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Comment on ``Molybdenum at High Pressure and Temperature: Melting from Another Solid Phase''
 

Summary: Comment on ``Molybdenum at High Pressure and
Temperature: Melting from Another Solid Phase''
There has been a major controversy over the past seven
years about the high-pressure melting curves of transition
metals. Static compression [diamond-anvil cell (DAC)]
experiments up to the megabar region give very low melt-
ing slopes dTm=dP, but shock-wave (SW) data reveal
transitions indicating much larger dTm=dP values.
Ab initio calculations support the correctness of the shock
data. In a very recent Letter [1], Belonoshko et al. propose
a simple and elegant resolution of this conflict for molyb-
denum. Using ab initio calculations based on density func-
tional theory, they show that the high-P or high-T phase
diagram of Mo must be more complex than was hitherto
thought. Their calculations give convincing evidence that
there is a transition boundary between the normal bcc
structure of Mo and a high-T phase, which they suggest
could be fcc. They propose that this transition was mis-
interpreted as melting in DAC experiments [2]. In confir-
mation, they note that their boundary also explains a

  

Source: Alfè, Dario - Departments of Earth Sciences & Physics and Astronomy, University College London

 

Collections: Physics; Geosciences