By J. D. Kubicki, A. C. Lasaga (auth.), J. Ganguly (eds.)
One of the basic ambitions of actual geochemistry is to appreciate the evolution of geochemical platforms from microscopic to nearby and worldwide scales. at this time there seems a common attractiveness of the truth that inner homes of minerals checklist vital facets of the evolutionary historical past in their host rocks that may be unraveled by means of very advantageous scale observations. an enormous concentration within the improvement of geochemical examine within the final thirty years has been the appliance of classical thermodynamics to reconstruct the stipulations at which the states of quenched mineralogical homes of rocks have equilibrated through the process their evolution. whereas those works have funda mentally prompted our knowing ofthe physico-chemical heritage ofrocks, lately petrologists, mineralogists, and geochemists were making larger efforts in the direction of the appliance of kinetic theories with a purpose to strengthen a greater appreciation of the temporal info of geochemical methods. the current quantity brings jointly numerous present learn on shipping in structures of geochemical curiosity from atomic to outcrop scales. an incredible topic is atomic migration or diffusion, and its quite a few manifestations on microscopic and macroscopic scales. shipping within the strong nation is managed by means of diffusion and is answerable for the states of atomic ordering and leisure of composi tional zoning in minerals, improvement of compositional zoning in the course of cooling, exsolution lamellae, and creep.
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Additional resources for Diffusion, Atomic Ordering, and Mass Transport: Selected Topics in Geochemistry
43). For example, Barker and Henderson (1976) give results for solid and fluid argon in excellent agreement with experimental data. Welch et al. (1978) applied eq. (43) to predict successfully the equation-of-state of body-centered cubic iron with a Morse potential at high pressures and temperatures. In particular, MD simulations were applied to study the variation of the Gruneisen parameter with temperature and density. , (8K o/8Ph). From thermodynamics, we know that at constant temperature, dA = -PdV.
Heavy mass limit), the Brownian particle is held fixed in space during the MD trajectory and the force on it computed as the other smaller particles are allowed to move about. An example of this type of calculation is given in Wilson et al. (1985) who verified the appropriateness of the Brownian description of Na+ diffusion in water. Such calculations would be useful for silicate melts. An important related set of functions are the Fourier transforms of the correlation functions. For example, the function D(w) = LX) exp[iwr] 385-410. Princeton University Press, Princeton, NJ. G. (1985) Canonical dynamics: Equilibrium phase-space distributions. Phys. Rev. A 31,1695-1697. , and Moran, B. (1982) High-strain-rate plastic flow studied via non-equilibrium molecular dynamics. Phys. Rev. Lett. 48,1818-1820. K. (1979) The Chemistry of Silica. Wiley, New York. R. (1983) Hydration and mobility of ions in solution. J. Phys. Chem. 87, 5071-5083. , and Yasui, I. (1986) A molecular dynamics simulation of the structure of silicate glasses.
Diffusion, Atomic Ordering, and Mass Transport: Selected Topics in Geochemistry by J. D. Kubicki, A. C. Lasaga (auth.), J. Ganguly (eds.)
385-410. Princeton University Press, Princeton, NJ. G. (1985) Canonical dynamics: Equilibrium phase-space distributions. Phys. Rev. A 31,1695-1697. , and Moran, B. (1982) High-strain-rate plastic flow studied via non-equilibrium molecular dynamics. Phys. Rev. Lett. 48,1818-1820. K. (1979) The Chemistry of Silica. Wiley, New York. R. (1983) Hydration and mobility of ions in solution. J. Phys. Chem. 87, 5071-5083. , and Yasui, I. (1986) A molecular dynamics simulation of the structure of silicate glasses.