The effects of cation–anion clustering on defect migration in MgAl2O4-Reference-Cited by-同舟云学术

The effects of cation–anion clustering on defect migration in MgAl2O4

Published:2016 Issue:29 Volume:18 Page:19647-19654
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zamora Richard J.¹²³⁴,Voter Arthur F.¹²³⁴,Perez Danny¹²³⁴,Perriot Romain¹⁵³⁴,Uberuaga Blas P.¹⁵³⁴

Affiliation:

1. Los Alamos National Laboratory

2. Theoretical Division

3. Los Alamos

4. USA

5. Materials Science and Technology Division

Abstract

Magnesium aluminate spinel offers a range of exciting technological applications. We use accelerated molecular dynamics to illuminate new details about the kinetics of relevant lattice defects.

Funder

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP03931F

Reference22 articles.

1. Materials research on inert matrices: a screening study

2. Heavy ion induced damage in MgAl2O4, an inert matrix candidate for the transmutation of minor actinides

3. R. Castelli , Nuclear Corrosion Modeling: The Nature of CRUD, Elsevier Science, 2009

4. An extended hardness limit in bulk nanoceramics

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