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Journal Articles

Correlations for the specific heat capacity of (U$$_x$$Pu$$_{1-x}$$)$$_{1-y}$$Gd$$_y$$O$$_{2-z}$$ derived from molecular dynamics

Galvin, C. O. T.*; Machida, Masahiko; Nakamura, Hiroki; Andersson, D. A.*; Cooper, M. W. D.*

Journal of Nuclear Materials, 572, p.154028_1 - 154028_8, 2022/12

 Times Cited Count:0 Percentile:0.01(Materials Science, Multidisciplinary)

UO$$_2$$ is the primary conventional fuel used in most nuclear reactors with Gd$$_2$$O$$_3$$ commonly added as a burnable absorber to produce a more level power distribution in the reactor core at the beginning of operation. It can also be mixed with other actinide oxides to produce mixed oxide (MOx) fuel. In this study, molecular dynamics simulations were used to predict the specific heat capacity of Gd-doped PuO$$_2$$, UO$$_2$$ and (U,Pu)O$$_2$$ MOx accommodating Gd$$^{3+}$$ substituted at cation sites via two charge compensation mechanisms - oxygen vacancy formation and the oxidation of U$$^{4+}$$ to U$$^{5+}$$. The specific heat capacity values for PuO$$_2$$ and UO$$_2$$ are in good agreement with other studies showing a distinct peak at high temperatures - above 1800 K. As Gd$$^{3+}$$ is added, the peak height reduces for each composition considered. An analytical fit was applied to the data where Gd$$^{3+}$$ was fully charge compensated by either oxygen vacancies or U$$^{5+}$$. The expression was then validated by predicting the specific heat capacity for three compositions of (U$$_x$$Pu$$_{1-x}$$)$$_{1-y}$$Gd$$_y$$O$$_{2-z}$$ containing both oxygen vacancies and U$$^{5+}$$, and compared to molecular dynamics data.

Journal Articles

Machine learning molecular dynamics simulations toward exploration of high-temperature properties of nuclear fuel materials; Case study of thorium dioxide

Kobayashi, Keita; Okumura, Masahiko; Nakamura, Hiroki; Itakura, Mitsuhiro; Machida, Masahiko; Cooper, M. W. D.*

Scientific Reports (Internet), 12(1), p.9808_1 - 9808_11, 2022/06

 Times Cited Count:9 Percentile:71.37(Multidisciplinary Sciences)

no abstracts in English

Journal Articles

EXILL; A High-efficiency, high-resolution setup for $$gamma$$-spectroscopy at an intense cold neutron beam facility

Jentschel, M.*; Blanc, A.*; de France, G.*; K$"o$ster, U.*; Leoni, S.*; Mutti, P.*; Simpson, G.*; Soldner, T.*; Ur, C.*; Urban, W.*; et al.

Journal of Instrumentation (Internet), 12(11), p.P11003_1 - P11003_33, 2017/11

 Times Cited Count:38 Percentile:84.92(Instruments & Instrumentation)

Journal Articles

Free boundary equilibrium in 3D tokamaks with toroidal rotation

Cooper, W. A.*; Brunetti, D.*; Faustin, J. M.*; Graves, J. P.*; Pfefferl$'e$, D.*; Raghunathan, M.*; Sauter, O.*; Tran, T. M.*; Chapman, I. T.*; Ham, C. J.*; et al.

Nuclear Fusion, 55(6), p.063032_1 - 063032_8, 2015/05

 Times Cited Count:2 Percentile:9.03(Physics, Fluids & Plasmas)

An approximate model for a single fluid 3D MHD equilibrium with pure isothermal toroidal flow with imposed nested magnetic flux surfaces is proposed. It recovers the rigorous toroidal rotation equilibrium description in the axisymmetric limit. The approximation is valid under conditions of nearly rigid or vanishing toroidal rotation in regions with 3D deformation of the equilibrium flux surfaces. Bifurcated helical core equilibrium simulations of long-lived modes in the MAST device demonstrate that the magnetic structure is only weakly affected by the flow but that the 3D pressure distortion is important. The pressure is displaced away from the major axis and therefore is not as noticeably helically deformed as the toroidal magnetic flux under the subsonic flow conditions. Fast particle confinement is investigated with the VENUS code. In the presence of toroidal flow, the drift orbit equations depend on the electrostatic potential associated with the rotation and quasineutrality at lowest order in Larmor radius. When the equilibrium has 3D deformations, geometrical terms appear from the evaluation of Ohm's Law that considerably complicates the description of fast particle confinement.

Journal Articles

An Approximate single fluid 3-dimensional magnetohydrodynamic equilibrium model with toroidal flow

Cooper, W. A.*; Hirshman, S. P.*; Chapman, I. T.*; Brunetti, D.*; Faustin, J. M.*; Graves, J. P.*; Pfefferl$'e$, D.*; Raghunathan, M.*; Sauter, O.*; Tran, T. M.*; et al.

Plasma Physics and Controlled Fusion, 56(9), p.094004_1 - 094004_8, 2014/09

 Times Cited Count:4 Percentile:20.57(Physics, Fluids & Plasmas)

An approximate model for a single fluid three-dimensional (3D) magnetohydrodynamic (MHD) equilibrium with pure isothermal toroidal flow with imposed nested magnetic flux surfaces is proposed. It recovers the rigorous toroidal rotation equilibrium description in the axisymmetric limit. The approximation is valid under conditions of nearly rigid or vanishing toroidal rotation in regions with significant 3D deformation of the equilibrium flux surfaces. Bifurcated helical core equilibrium simulations of long-lived modes in the MAST device demonstrate that the magnetic structure is only weakly affected by the flow but that the 3D pressure distortion is important. The pressure is displaced away from the major axis and therefore is not as noticeably helically deformed as the toroidal magnetic flux under the subsonic flow conditions measured in the experiment.

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