Search Results - "Politano, Olivier"
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Mechanical activation of metallic powders and reactivity of activated nanocomposites: a molecular dynamics approach
Published in Applied physics. A, Materials science & processing (01-07-2021)“…This work provides a description, at the atomic level, of a mechanical treatment on a mixture composed of two metallic powders. We used molecular dynamics to…”
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A Molecular Dynamics Study of Ag-Ni Nanometric Multilayers: Thermal Behavior and Stability
Published in Nanomaterials (Basel, Switzerland) (01-07-2023)“…Nanometric multilayers composed of immiscible Ag and Ni metals were investigated by means of molecular dynamics simulations. The semi-coherent interface…”
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Nanojoining of TiAl with Ni-Al Reactive Multilayer Nanofoils: A Molecular Dynamics Study
Published in Journal of materials engineering and performance (14-11-2024)Get full text
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Laser textured titanium surface characterization
Published in Applied surface science (01-06-2022)“…[Display omitted] •Analysis of surface topography as a function of laser texturing parameters.•Demonstration of the cumulative effect of laser pulse number on…”
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SHS in Ni/Al Nanofoils: A Review of Experiments and Molecular Dynamics Simulations
Published in Advanced engineering materials (01-08-2018)“…Non‐isothermal processes in nanometric metallic multilayers are reviewed, both experimentally and theoretically. The Ni/Al nanofoil is considered as a model…”
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ReaxFF molecular dynamics simulation study of nanoelectrode lithography oxidation process on silicon (100) surface
Published in Applied surface science (01-12-2019)“…The nanoelectrode lithography has been strengthened in recent years as one of the most promising methods due to its high reproducibility, low cost and ability…”
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Atomistic Simulations of the Crystalline-to-Amorphous Transformation of γ‑Al2O3 Nanoparticles: Delicate Interplay between Lattice Distortions, Stresses, and Space Charges
Published in Langmuir (09-05-2023)“…The size-dependent phase stability of γ-Al2O3 was studied by large-scale molecular dynamics simulations over a wide temperature range from 300 to 900 K. For…”
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Effects of mechanical activation on chemical homogeneity and contamination level in dual-phase AlCoCrFeNi high entropy alloy
Published in Materials chemistry and physics (01-11-2021)“…AlCoCrFeNi High Entropy Alloys were here synthesized by the combination of Planetary Ball Milling and Spark Plasma Sintering at 1100 °C. The relatively low…”
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Atomistic Simulations of the Crystalline-to-Amorphous Transformation of γ-Al 2 O 3 Nanoparticles: Delicate Interplay between Lattice Distortions, Stresses, and Space Charges
Published in Langmuir (09-05-2023)“…The size-dependent phase stability of γ-Al O was studied by large-scale molecular dynamics simulations over a wide temperature range from 300 to 900 K. For the…”
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Effect of hydrogen on the chemical state, stoichiometry and density of amorphous Al 2 O 3 films grown by thermal atomic layer deposition
Published in Surface and interface analysis (01-05-2024)“…Amorphous oxide thin films grown by thermal atomic layer deposition (ALD) typically contain high impurity concentrations of hydrogen, which affects both…”
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Directional solidification of Cu with dispersed W nanoparticles: A molecular dynamics study in the context of additive manufacturing
Published in Materialia (01-08-2024)“…Directional solidification, resulting in the development of columnar grains, is prevalent in laser-additive manufacturing of metal parts. The addition of grain…”
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Effect of hydrogen on the chemical state, stoichiometry and density of amorphous Al2O3 films grown by thermal atomic layer deposition
Published in Surface and interface analysis (01-05-2024)“…Amorphous oxide thin films grown by thermal atomic layer deposition (ALD) typically contain high impurity concentrations of hydrogen, which affects both…”
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Reactive Molecular Dynamics of the Initial Oxidation Stages of Ni(111) in Pure Water: Effect of an Applied Electric Field
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06-12-2012)“…Corrosion processes occurring in aqueous solutions are critically dependent upon the interaction between the metal electrode and the solvent. In this work, the…”
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Molecular dynamics simulations of nanometric metallic multilayers: Reactivity of the Ni-Al system
Published in Physical review. B, Condensed matter and materials physics (12-07-2011)“…The reactivity of a layered Ni-Al-Ni system is studied by means of molecular dynamics simulations, using an embedded-atom method type potential. The system,…”
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Variable-charge method applied to study coupled grain boundary migration in the presence of oxygen
Published in Acta materialia (01-04-2009)“…One of the important differences between simulation and experiments in grain boundary (GB)-dominated metallic structures is the lack of impurities such as…”
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Nanoscale oxide growth on Al single crystals at low temperatures: Variable charge molecular dynamics simulations
Published in Physical review. B, Condensed matter and materials physics (01-01-2006)“…We investigate the oxidation of aluminum low-index surfaces [(100), (110), and (111)] at low temperatures (300-600 K) and three different gas pressure values…”
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Effect of hydrogen on the local chemical bonding states and structure of amorphous alumina by atomistic and electrostatic modeling of Auger parameter shifts
Published 15-08-2024“…This study discloses the effect of hydrogen impurities on the local chemical bonding states and structure of amorphous alumina films by predicting measured…”
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Quenched molecular dynamics studies on the extraction energy of aluminum atoms
Published in Surface and interface analysis (01-03-2008)“…The extraction energy of an aluminum atom is calculated at 0 K as a function of coordination number and defect depth for three surface orientations [(100),…”
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Atomistic simulations of the crystalline-to-amorphous transformation of gamma-Al2O3 nanoparticles: delicate interplay between lattice distortions, stresses, and space charges
Published 29-11-2022“…The size-dependent phase stability of gamma-Al2O3 was studied by large-scale molecular dynamics simulations over a wide temperature range from 300 to 900 K…”
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