Zsolt Rak

Rak, Z., & Brenner, D. W. (2020). Exchange interactions and long-range magnetic order in the (Mg,Co,Cu,Ni,Zn)O entropy-stabilized oxide: A theoretical investigation. JOURNAL OF APPLIED PHYSICS, 127(18). https://doi.org/10.1063/5.0008258

Rak, Z., & Brenner, D. W. (2019). Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors. JOURNAL OF NUCLEAR MATERIALS, 526. https://doi.org/10.1016/j.jnucmat.2019.151773

Lim, M., Rak, Z., Braun, J. L., Rost, C. M., Kotsonis, G. N., Hopkins, P. E., … Brenner, D. W. (2019). 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). https://doi.org/10.1063/1.5080419

Kleppinger, J. W., Pershin, Y., Rak, Z., & Mandal, K. C. (2019). Investigation on origin of Ru-induced deep-level defects in 4H-SiC epilayer based Schottky diodes by DLTS and theoretical calculations. HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XXI, Vol. 11114. https://doi.org/10.1117/12.2530177

Rak, Z., & Brenner, D. W. (2019). Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions. JOURNAL OF NANOMATERIALS, 2019. https://doi.org/10.1155/2019/5268415

Rak, Z., Maria, J.-P., & Brenner, D. W. (2018). Evidence for Jahn-Teller compression in the (Mg, Co, Ni, Cu, Zn)O entropy-stabilized oxide: A DFT study. MATERIALS LETTERS, 217, 300–303. https://doi.org/10.1016/j.matlet.2018.01.111

Rak, Z., & Brenner, D. W. (2018). First-principles investigation of diffusion and defect properties of Fe and Ni in Cr2O3. Journal of Applied Physics, 123(15).

Rak, Z., & Brenner, D. W. (2017). Ab initio investigation of the surface properties of austenitic Fe-Ni-Cr alloys in aqueous environments. APPLIED SURFACE SCIENCE, 402, 108–113. https://doi.org/10.1016/j.apsusc.2017.01.048

Rost, C. M., Rak, Z., Brenner, D. W., & Maria, J.-P. (2017). Local structure of the MgxNixCoxCuxZnxO(x=0.2) entropy-stabilized oxide: An EXAFS study. JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 100(6), 2732–2738. https://doi.org/10.1111/jace.14756

Rak, Z., Rost, C. M., Lim, M., Sarker, P., Toher, C., Curtarolo, S., … Brenner, D. W. (2016). Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations. Journal of Applied Physics, 120(9).

Rak, Z., O'Brien, C. J., Shin, D., Andersson, A. D., Stanek, C. R., & Brenner, D. W. (2016). Theoretical assessment of bonaccordite formation in pressurized water reactors. JOURNAL OF NUCLEAR MATERIALS, 474, 62–64. https://doi.org/10.1016/j.jnucmat.2016.02.016

Rak, Z., O'Brien, C. J., Brenner, D. W., Andersson, D. A., & Stanek, C. R. (2016). Understanding the Atomic-Level Chemistry and Structure of Oxide Deposits on Fuel Rods in Light Water Nuclear Reactors Using First Principles Methods. JOM, 68(11), 2912–2921. https://doi.org/10.1007/s11837-016-2102-z

Brenner, D. W., Lu, S., Christopher J. O'Brien, Bucholz, E. W., & Rak, Z. (2015). 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. https://doi.org/10.1016/j.jnucmat.2014.11.061

Rak, Z., Bucholz, E. W., & Brenner, D. W. (2015). 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. https://doi.org/10.1016/j.jnucmat.2015.03.038

Rak, Z., & Brenner, D. W. (2015). Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb3AuGe2In3. PHILOSOPHICAL MAGAZINE, 95(20), 2167–2174. https://doi.org/10.1080/14786435.2015.1052859

Christopher J. O'Brien, Rak, Z., & Brenner, D. W. (2014). Calculated Stability and Structure of Nickel Ferrite Crystal Surfaces in Hydrothermal Environments. JOURNAL OF PHYSICAL CHEMISTRY C, 118(10), 5414–5423. https://doi.org/10.1021/jp5002308

O'Brien, C. J., Rak, Z., Bucholz, E. W., & Brenner, D. W. (2014). First principles calculations predict stable 50 nm nickel ferrite particles in PWR coolant. JOURNAL OF NUCLEAR MATERIALS, 454(1-3), 77–80. https://doi.org/10.1016/j.jnucmat.2014.07.049

Rak, Z., O'Brien, C. J., & Brenner, D. W. (2014). First-principles investigation of boron defects in nickel ferrite spinel. JOURNAL OF NUCLEAR MATERIALS, 452(1-3), 446–452. https://doi.org/10.1016/j.jnucmat.2014.05.031

Rák, Z., O’Brien, C. J., & Brenner, D. W. (2014). First-principles investigation of boron incorporation into CRUD under Pressurized Water Reactor conditions. Materials Research Society Symposium Proceedings, 1709. https://doi.org/10.1557/opl.2014.748

Guo, X., Rak, Z., Tavakoli, A. H., Becker, U., Ewing, R. C., & Navrotsky, A. (2014). Thermodynamics of thorium substitution in yttrium iron garnet: comparison of experimental and theoretical results. JOURNAL OF MATERIALS CHEMISTRY A, 2(40), 16945–16954. https://doi.org/10.1039/c4ta03683b

Nelson, A.-G. D., Rak, Z., Abrecht-Schmitt, T. E., Becker, U., & Ewing, R. C. (2014). Three New Silver Uranyl Diphosphonates: Structures and Properties. INORGANIC CHEMISTRY, 53(6), 2787–2796. https://doi.org/10.1021/ic401897n

Rak, Z., Ewing, R. C., & Becker, U. (2013). Electronic structure and thermodynamic stability of uranium-doped yttrium iron garnet. JOURNAL OF PHYSICS-CONDENSED MATTER, 25(49). https://doi.org/10.1088/0953-8984/25/49/495502

Rak, Z., Ewing, R. C., & Becker, U. (2013). Ferric garnet matrices for immobilization of actinides. JOURNAL OF NUCLEAR MATERIALS, 436(1-3), 1–7. https://doi.org/10.1016/j.jnucmat.2013.01.290

O’Brien, C. J., Rák, Z., & Brenner, D. W. (2013). Free energies of (Co, Fe, Ni, Zn) Fe 2 O 4 spinels and oxides in water at high temperatures and pressure from density functional theory: results for stoichiometric NiO and NiFe2O4surfaces. Journal of Physics: Condensed Matter, 25(44), 445008. https://doi.org/10.1088/0953-8984/25/44/445008

Rak, Z., Ewing, R. C., & Becker, U. (2013). Hydroxylation-induced surface stability of AnO(2) (An = U, Np, Pu) from first-principles. Surface Science, 608, 180–187. https://doi.org/10.1016/j.susc.2012.10.002

Rak, Z., Ewing, R. C., & Becker, U. (2011). Ab initio investigation of actinide incorporation in Ti, Zr, Hf, and Sn-containing garnet structure. Abstracts of Papers of the American Chemical Society, 241.

Shuller, L., Renock, D., Rak, Z., Fernando, S., Dzulkifli, I., Ewing, R., & Becker, U. (2011). Actinide adsorption onto mineral surfaces: A quantum-mechanical investigation. Abstracts of Papers of the American Chemical Society, 242.

Becker, U., Shuller, L. C., Ewing, R. C., & Rak, Z. (2011). Actinide incorporation into uranyl alteration phases and garnets. Abstracts of Papers of the American Chemical Society, 242.

Wang, J., Rak, Z., Zhang, F., Ewing, R. C., & Becker, U. (2011). Electronic structure and energetics of tetragonal SrCuO2and its high-pressure superstructure phase. Journal of Physics-Condensed Matter, 23(46), 465503. https://doi.org/10.1088/0953-8984/23/46/465503

Rak, Z., Mahanti, S. D., Mandal, K. C., & Fernelius, N. C. (2011). Electronic structure of Cd, In, Sn substitutional Defects in GaSe. In, Sn Substitutional Defects in GaSe', <i>MRS Proceedings, 994. https://doi.org/10.1557/PROC-0994-F03-10

Rak, Z., Ewing, R. C., & Becker, U. (2011). First-principles investigation of Ca-3(Ti, Zr, Hf, Sn)(2)Fe2SiO12 garnet structure for incorporation of actinides. Physical Review B, 83(15). https://doi.org/10.1103/PhysRevB.83.155123

Rak, Z., Ewing, R. C., & Becker, U. (2011). Role of iron in the incorporation of uranium in ferric garnet matrices. Physical Review B, 84(15). https://doi.org/10.1103/PhysRevB.84.155128

Rak, Z., Mahanti, S. D., Mandal, K. C., & Fernelius, N. C. (2010). Defect-induced rigidity enhancement in layered semiconductors. Solid State Communications, 150(27-28), 1200–1203. https://doi.org/10.1016/j.ssc.2010.04.011

Rak, Z., Mahanti, S. D., Mandal, K. C., & Fernelius, N. C. (2010). Doping dependence of electronic and mechanical properties of GaSe1-xTex and Ga1-xInxSe from first principles. Physical Review B, 82(15). https://doi.org/10.1103/PhysRevB.82.155203

Rak, Z., Ewing, R. C., & Becker, U. (2010). Electronic structure of Ti, Zr, Hf and Sn containing garnets - Materials for immobilization of actinides. Geochimica Et Cosmochimica Acta, 74(12), A845.

Wu, X., Francisco, M., Zsolt Rak, T. B., Mahanti, S. D., & Kanatzidis, M. G. (2009). ChemInform Abstract: Synthesis, Magnetism and Electronic Structure of YbNi2-xFexAl8(x = 0.91) Isolated from Al Flux. ChemInform, 40(11). https://doi.org/10.1002/chin.200911014

Rak, Z., Mahanti, S. D., Mandal, K. C., & Fernelius, N. C. (2009). Electronic structure of substitutional defects and vacancies in GaSe. Journal of Physics and Chemistry of Solids, 70(2), 344–355. https://doi.org/10.1016/j.jpcs.2008.10.022

Tomic, A., Rak, Z., Veazey, J. P., Malliakas, C. D., Mahanti, S. D., Kanatzidis, M. G., & Tessmer, S. H. (2009). Scanning tunneling microscopy study of the CeTe3 charge density wave. Physical Review B, 79(8). https://doi.org/10.1103/PhysRevB.79.085422

Rak, Z., Mahanti, S. D., Mandal, K. C., Fernelius, N. C., Burger, A., Franks, L. A., & James, R. B. (2008). Theoretical studies of defects states in GaSe and GaTe. Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X, 7079. https://doi.org/10.1117/12.796229

Rak, Z., Mahanti, S. D., Mandal, K. C., Fernelius, N. C., Ashok, S., Chevallier, J., … Ogino, T. (2007). Electronic structure of Cd, In, Sn substitutional defects in GaSe. In Semiconductor Defect Engineering-Materials, Synthetic Structures and Devices II (Vol. 994, pp. 73–78).

Rak, Z., Mahanti, S. D., Mandal, K. C., & Fernelius, N. C. (2007). Electronic structure of Cd, In, Sn substitutional defects in GaSe. Materials Research Society Symposium Proceedings, 994, 73–78. Retrieved from http://www.scopus.com/inward/record.url?eid=2-s2.0-45749109334&partnerID=MN8TOARS