Search Results - "VAN BRUTZEL, Laurent"

Molecular dynamics simulations of microstructural evolution of irradiated (U,Pu)O 2 studied via simulated XRD patterns by Brutzel, Laurent Van, Fossati, Paul, Chartier, Alain

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Molecular dynamics simulations of microstructural evolution of irradiated (U,Pu)O2 studied via simulated XRD patterns by Brutzel, Laurent Van, Fossati, Paul, Chartier, Alain

“…•Simulation via molecular dynamics of mechanical properties in (U,Pu)O2 as a function of irradiation dose.•Calculation of simulated XRD patterns as a function…”
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Atomistic simulation of point defects behavior in ceria by Guglielmetti, Aurore, Chartier, Alain, Brutzel, Laurent van, Crocombette, Jean-Paul, Yasuda, Kazuhiro, Meis, Constantin, Matsumura, Syo

“…The cerium and oxygen threshold displacement energies and the Frenkel pair recombination in CeO 2 have been investigated with empirical potential molecular…”
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Assessment of empirical potential for MOX nuclear fuels and thermomechanical properties by Balboa, Hector, Van Brutzel, Laurent, Chartier, Alain, Le Bouar, Yann

“…We assess five empirical interatomic potentials in the approximation of rigid ions and pair interactions for the (U1−y,Puy)O solid solution. The assessment…”
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Atomic scale mechanisms for the amorphisation of irradiated graphite by Chartier, Alain, Van Brutzel, Laurent, Pannier, Baptiste, Baranek, Philippe

“…Molecular dynamics simulations using empirical potentials reveal HOPG graphite’s response to irradiations. Two different methodologies: displacement cascades…”
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Molecular dynamics simulation of dislocations in uranium dioxide by Fossati, Paul, Van Brutzel, Laurent, Devincre, Benoît

“…The plasticity of the fluorite structure in UO2 is investigated with molecular dynamics simulation and empirical potential. The stacking fault energies and the…”
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Atomistic Simulation of the Structural, Thermodynamic, and Elastic Properties of Li2TiO3 by Murphy, Samuel T, Zeller, Philippe, Chartier, Alain, Van Brutzel, Laurent

“…Lithium-based ceramics, such as lithium metatitanate, have been proposed for adoption in the breeder blanket region of a fusion reactor. In this article, we…”
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ATOMISTIC ASPECTS OF CRACK PROPAGATION IN BRITTLE MATERIALS: Multimillion Atom Molecular Dynamics Simulations by Rountree, Cindy L, Kalia, Rajiv K, Lidorikis, Elefterios, Nakano, Aiichiro, Van Brutzel, Laurent, Vashishta, Priya

“…Atomistic aspects of dynamic fracture in a variety of brittle crystalline, amorphous, nanophase, and nanocomposite materials are reviewed. Molecular dynamics…”
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A new equation of state for helium nanobubbles embedded in UO$_2$ matrix calculated via molecular dynamics simulations by van Brutzel, Laurent, Chartier, Alain

“…Molecular dynamics simulations have been carried out to determine the equation of state of helium inside nanobubbles embedded into UO$_2$ matrix.The parameters…”
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A new equation of state for helium nanobubbles embedded in UO2 matrix calculated via molecular dynamics simulations by Van Brutzel, Laurent, Chartier, Alain

“…Molecular dynamics simulations have been carried out to determine the equation of state of helium inside nanobubbles embedded into a UO2 matrix. The parameters…”
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Damage characterization of (U,Pu)O2 under irradiation by molecular dynamics simulations by Balboa, Hector, Van Brutzel, Laurent, Chartier, Alain, Le Bouar, Yann

“…Abstract Molecular dynamics simulations have been carried out to investigate the primary radiation damage in (U1-y,Puy)O2 solid solution for various…”
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Damage characterization of (U,Pu)O$_2$ under irradiation by Molecular Dynamics simulations by Balboa, Hector, van Brutzel, Laurent, Chartier, Alain, Le Bouar, Yann

“…Molecular dynamics simulations have been carried out to investigate the primary radiation damage in (U$_{1-y}$,Pu$_y$)O$_2$ solid solution for various…”
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Multiresolution atomistic simulations of dynamic fracture in nanostructured ceramics and glasses by KALIA, Rajiv K, NAKANO, Aiichiro, VASHISHTA, Priya, ROUNTREE, Cindy L, VAN BRUTZEL, Laurent, OGATA, Shuji

“…Multimillion atom molecular-dynamics (MD) simulations are performed to investigate dynamic fracture in glasses and nanostructured ceramics. Using…”
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Damage characterization of (U,Pu)O^sub 2^ under irradiation by molecular dynamics simulations by Balboa, Hector, Van Brutzel, Laurent, Chartier, Alain, Le Bouar, Yann

“…Molecular dynamics simulations have been carried out to investigate the primary radiation damage in (U1-y,Puy)O2 solid solution for various temperatures and…”
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Tensile and micro-compression behaviour of AISI 316L austenitic stainless steel single crystals at 20°C and 300°C: Experiments, modelling and simulations by Scherer, Jean-Michel, Hure, Jérémy, Madec, Ronan, Bourdais, Florian Le, van Brutzel, Laurent, Sao-Joao, Sergio, Kermouche, Guillaume, Besson, Jacques, Tanguy, Benoît

“…The mechanical behaviour of 316L stainless steel single crystal is characterised at room temperature and 300°C. Elasticity moduli at room temperature are…”
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Radiation resistance of (Ni,Fe)Cr2O4 spinels by molecular dynamics simulations by Van Brutzel, Laurent, Alvarez, Pierre, Chartier, Alain

“…Molecular dynamics simulations are carried out to study primary radiation damage in NiCr2O4 and FeCr2O4 spinels, which are part of the corrosion layer of the…”
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Simulation of uranium dioxide polymorphs and their phase transitions by Fossati, Paul C. M., Van Brutzel, Laurent, Chartier, Alain, Crocombette, Jean-Paul

“…In this article first-principles DFT calculations and molecular dynamics simulations using empirical potentials have been used to study four different…”
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Molecular dynamics simulations of high energy cascade in ordered alloys: Defect production and subcascade division by Crocombette, Jean-Paul, Van Brutzel, Laurent, Simeone, David, Luneville, Laurence

“…Displacement cascades have been calculated in two ordered alloys (Ni3Al and UO2) in the molecular dynamics framework using the CMDC (Cell Molecular Dynamics…”
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Extreme ion irradiation of oxide nanoceramics: Influence of the irradiation spectrum by García Ferré, F., Mairov, A., Vanazzi, M., Serruys, Y., Leprêtre, F., Beck, L., Van Brutzel, L., Chartier, A., Beghi, M.G., Sridharan, K., Di Fonzo, F.

“…Oxide nanoceramics combine the enhanced radiation tolerance of nanocrystalline materials with the chemical inertness of oxides, and are promising materials for…”
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Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation by Bertolus, Marjorie, Freyss, Michel, Dorado, Boris, Martin, Guillaume, Hoang, Kiet, Maillard, Serge, Skorek, Richard, Garcia, Philippe, Valot, Carole, Chartier, Alain, Van Brutzel, Laurent, Fossati, Paul, Grimes, Robin W., Parfitt, David C., Bishop, Clare L., Murphy, Samuel T., Rushton, Michael J.D., Staicu, Dragos, Yakub, Eugen, Nichenko, Sergii, Krack, Matthias, Devynck, Fabien, Ngayam-Happy, Raoul, Govers, Kevin, Deo, Chaitanya S., Behera, Rakesh K.

“…This article presents a synthesis of the investigations at the atomic scale of the transport properties of defects and fission gases in uranium dioxide, as…”
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