The Effect of Pt Cluster Size on Micro-Morphology of PEMFC Catalyst Layers- A Molecular Dynamics Simulation

2019 ◽  
Vol 16 (2) ◽  
pp. 1405-1411 ◽  
Author(s):  
Chin-Hsien Cheng ◽  
Kourosh Malek ◽  
Ned Djilali
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Cluster Size ◽  
Dynamics Simulation ◽  
Catalyst Layers ◽  
Pt Cluster ◽  
Micro Morphology

MOLECULAR-DYNAMICS SIMULATION OF SURFACE SPUTTERING BY ENERGETIC RARE-GAS CLUSTER IMPACT

1996 ◽  
Vol 03 (01) ◽  
pp. 1023-1027 ◽  
Author(s):  
Z. INSEPOV ◽  
I. YAMADA
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Cluster Size ◽  
Silicon Surfaces ◽  
Dynamics Simulation ◽  
Cluster Ions ◽  
Rare Gas ◽  
Cluster Energy ◽  
Small Clusters ◽  
Surface Sputtering

The molecular-dynamics simulation is used for simulation of sputtering of gold and silicon surfaces by accelerated [Formula: see text] cluster ions with n~55–200 and energies of 10–100 eV per cluster atom. The sputtering yield Y can be described by a power dependency Y ∝E2.35 on the total cluster energy. The result of the calculation agrees with the experimental data point at the energy of 29 keV and cluster size of 300 Ar atoms. The simulation shows that the sputtered flux has a significant lateral-momentum component and the sputtered surface materials contain not only atoms but also small clusters.

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