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Bottom-up modeling of Al/Ni multilayer combustion: Effect of intermixing and role of vacancy defects on the ignition process

Anne Hémeryck , Jean-Marie Ducéré , Cloé Lanthony , Alain Estève , Carole Rossi , et al.
Journal of Applied Physics, 2013, 113 (20), pp.204301. ⟨10.1063/1.4807164⟩
Journal articles hal-01496631v1

An Atomic Scale Insight into Interface Layers Formation in Al/CuO Nanolaminated Thin Films: a Kinetic Monte Carlo Simulation of Deposition Process

Mathilde Guiltat , Alain Estève , Carole Rossi , Mehdi Djafari-Rouhani , Yves J Chabal , et al.
42nd International Conference On Metallurgical Coatings & Thin Films (ICMCTF 2015), Apr 2015, San Diego, CA, United States
Conference papers hal-01575987v1

Modeling and Simulation in Scicos: A Case Study

Fatima El Guezar , Hassane Bouzahir , Pascal Acco , Karim Afdel , Danièle Fournier-Prunaret
2007 International Symposium on Computational Intelligence and Intelligent Informatics, Mar 2007, Agadir, France. ⟨10.1109/ISCIII.2007.367371⟩
Conference papers hal-01886058v1

A Modeling Tentative of Operation of Gas Sensor through Atomic Scale Insights

Anne Hémeryck , Jean Marie Ducéré , Alain Estève , Mehdi Djafari-Rouhani , Philippe Menini
Gas sensors based on semiconducting metal oxides: basic understanding & application fields ( GSSMO 2015), Jun 2015, Tubingen, Germany
Conference papers hal-02051693v1

On the early stage of aluminum oxidation: An extraction mechanism via oxygen cooperation

Chloé Lanthony , Jean Marie Ducéré , Mehdi Djafari-Rouhani , Anne Hémeryck , Alain Estève , et al.
Journal of Chemical Physics, 2012, 137 (9), pp.094707. ⟨10.1063/1.4746943⟩
Journal articles hal-01690029v1

A kinetic Monte Carlo study of the initial stage of silicon oxidation: Basic mechanisms-induced partial ordering of the oxide interfacial layer

Anne Hémeryck , Alain Estève , Nicolas Richard , Mehdi Djafari-Rouhani , Georges Landa
Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2009, 603 (13), pp.2132-2137. ⟨10.1016/j.susc.2009.04.014⟩
Journal articles istex hal-01575991v1
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Nanoindentation of NiAl and Ni3Al crystals on (100), (110), and (111) surfaces: A molecular dynamics study

Richard Seymour , Anne Hémeryck , Ken-Ichi K Nomura , Weiqiang Wang , Rajiv K Kalia , et al.
Applied Physics Letters, 2014, 104 (14), pp.141904 - 84907. ⟨10.1063/1.4867168⟩
Journal articles hal-01496618v1
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Strain-driven diffusion process during silicon oxidation investigated by coupling density functional theory and activation relaxation technique

Nicolas Salles , Nicolas Richard , Normand Mousseau , Anne Hémeryck
Journal of Chemical Physics, 2017, 147 (5), pp.054701. ⟨10.1063/1.4996206⟩
Journal articles hal-01574755v1

Elementary surface chemistry during CuO/Al nanothermites synthesis: copper and oxygen deposition on aluminium (111) surfaces

Cloé Lanthony , Mathilde Guiltat , Jean-Marie Ducéré , Agnès Verdier , Anne Hémeryck , et al.
ACS Applied Materials & Interfaces, 2014, 6 (17), pp 15086-15097. ⟨10.1021/am503126k⟩
Journal articles hal-01496569v1
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Oxidation of Germanium and Silicon surfaces (100): a comparative study through DFT methodology

Cédric Mastail , Imad Bourennane , Alain Estève , Georges Landa , Mehdi Djafari-Rouhani , et al.
IOP Conference Series: Materials Science and Engineering, 2012, 41, pp.012007. ⟨10.1088/1757-899X/41/1/012007⟩
Journal articles hal-01690020v1