Founding Research Journal

Founding Research Journal

Calculation of phase diagrams using "Jarvis" algorithm

Document Type : Original Research Article

Author
Mohammad Amin Jabbareh
Department of materials and polymer engineering, Hakim Sabzevari University.
10.22034/frj.2021.292120.1137
Abstract
Phase diagrams are one of the main tools in designing engineering alloys. The calculation of phase diagrams using computational thermodynamics has been of great interest to materials scientists in recent decades. Efforts in the last decades have led to the development of various algorithms for calculating phase diagrams. However, many of the proposed algorithms are either very complex or have limitations in calculating phase diagrams. High computational cost, errors in calculating miscibility gap areas, and inability to distinguish meta-stable equilibrium from stable equilibrium are just some of the limitations of existing algorithms for calculating phase diagrams. Therefore, optimization of existing algorithms or development of new algorithms for calculating phase diagrams has always been of interest to scientists. In the present study, the possibility of using the Jarvis March algorithm to calculate phase diagrams has been investigated. The Jarvis March algorithm is a well-known algorithm in computational geometry for calculating convex hulls. The results show that the proposed algorithm can be successfully used to calculate phase diagrams. The Simplicity of implementation and low computational cost are the main features of the proposed algorithm.
Keywords
Phase diagram
Jarvis algorithm
Computational thermodynamics
Convex hull
Subjects
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  • Receive Date 25 June 2021
  • Revise Date 19 September 2021
  • Accept Date 19 September 2021