Calculating phase diagrams using PANDAT and panengine

PANDAT adopts the same concept of ZPF to trace the phase boundaries. Moreover, at each point on a phase boundary, PANDAT also checks the stability of the phase equilibrium by calculating the lowest Gibbs energy of each phase. If some phases are more stable than the current phase equilibrium, then th...

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Bibliographic Details
Published in:JOM (1989) Vol. 55; no. 12; pp. 48 - 51
Main Authors: Chen, S. -L., Zhang, F., Xie, F. -Y., Daniel, S., Yan, X. -Y., Chang, Y. A., Schmid-Fetzer, R., Oates, W. A.
Format: Journal Article
Language:English
Published: New York Springer Nature B.V 01-12-2003
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Summary:PANDAT adopts the same concept of ZPF to trace the phase boundaries. Moreover, at each point on a phase boundary, PANDAT also checks the stability of the phase equilibrium by calculating the lowest Gibbs energy of each phase. If some phases are more stable than the current phase equilibrium, then the current calculated phase equilibrium is not stable and that calculation is abandoned. When this is the case, a phase equilibrium involving new phases is calculated.
ISSN:1047-4838
1543-1851
DOI:10.1007/s11837-003-0010-5