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An automated strategy for calculation of phase diagram sections and retrieval of rock properties as a function of physical conditions
Author(s) -
Connolly J. A. D.,
Petrini K.
Publication year - 2002
Publication title -
journal of metamorphic geology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.639
H-Index - 114
eISSN - 1525-1314
pISSN - 0263-4929
DOI - 10.1046/j.1525-1314.2002.00398.x
Subject(s) - inscribed figure , phase diagram , representation (politics) , function (biology) , discretization , phase (matter) , polyhedron , parameterized complexity , computer science , diagram , algorithm , mathematics , geometry , mathematical analysis , physics , quantum mechanics , database , evolutionary biology , politics , political science , law , biology
Abstract We formulate an algorithm for the calculation of stable phase relations of a system with constrained bulk composition as a function of its environmental variables. The basis of this algorithm is the approximate representation of the free energy composition surfaces of solution phases by inscribed polyhedra. This representation leads to discretization of high variance phase fields into a continuous mesh of smaller polygonal fields within which the composition and physical properties of the phases are uniquely determined. The resulting phase diagram sections are useful for understanding the phase relations of complex metamorphic systems and for applications in which it is necessary to establish the variations in rock properties such as density, seismic velocities and volatile‐content through a metamorphic cycle. The algorithm has been implemented within a computer program that is general with respect to both the choice of variables and the number of components and phases possible in a system, and is independent of the structure of the equations of state used to describe the phases of the system.