An ab-initio based semi-empirical thermal conductivity model for multiphase uranium-zirconium alloys
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1815194
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Journal of Nuclear Materials
- Additional Journal Information:
- Journal Name: Journal of Nuclear Materials Journal Volume: 553 Journal Issue: C; Journal ID: ISSN 0022-3115
- Publisher:
- Elsevier
- Country of Publication:
- Netherlands
- Language:
- English
Citation Formats
Zhou, Shuxiang, Zhang, Yongfeng, and Morgan, Dane. An ab-initio based semi-empirical thermal conductivity model for multiphase uranium-zirconium alloys. Netherlands: N. p., 2021.
Web. doi:10.1016/j.jnucmat.2021.153044.
Zhou, Shuxiang, Zhang, Yongfeng, & Morgan, Dane. An ab-initio based semi-empirical thermal conductivity model for multiphase uranium-zirconium alloys. Netherlands. https://doi.org/10.1016/j.jnucmat.2021.153044
Zhou, Shuxiang, Zhang, Yongfeng, and Morgan, Dane. Wed .
"An ab-initio based semi-empirical thermal conductivity model for multiphase uranium-zirconium alloys". Netherlands. https://doi.org/10.1016/j.jnucmat.2021.153044.
@article{osti_1815194,
title = {An ab-initio based semi-empirical thermal conductivity model for multiphase uranium-zirconium alloys},
author = {Zhou, Shuxiang and Zhang, Yongfeng and Morgan, Dane},
abstractNote = {},
doi = {10.1016/j.jnucmat.2021.153044},
journal = {Journal of Nuclear Materials},
number = C,
volume = 553,
place = {Netherlands},
year = {Wed Sep 01 00:00:00 EDT 2021},
month = {Wed Sep 01 00:00:00 EDT 2021}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1016/j.jnucmat.2021.153044
https://doi.org/10.1016/j.jnucmat.2021.153044
Other availability
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Metallic fuels for advanced reactors
journal, July 2009
- Carmack, W. J.; Porter, D. L.; Chang, Y. I.
- Journal of Nuclear Materials, Vol. 392, Issue 2
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Time-resolved electron-temperature measurement in a highly excited gold target using femtosecond thermionic emission
journal, September 1994
- Wang, X. Y.; Riffe, D. M.; Lee, Y. -S.
- Physical Review B, Vol. 50, Issue 11
Crystal Structure Variations in Alpha Uranium at Low Temperatures
journal, January 1963
- Barrett, C. S.; Mueller, M. H.; Hitterman, R. L.
- Physical Review, Vol. 129, Issue 2
The uranium-molybdenum equilibrium diagram below 900° C
journal, March 1960
- Dwight, Austin E.
- Journal of Nuclear Materials, Vol. 2, Issue 1
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
U-Zr (Uranium-Zirconium)
journal, July 2007
- Okamoto, H.
- Journal of Phase Equilibria and Diffusion, Vol. 28, Issue 5
Ab initio phonon point defect scattering and thermal transport in graphene
journal, January 2018
- Polanco, Carlos A.; Lindsay, Lucas
- Physical Review B, Vol. 97, Issue 1
Electron-phonon coupling and electron heat capacity of metals under conditions of strong electron-phonon nonequilibrium
journal, February 2008
- Lin, Zhibin; Zhigilei, Leonid V.; Celli, Vittorio
- Physical Review B, Vol. 77, Issue 7
Thermal conductivity of zirconium
journal, October 1995
- Fink, J. K.; Leibowitz, L.
- Journal of Nuclear Materials, Vol. 226, Issue 1-2
Thermal conductivities of actinides (U, Pu, Np, Cm, Am) and uranium-alloys (U–Zr, U–Pu–Zr and U–Pu–TRU–Zr)
journal, February 2014
- Kim, Yeon Soo; Cho, Tae Won; Sohn, Dong-Seong
- Journal of Nuclear Materials, Vol. 445, Issue 1-3
Simple Model for Characterizing the Electrical Resistivity in Superconductors
journal, April 1977
- Wiesmann, H.; Gurvitch, M.; Lutz, H.
- Physical Review Letters, Vol. 38, Issue 14
Thermodynamic modeling of the U–Zr system – A revisit
journal, November 2013
- Xiong, Wei; Xie, Wei; Shen, Chao
- Journal of Nuclear Materials, Vol. 443, Issue 1-3
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Thermal conductivity bounds for isotropic, porous materials
journal, May 2005
- Carson, James K.; Lovatt, Simon J.; Tanner, David J.
- International Journal of Heat and Mass Transfer, Vol. 48, Issue 11
Density-functional study of U–Mo and U–Zr alloys
journal, July 2011
- Landa, A.; Söderlind, P.; Turchi, P. E. A.
- Journal of Nuclear Materials, Vol. 414, Issue 2
Theory of the Resistivity Change in a Metal due to Multiple Point Imperfections
journal, December 1966
- Alfred, L. C. R.
- Physical Review, Vol. 152, Issue 2
Electrical resistivity of α-uranium from 2° to 300°K
journal, July 1964
- Arajs, Sigurds; Colvin, R. V.
- Journal of the Less Common Metals, Vol. 7, Issue 1
First-principles study of ground-state properties of U 2 Mo
journal, January 2014
- Wang, Xin; Cheng, Xiyue; Zhang, Yuting
- Phys. Chem. Chem. Phys., Vol. 16, Issue 48
Theory of nonuniform electronic systems. I. Analysis of the gradient approximation and a generalization that works
journal, June 1980
- Langreth, David C.; Perdew, John P.
- Physical Review B, Vol. 21, Issue 12
Electron-phonon interactions and related physical properties of metals from linear-response theory
journal, December 1996
- Savrasov, S. Y.; Savrasov, D. Y.
- Physical Review B, Vol. 54, Issue 23
Temperature and composition dependent thermal conductivity model for U-Zr alloys
journal, August 2018
- Chen, Weiming; Bai, Xian-Ming
- Journal of Nuclear Materials, Vol. 507
Distributions of phonon lifetimes in Brillouin zones
journal, March 2015
- Togo, Atsushi; Chaput, Laurent; Tanaka, Isao
- Physical Review B, Vol. 91, Issue 9
PHON: A program to calculate phonons using the small displacement method
journal, December 2009
- Alfè, Dario
- Computer Physics Communications, Vol. 180, Issue 12
Correlation and relativistic effects in U metal and U-Zr alloy: Validation of ab initio approaches
journal, December 2013
- Xie, Wei; Xiong, Wei; Marianetti, Chris A.
- Physical Review B, Vol. 88, Issue 23
Thermophysical properties of U2Mo intermetallic
journal, January 2012
- Kutty, T. R. G.; Dash, Smruti; Banerjee, Joydipta
- Journal of Nuclear Materials, Vol. 420, Issue 1-3
BoltzTraP. A code for calculating band-structure dependent quantities
journal, July 2006
- Madsen, Georg K. H.; Singh, David J.
- Computer Physics Communications, Vol. 175, Issue 1
The effect of RE-rich phase on the thermal conductivity of U–Zr–RE alloys
journal, April 2009
- Cheon, Jin-Sik; Oh, Seok-Jin; Lee, Byoung-Oon
- Journal of Nuclear Materials, Vol. 385, Issue 3
Intragranular thermal transport in U–50Zr
journal, June 2020
- Hua, Zilong; Yao, Tiankai; Khanolkar, Amey
- Journal of Nuclear Materials, Vol. 534
Phonon conduction in PbSe, PbTe, and PbTe Se from first-principles calculations
journal, May 2012
- Tian, Zhiting; Garg, Jivtesh; Esfarjani, Keivan
- Physical Review B, Vol. 85, Issue 18
The solid-state properties of uranium A historical perspective and review
journal, February 1994
- Lander, G. H.; Fisher, E. S.; Bader, S. D.
- Advances in Physics, Vol. 43, Issue 1
Heat capacity of metallic uranium and thorium from 80 to 1000 k
journal, January 1980
- Nakamura, Jin-ichi; Takahashi, Yoichi; Izumi, Shin-ichiro
- Journal of Nuclear Materials, Vol. 88, Issue 1
Heat capacity measurements of U0.80Zr0.20 and U0.80Mo0.20 alloys from room temperature to 1300 K
journal, September 1989
- Matsui, Tsuneo; Natsume, Tetsuya; Naito, Keiji
- Journal of Nuclear Materials, Vol. 167
First-principles study of thermal conductivities of uranium aluminides
journal, December 2018
- Mei, Zhi-Gang; Kim, Yeon Soo; Yacout, Abdellatif M.
- Materialia, Vol. 4
Origin of Saturation Effects in Electron Transport
journal, June 1978
- Cote, P. J.; Meisel, L. V.
- Physical Review Letters, Vol. 40, Issue 24
Microstructural evaluation of U-rich U–Zr alloys under near-equilibrium condition
journal, September 2011
- Basak, Chandra Bhanu
- Journal of Nuclear Materials, Vol. 416, Issue 3
Electrical resistivity and thermoelectric power of polycrystalline uranium at elevated temperatures
journal, October 1970
- Arajs, Sigurds; Flora, Robert H.; Anderson, Elmer E.
- Journal of Nuclear Materials, Vol. 37, Issue 1
Microstructural and thermophysical properties of U–6wt.%Zr alloy for fast reactor application
journal, August 2012
- Kaity, Santu; Banerjee, Joydipta; Nair, M. R.
- Journal of Nuclear Materials, Vol. 427, Issue 1-3
Electron-electron scattering in conducting materials
journal, January 1984
- Kaveh, Moshe; Wiser, Nathan
- Advances in Physics, Vol. 33, Issue 4
High Thermal Conductivity in Short-Period Superlattices
journal, December 2011
- Garg, Jivtesh; Bonini, Nicola; Marzari, Nicola
- Nano Letters, Vol. 11, Issue 12, p. 5135-5141
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
Electrical resistivity of substitutionally disordered hcp Fe–Si and Fe–Ni alloys: Chemically-induced resistivity saturation in the Earth's core
journal, October 2016
- Gomi, Hitoshi; Hirose, Kei; Akai, Hisazumi
- Earth and Planetary Science Letters, Vol. 451
Colloquium : Saturation of electrical resistivity
journal, October 2003
- Gunnarsson, O.; Calandra, M.; Han, J. E.
- Reviews of Modern Physics, Vol. 75, Issue 4
Thermo-physical properties of DU–10wt.% Mo alloys
journal, August 2010
- Burkes, Douglas E.; Papesch, Cynthia A.; Maddison, Andrew P.
- Journal of Nuclear Materials, Vol. 403, Issue 1-3
Thermal conductivity of metals and alloys
journal, January 1986
- Klemens, P. G.; Williams, R. K.
- International Materials Reviews, Vol. 31, Issue 1
The alloy theoretic automated toolkit: A user guide
journal, December 2002
- van de Walle, A.; Asta, M.; Ceder, G.
- Calphad, Vol. 26, Issue 4
The crystal structure of U2Mo
journal, March 1957
- Halteman, E. K.
- Acta Crystallographica, Vol. 10, Issue 3
Metallic fast reactor fuels
journal, January 1997
- Hofman, G. L.; Walters, L. C.; Bauer, T. H.
- Progress in Nuclear Energy, Vol. 31, Issue 1-2
Thermal conductivity modeling of U-Mo/Al dispersion fuel
journal, November 2015
- Kim, Yeon Soo; Cho, Byoung Jin; Sohn, Dong-Seong
- Journal of Nuclear Materials, Vol. 466
Interdiffusion in uranium-zirconium solid solutions
journal, September 1996
- Ogata, Takanari; Akabori, Mitsuo; Itoh, Akinori
- Journal of Nuclear Materials, Vol. 232, Issue 2-3
Special quasirandom structures
journal, July 1990
- Zunger, Alex; Wei, S.-H.; Ferreira, L. G.
- Physical Review Letters, Vol. 65, Issue 3, p. 353-356
Thermal Conductivity and Heat Capacity of Zircaloy-2, −4 and Unalloyed Zirconium
journal, October 1975
- Murabayashi, Masayuki; Tanaka, Shigenori; Takahashi, Yoichi
- Journal of Nuclear Science and Technology, Vol. 12, Issue 10
The U-Zr (Uranium-Zirconium) system
journal, April 1989
- Sheldon, R. I.; Peterson, D. E.
- Bulletin of Alloy Phase Diagrams, Vol. 10, Issue 2
Ground state of the U2Mo compound: Physical properties of the Ω-phase
journal, October 2016
- Losada, E. L.; Garcés, J. E.
- Journal of Nuclear Materials, Vol. 479
Calculation of electrical resistivity of highly resistive metallic alloys
journal, April 1977
- Markowitz, D.
- Physical Review B, Vol. 15, Issue 8
Some Physical Properties of the and Phases in the U-Zr System
journal, November 1961
- Barnard, R. D.
- Proceedings of the Physical Society, Vol. 78, Issue 5
A combined ab-initio and empirical model for thermal conductivity of concentrated metal alloys with the focus on binary uranium alloys
journal, March 2021
- Zhou, Shuxiang; Zhang, Yongfeng; Jiang, Chao
- Materialia, Vol. 15
The structure of the δ phase in the uranium–zirconium system
journal, November 1957
- Boyko, E. R.
- Acta Crystallographica, Vol. 10, Issue 11
Thermophysical properties of uranium-zirconium alloys
journal, June 1988
- Takahashi, Yoichi; Yamawaki, Michio; Yamamoto, Kazutaka
- Journal of Nuclear Materials, Vol. 154, Issue 1