Works (19)

2019 | journal article

Influence of mass and charge disorder on the phonon thermal conductivity of entropy stabilized oxides determined by molecular dynamics simulations

JOURNAL OF APPLIED PHYSICS, 125(5).

By: M. Lim, Z. Rak, J. Braun, C. Rost, G. Kotsonis, P. Hopkins, J. Maria, D. Brenner

Source: NC State University Libraries
Added: February 25, 2019

2018 | journal article

Evidence for Jahn-Teller compression in the (Mg, Co, Ni, Cu, Zn)O entropy-stabilized oxide: A DFT study

Materials Letters, 217, 300–303.

By: Z. Rak, J. Maria & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2018 | journal article

First-principles investigation of diffusion and defect properties of Fe and Ni in Cr2O3

Journal of Applied Physics, 123(15).

By: Z. Rak & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2017 | journal article

Ab initio investigation of the surface properties of austenitic Fe-Ni-Cr alloys in aqueous environments

Applied Surface Science, 402, 108–113.

By: Z. Rak & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2017 | journal article

Local structure of the MgxNixCoxCuxZnxO(x=0.2) entropy-stabilized oxide: An EXAFS study

Journal of the American Ceramic Society, 100(6), 2732–2738.

By: C. Rost, Z. Rak, D. Brenner & J. Maria

Source: NC State University Libraries
Added: August 6, 2018

2016 | journal article

Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations

Journal of Applied Physics, 120(9).

By: Z. Rak, C. Rost, M. Lim, P. Sarker, C. Toher, S. Curtarolo, J. Maria, D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2016 | journal article

Theoretical assessment of bonaccordite formation in pressurized water reactors

Journal of Nuclear Materials, 474, 62–64.

By: Z. Rak, C. O'Brien, D. Shin, A. Andersson, C. Stanek & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2016 | journal article

Understanding the atomic-level chemistry and structure of oxide deposits on fuel rods in light water nuclear reactors using first principles methods

JOM: the Journal of the Minerals, Metals & Materials Society, 68(11), 2912–2921.

By: Z. Rak, C. O'Brien, D. Brenner, D. Andersson & C. Stanek

Source: NC State University Libraries
Added: August 6, 2018

2015 | journal article

Defect formation in aqueous environment: Theoretical assessment of boron incorporation in nickel ferrite under conditions of an operating pressurized-water nuclear reactor (PWR)

Journal of Nuclear Materials, 461, 350–356.

By: Z. Rak, E. Bucholz & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2015 | journal article

Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb3AuGe2In3

Philosophical Magazine, 95(20), 2167–2174.

By: Z. Rak & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2015 | journal article

A particle assembly/constrained expansion (PACE) model for the formation and structure of porous metal oxide deposits on nuclear fuel rods in pressurized light water reactors

Journal of Nuclear Materials, 457, 209–212.

Source: NC State University Libraries
Added: August 6, 2018

2014 | journal article

Calculated stability and structure of nickel ferrite crystal surfaces in hydrothermal environments

Journal of Physical Chemistry. C, 118(10), 5414–5423.

By: C. O'Brien, Z. Rak & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2014 | journal article

First principles calculations predict stable 50 nm nickel ferrite particles in PWR coolant

Journal of Nuclear Materials, 454(1-3), 77–80.

Source: NC State University Libraries
Added: August 6, 2018

2014 | journal article

First-principles investigation of boron defects in nickel ferrite spinel

Journal of Nuclear Materials, 452(1-3), 446–452.

By: Z. Rak, C. O'Brien & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2014 | journal article

Thermodynamics of thorium substitution in yttrium iron garnet: Comparison of experimental and theoretical results

Journal of Materials Chemistry A, 2(40), 16945–16954.

By: X. Guo, Z. Rak, A. Tavakoli, U. Becker, R. Ewing & A. Navrotsky

Source: NC State University Libraries
Added: August 6, 2018

2014 | journal article

Three new silver uranyl diphosphonates: Structures and properties

Inorganic Chemistry, 53(6), 2787–2796.

By: A. Nelson, Z. Rak, T. Abrecht-Schmitt, U. Becker & R. Ewing

Source: NC State University Libraries
Added: August 6, 2018

2013 | journal article

Electronic structure and thermodynamic stability of uranium-doped yttrium iron garnet

Journal of Physics. Condensed Matter, 25(49).

By: Z. Rak, R. Ewing & U. Becker

Source: NC State University Libraries
Added: August 6, 2018

2013 | journal article

Ferric garnet matrices for immobilization of actinides

Journal of Nuclear Materials, 436(1-3), 1–7.

By: Z. Rak, R. Ewing & U. Becker

Source: NC State University Libraries
Added: August 6, 2018

2013 | journal article

Free energies of (Co, Fe, Ni, Zn)Fe2O4 spinels and oxides in water at high temperatures and pressure from density functional theory: results for stoichiometric NiO and NiFe2O4 surfaces

Journal of Physics. Condensed Matter, 25(44).

By: C. O'Brien, Z. Rak & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018