Searched for: author%3A%22Smith%2C+A.L.%22
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Smith, A.L. (author), Pham Thi, T. N. (author), Guéneau, C. (author), Dumas, J. (author), Epifano, E. (author), van Burik, W. (author), Dupin, N. (author)
This work reports the thermodynamic modelling assessment of the rather complex Cs-Mo-O system, which is key for the understanding of fission products chemistry in oxide fuelled Light Water Reactors (LWRs) and next generation Sodium-cooled and Lead-cooled Fast Reactors (SFRs and LFRs). The model accounts for the existence of the ternary...
journal article 2021
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Ocadiz flores, J.A. (author), Gheribi, A. E. (author), Vlieland, J. (author), de Haas, D.W. (author), Dardenne, K. (author), Rothe, J. (author), Konings, R. (author), Smith, A.L. (author)
The short-range structures of LiF-ThF4, NaF-AnF4, KF-AnF4, and Cs-AnF4 (An = Th, U), were probed using in situ high temperature Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. Signally, the EXAFS spectra of pure molten ThF4 and UF4 were measured for the first time. The data were interpreted with the aid of Molecular Dynamics ...
journal article 2021
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Smith, A.L. (author), Rutten, M. (author), Herrmann, L. (author), Epifano, E. (author), Konings, R. (author), Colineau, E. (author), Griveau, J. C. (author), Guéneau, C. (author), Dupin, N. (author)
Thermodynamic measurements on BaMoO<sub>4</sub>, BaMoO<sub>3</sub> and BaMo<sub>3</sub>O<sub>10</sub> are reported, that served as input for the development of a thermodynamic model of the Ba-Mo-O system using the CALPHAD methodology. The valence states of molybdenum in BaMoO<sub>4</sub> and BaMoO<sub>3</sub> were confirmed to be VI and IV,...
journal article 2021
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Ocadiz flores, J.A. (author), Gheribi, A. E. (author), Vlieland, J. (author), Dardenne, K. (author), Rothe, J. (author), Konings, R. (author), Smith, A.L. (author)
© 2021 The Authors LiF-UF4 is a key binary system for molten fluoride reactor technology, which has not been scrutinized as thoroughly as the closely related LiF-ThF4 system. The phase diagram equilibria in the system LiF-UF4 are explored in this work with X-ray diffraction (XRD) and differential scanning calorimetry (DSC). The short-range...
journal article 2021
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van Oudenaren, G. I.L. (author), Ocadiz flores, J.A. (author), Smith, A.L. (author)
Molten chloride salts are ionic liquids in which the anions and cations exhibit network formation. An attractive salt system for use in molten salt reactors is NaCl-UCl<sub>3</sub>, an ionic liquid with complex non-ideal thermodynamic behaviour due to the formation of short-range order. The relationship between local structure and...
journal article 2021
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Schreuder, Maarten B.J.W. (author), Ocadiz flores, J.A. (author), Gheribi, Aimen E. (author), Beneš, Ondrej (author), Griveau, Jean Christophe (author), Colineau, Eric (author), Konings, R. (author), Smith, A.L. (author)
The structural, thermochemical, and thermophysical properties of the NaF-ThF4 fuel system were studied with experimental methods and molecular dynamics (MD) simulations. Equilibrium MD (EMD) simulations using the polarizable ion model were performed to calculate the density, molar volume, thermal expansion, mixing enthalpy, heat capacity, and...
journal article 2021
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Smith, A.L. (author), Vlieland, J. (author), Pignié, M. C. (author), Abbink, M. (author), Mikaelian, G. (author), Benigni, P. (author)
The ternary cesium molybdates Cs<sub>2</sub>Mo<sub>2</sub>O<sub>7</sub>, Cs<sub>2</sub>Mo<sub>3</sub>O<sub>10</sub>, Cs<sub>2</sub>Mo<sub>5</sub>O<sub>16</sub> and Cs<sub>2</sub>Mo<sub>7</sub>O<sub>22</sub> have been synthesized in this work using a solid state route and their structures have been characterized using X-ray diffraction. The...
journal article 2021
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Smith, A.L. (author), Capelli, E. (author), Konings, R. (author), Gheribi, A. E. (author)
The (Li,Be)F<sub>x</sub> fluoride salt is an ionic liquid with complex non-ideal thermodynamic behaviour due to the formation of short-range order. In this work, we explore the relationship between local structure, thermo-physical and thermodynamic properties in this system using a multidisciplinary approach that couples molecular dynamics...
journal article 2020
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Epifano, E. (author), Volfi, Andrea (author), Abbink, Maas (author), Nieuwland, Hendrik (author), van Eijck, L. (author), Wallez, Gilles (author), Banerjee, Dipanjan (author), Martin, Philippe M. (author), Smith, A.L. (author)
The formation of a thin layer, the so-called Joint Oxyde-Gaine (JOG), between the (U,Pu)O2 fuel pellets and the cladding has been observed in fast neutron reactors, due to the accumulation of volatile fission products. Cs2MoO4 is known to be one of the major components of the JOG, but other elements are also present, in particular tellurium...
journal article 2020
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Guéneau, C. (author), Dupin, N. (author), Kjellqvist, L. (author), Geiger, E. (author), Kurata, M. (author), Gossé, S. (author), Corcoran, E. (author), Quaini, A. (author), Smith, A.L. (author)
The Thermodynamics of Advanced Fuels – International Database (TAF-ID) was developed using the Calphad method to provide a computational tool to perform thermodynamic calculations on nuclear fuel materials under normal and off-normal conditions. Different kinds of fuels are considered: oxide, metallic, carbide and nitride fuels. Many fission...
journal article 2020
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Kauric, Guilhem (author), Epifano, E. (author), Martin, Philippe M. (author), van Eijck, L. (author), Bouëxière, Daniel (author), Clavier, Nicolas (author), Guéneau, Christine (author), Smith, A.L. (author)
Neutron diffraction, X-ray absorption spectroscopy (XAS), and Raman spectroscopy measurements of the quaternary perovskite phase Ba<sub>2</sub>NaMoO<sub>5.5</sub> have been performed in this work. The cubic crystal structure in space group Fm3&amp;macr; m has been refined using the Rietveld method. X-ray absorption near-edge structure...
journal article 2020
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Ocadiz flores, J.A. (author), Carré, E. (author), Griveau, J. C. (author), Colineau, E. (author), Capelli, E. (author), Souček, P. (author), Beneš, O. (author), Smith, A.L. (author)
A thermodynamic assessment of the KF-ThF<sub>4</sub> binary system using the CALPHAD method is presented, where the liquid solution is described by the modified quasichemical formalism in the quadruplet approximation. The optimization of the phase diagram is based on experimental data reported in the literature and newly measured X-ray...
journal article 2020
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Smith, A.L. (author), de Zoete, Nathan (author), Rutten, Maikel (author), van Eijck, L. (author), Griveau, Jean Christophe (author), Colineau, Eric (author)
The existence of a novel double-molybdate phase with a palmierite-type structure, Cs2Ba(MoO4)2, is revealed in this work, and its structural properties at room temperature have been characterized in detail using X-ray and neutron diffraction measurements. In addition, its thermal stability and thermal expansion are investigated in the...
journal article 2020
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Smith, A.L. (author), Kauric, G.P.T.F. (author), van Eijck, L. (author), Goubitz, K. (author), Clavier, N. (author), Wallez, G. (author), Konings, R. (author)
Neutron diffraction measurements of the double molybdate Cs<sub>3</sub>Na(MoO<sub>4</sub>)<sub>2</sub> have been performed for the first time in this work and the crystal structure refined using the Rietveld method. The thermal expansion of this trigonal phase, in space group P3¯m1, measured using high temperature X-ray diffraction (XRD),...
journal article 2019
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Ocadiz Flores, J.A. (author), Capelli, E. (author), Raison, P. E. (author), Konings, R.J.M. (author), Smith, A.L. (author)
Using the modified quasi-chemical model in the quadruplet approximation, three new thermodynamic assessments of binary systems useful for the detailed operational design of the Molten Salt Reactor are presented: AF-NiF<sub>2</sub> (A = Li, Na, K). These systems are particularly relevant for the study of the molten salt-structural materials...
journal article 2018
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Smith, A.L. (author), Pignié, M.C.F.C.O. (author), van Eijck, L. (author), Griveau, Jean Christophe (author), Colineau, Eric (author), Konings, R. (author)
The enthalpy of formation at 298.15 K and low temperature heat capacity of Cs3Na(MoO4)2 have been measured for the first time in this work using solution calorimetry and thermal-relaxation calorimetry in the temperature range T = (1.9–299.6) K, respectively. The solution calorimetry measurements, performed in 2 M HNO3 solution, have yielded an...
journal article 2018
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Smith, A.L. (author), Verleg, M.N. (author), Vlieland, J. (author), de Haas, D.W. (author), Ocadiz Flores, J.A. (author), Martin, Philippe (author), Rothe, Jörg (author), Capelli, E. (author), van Eijck, L. (author)
The development at the Delft University of Technology (TU Delft, The Netherlands) of an experimental set-up dedicated to high-temperature in situ EXAFS measurements of radioactive, air-sensitive and corrosive fluoride salts is reported. A detailed description of the sample containment cell, of the furnace design, and of the measurement...
journal article 2018
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Smith, A.L. (author), Guéneau, C (author), Flèche, J. L. (author), Chatain, S. (author), Beneš, O. (author), Konings, R. (author)
A thermodynamic model for the Na-O system was developed for the first time using the CALPHAD method after review of the structural, thermodynamic, and phase diagram data available on this system. Differential Scanning Calorimetry measurements were moreover performed to assess the phase equilibria and liquidus temperature in the Na<sub>2</sub...
journal article 2017
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Smith, A.L. (author), Colineau, Eric (author), Griveau, Jean Christophe (author), Popa, Karin (author), Kauric, Guilhem (author), Martin, Philippe M. (author), Scheinost, Andreas C. (author), Cheetham, Anthony K. (author), Konings, Rudy J.M. (author)
The physicochemical properties of the potassium neptunate K<sub>2</sub>NpO<sub>4</sub> have been investigated in this work using X-ray diffraction, X-ray absorption near edge structure (XANES) spectroscopy at the Np-L<sub>3</sub> edge, and low-temperature heat capacity measurements. A Rietveld refinement of the crystal structure is reported...
journal article 2017
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Smith, A.L. (author), Colle, J-Y (author), Benes, O (author), Konings, R. (author), Sundman, B (author), Guéneau, C (author)
journal article 2016
Searched for: author%3A%22Smith%2C+A.L.%22
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