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The stability of alloying additions in Zirconium

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The stability of alloying additions in Zirconium. / Lumley, S. C.; Murphy, S. T.; Burr, P. A. et al.
In: Journal of Nuclear Materials, Vol. 437, No. 1-3, 06.2013, p. 122-129.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Lumley, SC, Murphy, ST, Burr, PA, Grimes, RW, Chard-Tuckey, PR & Wenman, MR 2013, 'The stability of alloying additions in Zirconium', Journal of Nuclear Materials, vol. 437, no. 1-3, pp. 122-129. https://doi.org/10.1016/j.jnucmat.2013.01.335

APA

Lumley, S. C., Murphy, S. T., Burr, P. A., Grimes, R. W., Chard-Tuckey, P. R., & Wenman, M. R. (2013). The stability of alloying additions in Zirconium. Journal of Nuclear Materials, 437(1-3), 122-129. https://doi.org/10.1016/j.jnucmat.2013.01.335

Vancouver

Lumley SC, Murphy ST, Burr PA, Grimes RW, Chard-Tuckey PR, Wenman MR. The stability of alloying additions in Zirconium. Journal of Nuclear Materials. 2013 Jun;437(1-3):122-129. doi: 10.1016/j.jnucmat.2013.01.335

Author

Lumley, S. C. ; Murphy, S. T. ; Burr, P. A. et al. / The stability of alloying additions in Zirconium. In: Journal of Nuclear Materials. 2013 ; Vol. 437, No. 1-3. pp. 122-129.

Bibtex

@article{01600dc53b214ffda9b12a4f2fc309f1,
title = "The stability of alloying additions in Zirconium",
abstract = "The interactions of Cr, Fe, Nb, Ni, Sn, V and Y with Zr are simulated using density functional theory. Thermodynamic stabilities of various different Zr based intermetallic compounds, including multiple Laves phase structures and solutions of alloying additions in both alpha and beta-Zr were investigated. The thermodynamic driving forces in this system can be correlated with trends in atomic radii and the relative electronegativities of the different species. Formation energies of Fe, Ni and Sn based intermetallic compounds were found to be negative, and the Zr2Fe and Zr2Ni intermetallics were metastable. Most elements displayed negative energies of solution in beta-Zr but positive energies in the alpha-phase, with the exception of Sn (which was negative for both) and Y (which was positive for both). Solutions formed from intermetallics showed a similar trend. (C) 2013 Elsevier B.V. All rights reserved.",
keywords = "NEUTRON-DIFFRACTION, PHASE-STABILITY, LAVES PHASES, ZIRCALOY-4, SYSTEM, FE, IRRADIATION, HYDRIDES, BULK, NI",
author = "Lumley, {S. C.} and Murphy, {S. T.} and Burr, {P. A.} and Grimes, {R. W.} and Chard-Tuckey, {P. R.} and Wenman, {M. R.}",
year = "2013",
month = jun,
doi = "10.1016/j.jnucmat.2013.01.335",
language = "English",
volume = "437",
pages = "122--129",
journal = "Journal of Nuclear Materials",
issn = "0022-3115",
publisher = "Elsevier Science B.V.",
number = "1-3",

}

RIS

TY - JOUR

T1 - The stability of alloying additions in Zirconium

AU - Lumley, S. C.

AU - Murphy, S. T.

AU - Burr, P. A.

AU - Grimes, R. W.

AU - Chard-Tuckey, P. R.

AU - Wenman, M. R.

PY - 2013/6

Y1 - 2013/6

N2 - The interactions of Cr, Fe, Nb, Ni, Sn, V and Y with Zr are simulated using density functional theory. Thermodynamic stabilities of various different Zr based intermetallic compounds, including multiple Laves phase structures and solutions of alloying additions in both alpha and beta-Zr were investigated. The thermodynamic driving forces in this system can be correlated with trends in atomic radii and the relative electronegativities of the different species. Formation energies of Fe, Ni and Sn based intermetallic compounds were found to be negative, and the Zr2Fe and Zr2Ni intermetallics were metastable. Most elements displayed negative energies of solution in beta-Zr but positive energies in the alpha-phase, with the exception of Sn (which was negative for both) and Y (which was positive for both). Solutions formed from intermetallics showed a similar trend. (C) 2013 Elsevier B.V. All rights reserved.

AB - The interactions of Cr, Fe, Nb, Ni, Sn, V and Y with Zr are simulated using density functional theory. Thermodynamic stabilities of various different Zr based intermetallic compounds, including multiple Laves phase structures and solutions of alloying additions in both alpha and beta-Zr were investigated. The thermodynamic driving forces in this system can be correlated with trends in atomic radii and the relative electronegativities of the different species. Formation energies of Fe, Ni and Sn based intermetallic compounds were found to be negative, and the Zr2Fe and Zr2Ni intermetallics were metastable. Most elements displayed negative energies of solution in beta-Zr but positive energies in the alpha-phase, with the exception of Sn (which was negative for both) and Y (which was positive for both). Solutions formed from intermetallics showed a similar trend. (C) 2013 Elsevier B.V. All rights reserved.

KW - NEUTRON-DIFFRACTION

KW - PHASE-STABILITY

KW - LAVES PHASES

KW - ZIRCALOY-4

KW - SYSTEM

KW - FE

KW - IRRADIATION

KW - HYDRIDES

KW - BULK

KW - NI

U2 - 10.1016/j.jnucmat.2013.01.335

DO - 10.1016/j.jnucmat.2013.01.335

M3 - Journal article

VL - 437

SP - 122

EP - 129

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

SN - 0022-3115

IS - 1-3

ER -