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Article Dans Une Revue Frontiers of Chemical Science and Engineering Année : 2019

Molecular Dynamics simulations of initial Pd and PdO nanocluster growths in a magnetron gas aggregation source

Résumé

Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by HRTEM analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the MD simulated growth is highlighted.

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Plasmas Matériaux
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hal-01885713 , version 1 (02-10-2018)

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Pascal Brault, William Chamorro-Coral, Sotheara Chuon, Amaël Caillard, Jean-Marc Bauchire, et al.. Molecular Dynamics simulations of initial Pd and PdO nanocluster growths in a magnetron gas aggregation source. Frontiers of Chemical Science and Engineering, 2019, 13 (2), pp.324-329. ⟨10.1007/s11705-019-1792-5⟩. ⟨hal-01885713⟩
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