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An atomistic model ...
An atomistic model for homogeneous melting
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- Davis, Sergio (författare)
- KTH,Materialvetenskap,Applied Material Physics
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- Belonoshko, Anatoly (författare)
- KTH,Teoretisk fysik,Condensed Matter Theory
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- Rosengren, Anders (författare)
- KTH,Teoretisk fysik,Condensed Matter Theory
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- Johansson, Börje (författare)
- KTH,Materialvetenskap,Applied Material Physics
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(creator_code:org_t)
- Engelska.
- Relaterad länk:
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https://kth.diva-por... (primary) (Raw object)
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- The diffusion statistics of atoms in a crystal close to the critical superheating temperature wasstudied in detail using molecular dynamics (MD) and Monte Carlo (MC) simulations. We present ageneral dynamic percolation model for diffusion of atoms hopping through thermal vacancies. Theresults obtained from our model suggest that the limit of superheating is precisely the temperaturefor which dynamic percolation happens at the time scale of a single individual jump. We show thatthis prediction of the critical superheating temperature can give an estimate of the melting pointusing only the dynamical properties of the solid state.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
Nyckelord
- Materials science
- Teknisk materialvetenskap
Publikations- och innehållstyp
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