Defect-interface interactions

IJ Beyerlein, MJ Demkowicz, A Misra… - Progress in Materials …, 2015 - Elsevier
Nanostructured materials contain an extremely high density of interfaces. The properties of
these materials when exposed to extreme conditions of radiation dose, stress, deformation …

Fusion materials science: Overview of challenges and recent progress

SJ Zinkle - Physics of Plasmas, 2005 - pubs.aip.org
A brief review is given of fundamental materials science concepts important for development
of structural materials for fusion energy systems. Particular attention is placed on …

Introduction to the kinetic Monte Carlo method

AF Voter - Radiation effects in solids, 2007 - Springer
Monte Carlo refers to a broad class of algorithms that solve problems through the use of
random numbers. They first emerged in the late 1940's and 1950's as electronic computers …

Radiation-induced amorphization resistance and radiation tolerance in structurally related oxides

KE Sickafus, RW Grimes, JA Valdez, A Cleave… - Nature materials, 2007 - nature.com
Ceramics destined for use in hostile environments such as nuclear reactors or waste
immobilization must be highly durable and especially resistant to radiation damage effects …

The relationship between grain boundary structure, defect mobility and grain boundary sink efficiency

BP Uberuaga, LJ Vernon, E Martinez, AF Voter - Scientific reports, 2015 - nature.com
Nanocrystalline materials have received great attention due to their potential for improved
functionality and have been proposed for extreme environments where the interfaces are …

Correlation between MgAl2O4-spinel structure, processing factors and functional properties of transparent parts (progress review)

A Goldstein - Journal of the European Ceramic Society, 2012 - Elsevier
Efforts were and are made to develop performant fabrication technologies, for transparent
polycrystalline spinel–a material used for armor, infrared windows and other products …

Electronic stopping power in LiF from first principles

JM Pruneda, D Sánchez-Portal, A Arnau, JI Juaristi… - Physical review …, 2007 - APS
Using time-dependent density-functional theory we calculate from first principles the rate of
energy transfer from a moving proton or antiproton to the electrons of an insulating material …

Novel approaches to multiscale modelling in materials science

JA Elliott - International Materials Reviews, 2011 - Taylor & Francis
Computational modelling techniques are now widely employed in materials science, due to
recent advances in computing power and simulation methodologies, since they can enable …

Accelerated molecular dynamics methods: introduction and recent developments

D Perez, BP Uberuaga, Y Shim, JG Amar… - Annual Reports in …, 2009 - Elsevier
Because of its unrivaled predictive power, the molecular dynamics (MD) method is widely
used in theoretical chemistry, physics, biology, materials science, and engineering …

Investigating the formation mechanism of void lattice in tungsten under neutron irradiation: from collision cascades to ordered nanovoids

ZZ Li, YH Li, D Terentyev, N Castin, A Bakaev, G Bonny… - Acta Materialia, 2021 - Elsevier
The “void lattice” formed by periodic arrangements of voids, usually replicating the symmetry
and crystallographic orientation of the host matrix, is an interesting phenomenon in materials …