High Pressure - High Temperature Polymorphism in Ta: Resolving an Ongoing Experimental Controversy

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Phase diagrams of refractory metals remain essentially unknown. Moreover, there is an ongoing controversy over the high pressure (P) melting temperatures of these metals: results of diamond anvil cell (DAC) and shock wave experiments differ by at least a factor of two. From an extensive ab initio study on tantalum we discovered that the body-centered cubic phase, its physical phase at ambient conditions, transforms to another solid phase, possibly hexagonal omega phase, at high temperature (T). Hence the sample motion observed in DAC experiments is not due to melting but internal stresses accompanying a solid-solid transformation, as explained in more ... continued below

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Burkovsky, L; Chen, S P; Preston, D L; Belonoshko, A B; Rosengren, A; Mikhaylushkin, A S et al. April 7, 2010.

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Phase diagrams of refractory metals remain essentially unknown. Moreover, there is an ongoing controversy over the high pressure (P) melting temperatures of these metals: results of diamond anvil cell (DAC) and shock wave experiments differ by at least a factor of two. From an extensive ab initio study on tantalum we discovered that the body-centered cubic phase, its physical phase at ambient conditions, transforms to another solid phase, possibly hexagonal omega phase, at high temperature (T). Hence the sample motion observed in DAC experiments is not due to melting but internal stresses accompanying a solid-solid transformation, as explained in more detail in our work. In view of our results on tantalum and previous work on molybdenum, as well as other published data, it is highly plausible that high-PT polymorphism is a general feature of Groups V and VI refractory metals.

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PDF-file: 17 pages; size: 0.4 Mbytes

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  • Journal Name: Physical Review Letters, vol. 104, no. 25, June 21, 2010, pp. 225702; Journal Volume: 104; Journal Issue: 25

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  • Report No.: LLNL-JRNL-427360
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 1015402
  • Archival Resource Key: ark:/67531/metadc847019

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  • April 7, 2010

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  • May 19, 2016, 3:16 p.m.

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  • Nov. 29, 2016, 12:36 p.m.

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Burkovsky, L; Chen, S P; Preston, D L; Belonoshko, A B; Rosengren, A; Mikhaylushkin, A S et al. High Pressure - High Temperature Polymorphism in Ta: Resolving an Ongoing Experimental Controversy, article, April 7, 2010; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc847019/: accessed October 20, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.