Digitale Medien
s.l. ; Stafa-Zurich, Switzerland
Solid state phenomena
Vol. 138 (Mar. 2008), p. 331-338
ISSN:
1662-9779
Quelle:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Thema:
Physik
Notizen:
A computational method has been proposed for calculating the correct interaction parametersfrom experimental phase diagrams, despite reports that this problem was believed to be a"thermodynamically incorrect” one. It has been shown that the presumed difficulties are not offundamental importance. An original computer program has been applied to two well-knownsystems Bi – Sb (1) and Bi2Te3 – Sb2Te3 (2), and a good agreement between calculated andobserved values has been achieved. The values of interaction parameters [removed info]s= 7.1 ± 0.4, [removed info]l= 1.56 ±0.09 kJ mol-1 for (1) and [removed info]s = 5.9 ± 2.5, [removed info]l = 3.9 ± 2.5 kJ mol-1 for (2) have been found. The resultshave been analyzed and their statistical reliability has been established. In addition, the possibilitiesof calculating the liquidus curve from only the solidus experimental data the solidus from theliquidus experimental data have been demonstrated. It has been found that the prediction of liquidusfrom solidus is much more successful than predicting the solidus from the liquidus.The results allow one to determine with reliance that the backward problem of modeling regularsolutions for finding thermodynamic interaction parameters can be solved correctly. The calculatedparameters can be used for both the computational restoration of missing pieces of the experimentalphase equilibrium diagrams of binary and multinary systems and for the recognition of the physicalnature of regular solutions
Materialart:
Digitale Medien
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/24/transtech_doi~10.4028%252Fwww.scientific.net%252FSSP.138.331.pdf
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