attractive next generation
energy storage devices due to their high theoretical energy densities, projected low cost …
energy storage devices due to their high theoretical energy densities, projected low cost …
Primary Radiation Damage in Materials. Review of Current Understanding and Proposed New Standard Displacement Damage Model to Incorporate in Cascade …
Executive summary One of the consequences of the interaction of high energy particles
(photons, neutrons, ions or electrons) with crystalline materials is the formation of lattice …
(photons, neutrons, ions or electrons) with crystalline materials is the formation of lattice …