12 research outputs found
First-principles study of the structural energetics of PdTi and PtTi
The structural energetics of PdTi and PtTi have been studied using
first-principles density-functional theory with pseudopotentials and a
plane-wave basis. We predict that in both materials, the experimentally
reported orthorhombic phase will undergo a low-temperature phase
transition to a monoclinic ground state. Within a soft-mode framework,
we relate the structure to the cubic structure, observed at high
temperature, and the structure to via phonon modes strongly
coupled to strain. In contrast to NiTi, the structure is extremely close
to hcp. We draw on the analogy to the bcc-hcp transition to suggest likely
transition mechanisms in the present case.Comment: 8 pages 5 figure
Silence and the commodification of UK academic accounting labour
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