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 …

First-principles DFT modeling of nuclear fuel materials

XY Liu, DA Andersson, BP Uberuaga - Journal of Materials Science, 2012 - Springer
We review the state of first-principles density functional theory (DFT) modeling of nuclear
fuel materials. DFT-based first-principles modeling has emerged as a quantitatively rigorous …

Improved high temperature radiation damage tolerance in a three-phase ceramic with heterointerfaces

KK Ohtaki, MK Patel, ML Crespillo, KK Karandikar… - Scientific reports, 2018 - nature.com
Radiation damage tolerance for a variety of ceramics at high temperatures depends on the
material's resistance to nucleation and growth of extended defects. Such processes are …

The role of surfaces, chemical interfaces, and disorder on plutonium incorporation in pyrochlores

R Perriot, PP Dholabhai, BP Uberuaga - Physical Chemistry Chemical …, 2016 - pubs.rsc.org
Pyrochlores, a class of complex oxides with formula A2B2O7, are one of the candidates for
nuclear waste encapsulation, due to the natural occurrence of actinide-bearing pyrochlore …

A novel reduction–oxidation synthetic route for hafnia

B Matovic, J Pantic, J Lukovic, M Cebela… - Ceramics …, 2016 - Elsevier
Amorphous hafnia (HfO 2) powders were synthesized through a novel reduction–oxidation
route, in which, metal hafnium was reduced from hafnium tetrachloride (HfCl 4) by sodium …

Defect interactions with stepped CeO2/SrTiO3 interfaces: Implications for radiation damage evolution and fast ion conduction

PP Dholabhai, JA Aguiar, A Misra… - The Journal of chemical …, 2014 - pubs.aip.org
Due to reduced dimensions and increased interfacial content, nanocomposite oxides offer
improved functionalities in a wide variety of advanced technological applications, including …

Synthesis and characterization of nanometric yttrium-doped hafnia solid solutions

B Matović, D Bučevac, M Prekajski… - Journal of the European …, 2012 - Elsevier
Nanometric-sized yttrium doped HfO2 powders were obtained by applying metathesis and
combustion reactions. The tailored composition of solid solutions was: Hf1− xYxO2− δ with …

Radiation damage in multiphase ceramics

D Men, MK Patel, IO Usov, M Toiammou… - Journal of nuclear …, 2013 - Elsevier
Four-phase ceramic composites containing 3 mol% Y 2 O 3 stabilized ZrO 2 (3Y-TZP), Al 2 O
3, MgAl 2 O 4, and LaPO 4 were synthesized as model materials representing inert matrix …

Thermal measurements and computational simulations of three-phase (CeO2–MgAl2O4–CeMgAl11O19) and four-phase (3Y-TZP–Al2O3–MgAl2O4–LaPO4) …

JP Angle, AT Nelson, D Men, ML Mecartney - Journal of Nuclear Materials, 2014 - Elsevier
This study investigates the temperature dependent thermal conductivity of multiphase
ceramic composites for simulated inert matrix nuclear fuel. Fine grained composites were …

Orientation-specific amorphization and intercalated recrystallization at ion-irradiated SrTiO3/MgO interfaces

JA Aguiar, M Zhuo, Z Bi, E Fu, Y Wang… - Journal of Materials …, 2014 - cambridge.org
Oxide composites are a class of materials with potential uses for nuclear, space, and coating
applications. Exploiting their promise, however, requires a detailed understanding of their …