dorsal/arxiv
View SchemaStructure and energetics of Ni clusters with up to 150 atoms
| Authors | V. G. Grigoryan, M. Springborg |
|---|---|
| Categories | |
| ArXiv ID | physics/0306027 |
| URL | https://arxiv.org/abs/physics/0306027 |
| DOI | 10.1016/S0009-2614(03)00820-0 |
Abstract
We present a method (the Aufbau/Abbau method) for optimizing the structure of a whole series of clusters without making any assumptions on the structure. Subsequently, the method is combined with the embedded-atom method in determining the structure of the two energetically lowest isomers of Ni_N clusters with N up to 150. Finally, various analytical descriptors are introduced that are used in studying the overall shape of the clusters, their structure and stability, and possible growth and dissociation processes.
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"abstract": "We present a method (the Aufbau/Abbau method) for optimizing the structure of\na whole series of clusters without making any assumptions on the structure.\nSubsequently, the method is combined with the embedded-atom method in\ndetermining the structure of the two energetically lowest isomers of Ni_N\nclusters with N up to 150. Finally, various analytical descriptors are\nintroduced that are used in studying the overall shape of the clusters, their\nstructure and stability, and possible growth and dissociation processes.",
"arxiv_id": "physics/0306027",
"authors": [
"V. G. Grigoryan",
"M. Springborg"
],
"categories": [
"physics.atm-clus",
"physics.chem-ph"
],
"doi": "10.1016/S0009-2614(03)00820-0",
"title": "Structure and energetics of Ni clusters with up to 150 atoms",
"url": "https://arxiv.org/abs/physics/0306027"
},
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