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In this issue
Global minimization of the Gibbs energy of multicomponent systems Involving the presence of order/disorder phase transitions
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- Article
- Abstract
- Glossary of Symbols
- INTRODUCTION
- I. GFE MINIMIZATION PROBLEM
- II. THE GIBBS PHASE RULE AS AN IMPLICIT CONSTRAINT
- III. ORDER/DISORDER TRANSITIONS IN SOLID SOLUTIONS
- IV. TRIVIAL SOLUTIONS IN DISORDERED SOLID SOLUTIONS
- V. FIRST ESTIMATE ALGORITHM
- VI. STRATEGY FOR FINDING LOCAL MINIMA OF THE GFE
- VII. QUALITY OF THE FIRST ESTIMATE ROUTINE: THE AG-CU-AU AND AL-TI-NB CASE STUDIES
- VIII. PERFORMANCE OF SNOPT, IPOPT AND KNITRO: THE AU-CU CASE STUDY
- IX. MODIFICATIONS OF THE HESSIAN:CVM-FCC IN THE TETRAHEDRON APPROXIMATION CASE STUDY
- X. CONCLUSIONS
- ACKNOWLEDGMENTS
- Appendices
- REFERENCES
- Figures & Data
- Info & Metrics
- References
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