The lowest energy equilibrium structures for Lennard -Jones alloy clusters are obtained by means of simulated annealing techniques within the Langevin molecular dynamics formalism. By adjusting the sizes of and the interaction between like and unlike species in the potential energy functional form,
Theoretical Exploration of Ultrafast Dynamics in Atomic Clusters: Analysis and Control
β Scribed by Vlasta Bonacic-Koutecky; Roland Mitric
- Publisher
- John Wiley and Sons
- Year
- 2005
- Weight
- 8 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0931-7597
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π SIMILAR VOLUMES
## Abstract A new waveletβthreshold criterion was developed to distinguish the cluster and the void phases from the transient solids holdup/concentration fluctuation signals when measured in a 108 mmβi.d. Γ 5.75 mβhigh circulating fluidized bed with FCC particles (d~p~ = 78 ΞΌm, Ο~p~ = 1,880 kg/m^3^
## Geometric parameters and energies have been calculated for the ground and first excited states of the gold dimer using effective core potentials (ECPs) and a range of standard density functional theory (DFT) models. After initial evaluation, the B3P86 theoretical model was the procedure employed