Computer Science
Scientific paper
Jun 1996
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1996gecoa..60.2075s&link_type=abstract
Geochimica et Cosmochimica Acta, vol. 60, Issue 12, pp.2075-2086
Computer Science
Scientific paper
A kinetic model for describing the site occupancies of a cation at three nonequivalent sites in minerals has been presented as follows x i = c i 0 + c i 1 e 2 t + c i 2 e 2 t ( i = 1, 2, 3), where x i is the site occupancy of a given cation at site s i , and c i 0 (>0), c i 1 , c i 2 , 1 and 2 are constants at a given temperature and composition of the mineral. The two lemmas concerning three-site ordering-disordering indicate that 1 and 2 are either negative or complex-valued, and that they guarantee the convergence of the site occupancies with increasing time. The conditions for extrema have been given in the paper. The greatest difference between two-site and three-site order-disorder processes is that two-site ordering-disordering only occurs as either a monotonously increasing function or a monotonously decreasing function of time at a given initial total composition and temperature, while three-site order-disorder kinetics may have local minima or maxima.
Chappell Bruce W.
Sha Lian-Kun
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