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Title: Atomistic simulations of thermodynamic properties of Xe gas bubbles in U10Mo fuels

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Journal Article: Publisher's Accepted Manuscript
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Journal of Nuclear Materials
Additional Journal Information:
Journal Volume: 490; Journal Issue: C; Related Information: CHORUS Timestamp: 2017-10-04 15:29:44; Journal ID: ISSN 0022-3115
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Hu, Shenyang, Setyawan, Wahyu, Joshi, Vineet V., and Lavender, Curt A.. Atomistic simulations of thermodynamic properties of Xe gas bubbles in U10Mo fuels. Netherlands: N. p., 2017. Web. doi:10.1016/j.jnucmat.2017.04.016.
Hu, Shenyang, Setyawan, Wahyu, Joshi, Vineet V., & Lavender, Curt A.. Atomistic simulations of thermodynamic properties of Xe gas bubbles in U10Mo fuels. Netherlands. doi:10.1016/j.jnucmat.2017.04.016.
Hu, Shenyang, Setyawan, Wahyu, Joshi, Vineet V., and Lavender, Curt A.. Sat . "Atomistic simulations of thermodynamic properties of Xe gas bubbles in U10Mo fuels". Netherlands. doi:10.1016/j.jnucmat.2017.04.016.
title = {Atomistic simulations of thermodynamic properties of Xe gas bubbles in U10Mo fuels},
author = {Hu, Shenyang and Setyawan, Wahyu and Joshi, Vineet V. and Lavender, Curt A.},
abstractNote = {},
doi = {10.1016/j.jnucmat.2017.04.016},
journal = {Journal of Nuclear Materials},
number = C,
volume = 490,
place = {Netherlands},
year = {Sat Jul 01 00:00:00 EDT 2017},
month = {Sat Jul 01 00:00:00 EDT 2017}

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Free Publicly Available Full Text
Publisher's Version of Record at 10.1016/j.jnucmat.2017.04.016

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Cited by: 3works
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  • We study computationally the formation of thermodynamics and morphology of silicon self-interstitial clusters using a suite of methods driven by a recent parameterization of the Tersoff empirical potential. Formation free energies and cluster capture zones are computed across a wide range of cluster sizes (2 < N{sub i} < 150) and temperatures (0.65 < T/T{sub m} < 1). Self-interstitial clusters above a critical size (N{sub i} ∼ 25) are found to exhibit complex morphological behavior in which clusters can assume either a variety of disordered, three-dimensional configurations, or one of two macroscopically distinct planar configurations. The latter correspond to the well-known Frank and perfect dislocation loops observed experimentally in ion-implantedmore » silicon. The relative importance of the different cluster morphologies is a function of cluster size and temperature and is dictated by a balance between energetic and entropic forces. The competition between these thermodynamic forces produces a sharp transition between the three-dimensional and planar configurations, and represents a type of order-disorder transition. By contrast, the smaller state space available to smaller clusters restricts the diversity of possible structures and inhibits this morphological transition.« less
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