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Synthesis and Microdiffraction at Extreme Pressures and Temperatures
07:26

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Published on: October 7, 2013

High-pressure--high-temperature polymorphism in ta: resolving an ongoing experimental controversy.

L Burakovsky1, S P Chen, D L Preston

  • 1Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.

Physical Review Letters
|September 28, 2010
PubMed
Summary

High-pressure melting temperatures of refractory metals are debated. New ab initio studies on tantalum suggest observed sample motion in diamond anvil cell (DAC) experiments is due to solid-solid transformation, not melting.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Materials Science

Background:

  • Phase diagrams of refractory metals are largely unknown.
  • Discrepancies exist between diamond anvil cell (DAC) and shock wave experiments regarding high-pressure melting temperatures.

Purpose of the Study:

  • To investigate the high-temperature behavior of tantalum under pressure using ab initio calculations.
  • To resolve the controversy surrounding the melting points of refractory metals.

Main Methods:

  • Extensive ab initio computational study.
  • Analysis of phase transformations in tantalum.

Main Results:

  • The body-centered cubic phase of tantalum transforms to another solid phase (possibly hexagonal omega) at high temperatures.
  • Observed sample motion in DAC experiments is likely caused by solid-solid transformation and associated internal stresses, not melting.

Conclusions:

  • The study clarifies the behavior of tantalum at high pressures and temperatures.
  • Provides a potential explanation for discrepancies in experimental data, attributing observed phenomena to solid-solid phase transitions rather than melting.