The predicted shapes of voids and Xe bubbles in UO2

C O T  Galvin; Michael Rushton; M W D  Cooper; P A  Burr; R W  Grimes

doi:10.1016/j.jnucmat.2020.152622

The predicted shapes of voids and Xe bubbles in UO2

C O T Galvin
, Michael Rushton
, M W D Cooper
, P A Burr
, R W Grimes

Ysgol Cyfrifiadureg a Pheirianneg

Grand Challenges in Ecosystem and the Environment Initiative, Imperial College London, Silwood Park Campus, Ascot, Berkshire SL5 7PY, UK [email protected].
Los Alamos National Laboratory
University of New South Wales, Australia

Allbwn ymchwil: Cyfraniad at gyfnodolyn › Erthygl › adolygiad gan gymheiriaid

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Morphology is a fundamental attribute when investigating voids and bubbles in
. This study uses molecular dynamics and Monte Carlo simulations to predict the lowest energy shapes for voids and bubbles in
. The energies of the and surfaces have been calculated and used to predict the equilibrium void shape from Wulff construction. This equilibrium shape is compared to low energy faceted voids exhibiting different relative proportions of each family of terminating surfaces. It is found that the equilibrium Wulff shape does not represent the lowest energy morphology for nm void sizes at temperatures between 300 K and 1200 K. Furthermore, the lowest energy faceted voids are slightly more energetically favourable than spherical voids, and as Xe is added, and bubble pressure increases, the faceted morphology becomes even more favourable than the spherical shape

Iaith wreiddiol	Saesneg
Rhif yr erthygl	152622
Cyfnodolyn	Journal of Nuclear Materials
Cyfrol	543
Dyddiad ar-lein cynnar	24 Hyd 2020
Dynodwyr Gwrthrych Digidol (DOIs)	https://doi.org/10.1016/j.jnucmat.2020.152622
Statws	Cyhoeddwyd - 1 Ion 2021

Mynediad at Ddogfen

10.1016/j.jnucmat.2020.152622

Dyfynnu hyn

@article{28335a4007434b87828c67c7012b0b97,

title = "The predicted shapes of voids and Xe bubbles in UO2",

abstract = "Morphology is a fundamental attribute when investigating voids and bubbles in . This study uses molecular dynamics and Monte Carlo simulations to predict the lowest energy shapes for voids and bubbles in . The energies of the and surfaces have been calculated and used to predict the equilibrium void shape from Wulff construction. This equilibrium shape is compared to low energy faceted voids exhibiting different relative proportions of each family of terminating surfaces. It is found that the equilibrium Wulff shape does not represent the lowest energy morphology for nm void sizes at temperatures between 300 K and 1200 K. Furthermore, the lowest energy faceted voids are slightly more energetically favourable than spherical voids, and as Xe is added, and bubble pressure increases, the faceted morphology becomes even more favourable than the spherical shape",

author = "Galvin, \{C O T\} and Michael Rushton and Cooper, \{M W D\} and Burr, \{P A\} and Grimes, \{R W\}",

year = "2021",

month = jan,

day = "1",

doi = "10.1016/j.jnucmat.2020.152622",

language = "English",

volume = "543",

journal = "Journal of Nuclear Materials",

issn = "0022-3115",

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T1 - The predicted shapes of voids and Xe bubbles in UO2

AU - Galvin, C O T

AU - Rushton, Michael

AU - Cooper, M W D

AU - Burr, P A

AU - Grimes, R W

PY - 2021/1/1

Y1 - 2021/1/1

N2 - Morphology is a fundamental attribute when investigating voids and bubbles in . This study uses molecular dynamics and Monte Carlo simulations to predict the lowest energy shapes for voids and bubbles in . The energies of the and surfaces have been calculated and used to predict the equilibrium void shape from Wulff construction. This equilibrium shape is compared to low energy faceted voids exhibiting different relative proportions of each family of terminating surfaces. It is found that the equilibrium Wulff shape does not represent the lowest energy morphology for nm void sizes at temperatures between 300 K and 1200 K. Furthermore, the lowest energy faceted voids are slightly more energetically favourable than spherical voids, and as Xe is added, and bubble pressure increases, the faceted morphology becomes even more favourable than the spherical shape

AB - Morphology is a fundamental attribute when investigating voids and bubbles in . This study uses molecular dynamics and Monte Carlo simulations to predict the lowest energy shapes for voids and bubbles in . The energies of the and surfaces have been calculated and used to predict the equilibrium void shape from Wulff construction. This equilibrium shape is compared to low energy faceted voids exhibiting different relative proportions of each family of terminating surfaces. It is found that the equilibrium Wulff shape does not represent the lowest energy morphology for nm void sizes at temperatures between 300 K and 1200 K. Furthermore, the lowest energy faceted voids are slightly more energetically favourable than spherical voids, and as Xe is added, and bubble pressure increases, the faceted morphology becomes even more favourable than the spherical shape

U2 - 10.1016/j.jnucmat.2020.152622

DO - 10.1016/j.jnucmat.2020.152622

M3 - Article

SN - 0022-3115

VL - 543

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

M1 - 152622

ER -

The predicted shapes of voids and Xe bubbles in UO2

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