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Simulation of shock-induced melting of Ni using molecular dynamics coupled to a two-temperature model

Abstract:

Using nonequilibrium molecular dynamics (MD) simulations we study shock-induced melting in Ni with an embedded atom method (EAM). Dynamic melting is probed by the pair correlation function, and we find a melting lattice temperature of Tmelt =6400±300 K for a melting pressure of Pmelt =275±10 GPa. When a combined MD+TTM (two-temperature model) approach is used to include electronic heat conduction and electron-phonon coupling, Pmelt and Tmelt change. For a given pressure, the temperature behin...

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Publication status:
Published

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Publisher copy:
10.1103/PhysRevB.74.012101

Authors


Bringa, EM More by this author
Ivanov, DS More by this author
Hawreliak, J More by this author
McNaney, J More by this author
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Journal:
PHYSICAL REVIEW B
Volume:
74
Issue:
1
Publication date:
2006-07-05
DOI:
EISSN:
1550-235X
ISSN:
1098-0121
URN:
uuid:89446b7e-f6a3-464f-97e2-414619307b94
Source identifiers:
151690
Local pid:
pubs:151690
Language:
English

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