Thermodynamics of high-pressure ice phases explored with atomistic simulations

HIGHLIGHTS

• who: Aleks Reinhardt from the (UNIVERSITY) have published the research: Thermodynamics of high-pressure ice phases explored with atomistic simulations, in the Journal: (JOURNAL) of 24/03/2022
• what: The authors investigate whether there are structural differences between these bcc-based ices or if any differences arise entirely from the dynamics of the H atoms, and whether phase transitions between them are of first order. In Fig 1a, the authors show the low-pressure phase behaviour of the system alongside a line indicating where a discontinuity in density and enthalpy occurs in brute-force simulations . . .
  

   

  

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