Citation: WANG Kun, LIU Juan-Fang, CHEN Qing-Hua. Molecular Dynamics Simulation of Pd Clusters Deposited on Pd/Ag Substrates[J]. Acta Physico-Chimica Sinica, ;2015, 31(11): 2091-2098. doi: 10.3866/PKU.WHXB201509153 shu

Molecular Dynamics Simulation of Pd Clusters Deposited on Pd/Ag Substrates

WANG Kun ^1,2 ,
LIU Juan-Fang ^1,2,, ,
CHEN Qing-Hua ^1,2

1.
1 College of Power Engineering, Chongqing University, Chongqing 400044, P. R. China;
2.
2 Key Laboratory of Low-Grade Energy Utilization Technologies and Systems, Ministry of Education, Chongqing University, Chongqing 400044, P. R. China

Corresponding author: LIU Juan-Fang,
Received Date: 6 July 2015
Available Online: 15 September 2015
Fund Project: 国家自然科学基金(51206196)资助项目 (51206196)

Using molecular dynamics simulations, we investigated the microscopic processes of large palladium clusters deposited on Pd/Ag substrates at different incident velocities at the room temperature. We studied the impact process by analyzing the deposited morphology, embedded depth, diffusion degree of the cluster atoms, temperature variation in the collision region on the substrate, and energy conversion between the cluster and substrate. This analysis yielded the change rules of the deposited morphology, structural characteristics, and energy conversion for various cluster sizes, incident velocities, and substrates. Furthermore, we explored the deformation morphology of the first deposited cluster and the temperature of the collision contact region for various impact times of the second cluster. Shortening the impact time of the second cluster caused the clusters and substrate to better combine.
- Molecular dynamics simulation,
- Impact process,
- Bigger cluster,
- Deformation morphology,
- Energy transformation
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