Jean-Marc Leyssale

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The goal of this paper is to evaluate non-parametric algorithms that achieve 3D texture synthesis from a single 2D sample. The algorithms under study are variants of the algorithm proposed by Wei and Levoy [1]. Several authors have proposed different algorithms that intend to better reproduce, in the output texture, the diversity learned in the input(More)
We report on results on the crystal nucleation and growth of nitrogen. Using molecular dynamics simulations, we show that while nucleation proceeds into the metastable alpha-phase (i.e., the crystalline phase associated with the lowest free energy barrier of formation), growth of the crystallite proceeds through a reorganization of the nucleus into the(More)
The goal of this paper is to evaluate several extensions of Wei and Levoy’s algorithm [1] for the synthesis of laminar volumetric textures constrained only by a single 2D sample. Hence, we shall also review in a unified form the improved algorithm proposed by Kopf et al.[2] and the particular histogram matching approach of Chen and Wang [3]. Developing a(More)
We report on atomistic models of laminar pyrocarbons constructed using a combination of 2D high resolution transmission electron microscopy (HRTEM) lattice fringe image analysis, 3D image synthesis and atomistic simulated annealing. In a first step, the effectiveness of the method and the convergence of the models with respect to the quench rate are checked(More)
We report on various nanocarbons formed from a unique structural pattern containing two pentagons, three hexagons, and two heptagons, resulting from local rearrangements around a divacancy in pristine graphene, or nanotubes. This defect can be inserted in sheets or tubes either individually or as extended defect lines. Sheets or tubes containing only this(More)
The thermodynamic properties and siting of carbon dioxide and methane sorbed in the siliceous form of zeolite MCM-22, ITQ-1, were studied by means of grand canonical Monte Carlo simulation. ITQ-1 comprises two independent pore systems of different geometry. It was found to be CO(2)-selective toward CO(2)/CH(4) gas mixtures, its equilibrium selectivity being(More)
The self-referential method [M. B. Sweatman, Phys. Rev. E 72, 016711 (2005)] for calculating the free energy of crystalline solids via molecular simulation is combined with thermodynamic integration to produce a technique that is convenient and efficient. Results are presented for the chemical potential of hard sphere and Lennard-Jones face centered cubic(More)
The self-referential (SR) method incorporating thermodynamic integration (TI) [Sweatman et al., J. Chem. Phys. 128, 064102 (2008)] is extended to treat systems of rigid linear bodies. The method is then applied to obtain the canonical ensemble Helmholtz free energy of the alpha-N(2) and plastic face centered cubic phases of systems of hard and Lennard-Jones(More)
Jean-Marc Leyssale, Jean-Pierre da Costa, Christian Germain, Patrick Weisbecker, Antoine Villesuzanne , Gérard Vignoles a Laboratoire des Composites ThermoStructuraux (LCTS), UMR 5801 – CNRS/CEA/Snecma Propulsion Solide/Université Bordeaux 1 – 3 allée de la Boetie, 33600 Pessac, France. b Laboratoire d’Intégration du Matériau au Système (IMS), UMR 5218 –(More)
Even though polycrystalline graphene has shown a surprisingly high tensile strength, the influence of inherent grain boundaries on such property remains unclear. We study the fracture properties of a series of polycrystalline graphene models of increasing thermodynamic stability, as obtained from a long molecular dynamics simulation at an elevated(More)