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Foundation :: Engineering Applications :: SUPER PHACOMP


Sigma Phase Prediction

stirrup graphic Moderators:
William Kaukler
Total downloads from Open Channel to date: 4
source code available SOURCE CODE AVAILABLE

An iron-, nickel-, or cobalt-based alloy composition can cause the alloy to form sigma phase when treated at high temperatures. Any sigma phase formation is undesirable when working with these materials, because it weakens the alloy. The PHACOMP algorithm was developed from the need to screen any hypothetical or developmental alloy for either sigma phase formation or the propensity for such formation. Based only on the alloy composition the algorithm is able to predict sigma phase formation.

SUPER PHACOMP was developed after research into the many variations of the PHACOMP algorithm. The resulting program implements three of these versions, permitting comparison of results to give greater reliability to the predictions. Since certain calculations are common to each, the three versions were woven together for efficiency. While sigma phase prediction is its primary function, SUPER PHACOMP also performs other calculations of alloy properties. This program could benefit anyone working with alloy design.

The sigma formation prediction is based upon the energy densities of the alloy elements. A PHACOMP number based on Pauling's density of states predictions has been assigned to each of the transition elements. SUPER PHACOMP first reduces the alloy to the gamma phase and then calculates a weighted sum of the PHACOMP numbers assigned to the corresponding elements of the alloy. Accompanying each of these values is the prediction of sigma phase formation for each of the three weighting methods used.

SUPER PHACOMP provides additional calculations of the Stacking Fault Energy of the austenitic phase and of Gamma-Prime phase weight. Also, it identifies the alloy as being nickel-, cobalt-, or iron-based and calculates the carbide content.

SUPER PHACOMP carries the NASA case number MFS-26164. It was originally released as part of the COSMIC collection.
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