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

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

QC 20101217
Original Publication: L. Burakovsky, S. P. Chen, D. L. Preston, A. B. Belonoshko, A. Rosengren, Arkady Mikhaylushkin, Sergey Simak and J. A. Moriarty, High-Pressure-High-Temperature Polymorphism in Ta: Resolving an Ongoing Experimental Controversy, 2010, Physical Review Letters, (104), 25, 255702. http://dx.doi.org/10.1103/PhysRevLett.104.255702 Copyright: American Physical Society http://www.aps.org/
Phase diagrams of refractory metals remain essentially unknown. Moreover, there is an ongoing controversy over the high-pressure melting temperatures of these metals: results of diamond anvil cell (DAC) and shock wave experiments differ by at least a factor of 2. 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. Hence the sample motion observed in DAC experiments is very likely not due to melting but internal stresses accompanying a solid-solid transformation, and thermal stresses associated with laser heating.

Simak, SergeyLinköpings universitet,Teoretisk Fysik,Tekniska högskolan(Swepub:liu)sersi78 (författare)
Preston, D. L.Los Alamos National Laboratory (författare)
Belonoshko, AnatolyKTH,Kondenserade materiens teori,Royal Institute of Technology(Swepub:kth)u14jwox1 (författare)
Rosengren, AndersKTH,Kondenserade materiens teori,Royal Institute of Technology(Swepub:kth)u1puiekn (författare)
Mikhaylushkin, ArkadyLinköpings universitet,Teoretisk Fysik,Tekniska högskolan(Swepub:liu)arkmi35 (författare)
Simak, S. I. (författare)
Moriarty, J. A.Lawrence Livermore National Laboratory (författare)
Los Alamos National LaboratoryTeoretisk Fysik (creator_code:org_t)

Ingår i:Physical Review Letters: American Physical Society104:25, s. 255702-0031-90071079-7114

Av författaren/redakt...: Burakovsky, L.; Simak, Sergey; Preston, D. L.; Belonoshko, Anat ...; Rosengren, Ander ...; Mikhaylushkin, A ...; visa fler...; Simak, S. I.; Moriarty, J. A.; visa färre...

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