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A molecular dynamics study of homogeneous crystal nucleation in liquid nitrogen

✍ Scribed by J.-M. Leyssale; J. Delhommelle; C. Millot

Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
245 KB
Volume
375
Category
Article
ISSN
0009-2614

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✦ Synopsis

The crystal nucleation of nitrogen is studied by molecular dynamics. Using the umbrella sampling technique, we are able to determine the free energy barrier of nucleation and the structure of the critical nucleus formed under typical experimental supercoolings. In agreement with OstwaldΓ•s Γ”step ruleΓ•, nucleation is shown to proceed into an orientationally disordered cubic phase instead of the thermodynamically stable hexagonal b phase. We also give an account of the system size dependence of the free energy profiles so obtained.

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