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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