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Melting of a polycrystalline material
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- Belonoshko, Anatoly B. (author)
- KTH,Kondenserade materiens teori
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- Lukinov, Timofei (author)
- KTH,Kondenserade materiens teori
- Burakovsky, Leonid (author)
- show more...
- Preston, Dean L. (author)
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- (creator_code:org_t)
- 2013-01-31
- 2013
- English.
- In: The European Physical Journal Special Topics. - : Springer Science and Business Media LLC. - 1951-6355 .- 1951-6401. ; 216:1, s. 199-204
- Journal article (peer-reviewed)
Abstract
Subject headings
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- Calculating the melting temperature of a solid with a known model of interaction between atoms is nowadays a comparatively simple task. However, when one simulates a single crystal by molecular dynamics method, it does not normally melt at the melting temperature. Instead, one has to significantly overheat it. Yet, a real material melts at the melting point. Here we investigate the impact of the defects and the grain boundaries on melting. We demonstrate that defects and grain boundaries have similar impact and make it possible to simulate melting in close vicinity of thermodynamic melting temperature. We also show that the Z method might be non-applicable in discriminating a stable submelting phase.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- Argon
Publication and Content Type
- ref (subject category)
- art (subject category)
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- Royal Institute of Technology
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