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Size dependent melt...
Size dependent melting mechanisms of iron nanoclusters
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Duan, Haiming (author)
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- Ding, Feng, 1970 (author)
- Gothenburg University,Göteborgs universitet,Institutionen för fysik (GU),Department of Physics (GU)
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- Rosen, Arne, 1939 (author)
- Gothenburg University,Göteborgs universitet,Institutionen för fysik (GU),Department of Physics (GU)
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Harutyunyan, Avetik (author)
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Curtarolo, S. (author)
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- Bolton, Kim, 1964 (author)
- Högskolan i Borås,Gothenburg University,Göteborgs universitet,Institutionen för fysik (GU),Department of Physics (GU),Institutionen Ingenjörshögskolan
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(creator_code:org_t)
- Elsevier BV, 2007
- 2007
- English.
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In: CHEMICAL PHYSICS. - : Elsevier BV. - 0301-0104 .- 1873-4421. ; 333:1, s. 57-62
- Related links:
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https://gup.ub.gu.se...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Subject headings
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- Molecular dynamics simulations were used to study the change in the mechanism of iron cluster melting with increasing cluster size. Melting of smaller clusters (e.g., Fe-55 and Fe-100) occurs over a large temperature interval where the phase of the cluster repeatedly oscillates between liquid and solid. In contrast, larger clusters (e.g., Fe-300) have sharper melting points with surface melting preceding bulk melting. The importance of the simulation time, the force field and the definition of cluster melting is also discussed.
Subject headings
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- iron cluster; molecular dynamics; melting mechanism
- modelering kolnanorör
Publication and Content Type
- ref (subject category)
- art (subject category)
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