Search Results - "Celino, M."

Crystal-Like Rearrangements of Icosahedra in Simulated Copper-Zirconium Metallic Glasses and their Effect on Mechanical Properties by Zemp, J, Celino, M, Schönfeld, B, Löffler, J F

“…Indications of the Cu2Zr Laves phase are observed in MD simulations of amorphous Cu64Zr36 upon isothermal holding just above the glass transition temperature…”
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Angular rigidity in tetrahedral network glasses with changing composition by Bauchy, M., Micoulaut, M., Celino, M., Le Roux, S., Boero, M., Massobrio, C.

“…A set of oxide and chalcogenide tetrahedral glasses is investigated using molecular dynamics simulations. We show that the changes in the Ge composition affect…”
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Ultra-Fast High-Precision Metallic Nanoparticle Synthesis using Laser-Accelerated Protons by Barberio, M., Giusepponi, S., Vallières, S., Scisció, M., Celino, M., Antici, P.

“…Laser-driven proton acceleration, as produced during the interaction of a high-intensity (I > 1 × 10 18  W/cm 2 ), short pulse (<1 ps) laser with a solid…”
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Study of solid molecular deuterium D2 growth under gas pressure by Giusepponi, S., Buonocore, F., Celino, M., Lupo Pasini, M., Frattolillo, A., Migliori, S.

“…•Molecular dynamics simulations.•Deuterium.•Cryogenic pellets formation.•De-sublimation process. The injection of high-speed cryogenic pellets made of frozen…”
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Methodological approach to study energetic and structural properties of nanostructured cadmium sulfide by using ab-initio molecular dynamics simulations by Burresi, E., Celino, M.

“…A single wurtzite phase of cadmium sulfide cluster is investigated by ab-initio molecular dynamics simulations at different temperatures, ranging from 100 K to…”
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Strain maps at the atomic scale below Ge pyramids and domes on a Si substrate by Raiteri, P., Miglio, Leo, Valentinotti, F., Celino, M.

“…In this letter, the strain field below uncapped Ge islands of a different shape on a Si(001) substrate is estimated by molecular dynamics simulations at a…”
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Local fivefold symmetry in liquid and undercooled Ni probed by x-ray absorption spectroscopy and computer simulations by Cicco, A. Di, Iesari, F., De Panfilis, S., Celino, M., Giusepponi, S., Filipponi, A.

“…Presence and significance of fivefold configurations in liquid metals are investigated by combining x-ray absorption spectroscopy and computer simulations…”
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Molecular dynamics characterization of icosahedral short range order in undercooled copper by Celino, M.

“…The stability of undercooled simple metals is still an intriguing problem for materials science and technology. There is not consensus on the role played by…”
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2D versus 3D competition at the early stages of growth for Ge on Si(001) by molecular dynamics by Raiteri, P, Celino, M, Valentinotti, F, Miglio, L

“…In this paper, we compare the total energy of equilibrated {105} pyramids, layer by layer films and flat prepyramids appearing in the epitaxial growth of Ge on…”
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Supersoft elastic parameters and low melting temperature of the C49 phase in TiSi2 by Brillouin scattering and molecular dynamics by Miglio, Leo, Iannuzzi, M., Celino, M., Pastorelli, R., Bottani, C., Sabbadini, A., Pavia, G.

“…In this letter, we show that the polymorphic C49 form of TiSi2 has much smaller elastic constants than those of the C54 bulk-stable structure and that its…”
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Molecular dynamics characterization of icosahedral short range order in undercooled copper: Liquid and Amorphous Metals: Current Trends and Future Perspectives by CELINO, M

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First-principles molecular dynamics study of glassy GeS2: Atomic structure and bonding properties by Celino, M., Le Roux, S., Ori, Guido, Coasne, Benoit, Bouzid, A., Boero, M., Massobrio, C.

“…The structure of glassy GeS2 is studied in the framework of density functional theory, by using a fully self-consistent first-principles molecular dynamics…”
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An high performance Fortran implementation of a Tight-Binding Molecular Dynamics simulation by Di Martino, B., Celino, M., Rosato, V.

“…Molecular Dynamics simulations in the Tight-Binding approach allow the study of the ionic and electronic structures of semiconductors. The Tight-Binding codes…”
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On the effect of quench rate on the structure of amorphous carbon by Rosato, V., Celino, M., Colombo, L.

“…We have simulated, via tight binding molecular dynamics (TBMD), the process of the quench from a melt of an atomic scale system of carbon. We have correlated…”
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Atomic model of a palladium nanostructure by Celino, M., D'Agostino, G., Rosato, V.

“…We report on the atomistic modelling and molecular dynamics simulation of several palladium nanostructures characterized by grains of various sizes. The…”
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Atomic-Scale Modeling of the Interaction between Short Polypeptides and Carbon Surfaces by Gianese, Giulio, Rosato, Vittorio, Cleri, Fabrizio, Celino, Massimo, Morales, Piero

“…We performed a comparative study of the adsorption of an in vitro selected peptide on two different carbon surfaces: a flat graphene and a curved (0,15)…”
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Origin of network connectivity and structural units in amorphous SiSe2 by Celino, Massimo, Massobrio, Carlo

“…We elucidate the structural properties of amorphous SiSe2 by first-principles molecular dynamics. The calculated structure factor is in very good agreement…”
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Atomic hydrogen adsorption on a Stone–Wales defect in graphite by Letardi, Sara, Celino, Massimo, Cleri, Fabrizio, Rosato, Vittorio

“…Ab initio electronic structure calculations have been used to evaluate the binding energy of atomic hydrogen to graphite lattice defects. Results show that…”
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Icosahedral superclusters in Cu sub(64) Zr sub(36) metallic glass by Zemp, J, Celino, M, Schonfeld, B, Loffler, J F

“…The presence of superclusters based on Cu-centered icosahedra was studied via classical molecular dynamics simulations in Cu sub(64) Zr sub(36) metallic glass…”
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Icosahedral superclusters in Cu 64 Zr 36 metallic glass by Zemp, J., Celino, M., Schönfeld, B., Löffler, J. F.

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