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A model calculation for the α-α' phase transition in metal-hydrogen systems

H Horner and H Wagner

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The 'gas-liquid' ( alpha - alpha ') part of the phase diagram of hydrogen dissolved in metals is calculated and compared with experiments for H in Nb. The underlying lattice model includes a hard-core repulsion protons and an elastic interaction mediated by the host metal lattice. The long-range part of this interaction is treated in mean-field approximation. Low-density cluster expansions and Monte Carlo calculations are investigated for the hard-core repulsion and the microscopic part of the elastic interaction. Reasonable agreement with experimental data is obtained if the microscopic contribution of the elastic interaction is properly taken into account.


PACS

64.70.F- Liquid–vapor transitions

65.40.G- Other thermodynamical quantities

62.20.F- Deformation and plasticity

61.72.J- Point defects and defect clusters

Subjects

Condensed matter: structural, mechanical & thermal

Dates

Issue 18 (21 September 1974)



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