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排序方式: 共有94条查询结果,搜索用时 15 毫秒
1.
Stephan Lowitzer Dan J. Wilson Björn Winkler Victor Milman Julian D. Gale 《Physics and Chemistry of Minerals》2008,35(3):129-135
Knowledge of the defect properties of Lunar and Mercurian minerals has recently become important, with the advent of models
which attempt to explain the formation of the thin exosphere of these celestial bodies. Here, we have calculated the formation
energies of sodium and oxygen vacancies in the mineral albite (NaAlSi3O8), as well as the Schottky defect energy for the removal of a Na2O unit. We have employed both the supercell and Mott–Littleton approaches, using Kohn–Sham density functional theory and classical
interatomic potential methods. As well as reporting the defect energies and structures, we comment upon the relative merits
of the methods used. 相似文献
2.
3.
Victor L. Vinograd Bjoern Winkler Daniel J. Wilson Andrew Putnis Julian D. Gale 《Physics and Chemistry of Minerals》2006,33(8-9):533-544
Static lattice energy calculations, based on empirical pair potentials, were performed for a large set of structures differing in the arrangement of octahedral cations within the garnet 2 × 2 × 2 supercell. The compositions of these structures varied between Ca3Fe2Ge3O12 and Ca4Ge4O12. The energies were cluster expanded using pair and quaternary terms. The derived ordering constants were used to constrain Monte Carlo simulations of temperature-dependent mixing properties in the ranges of 1,073–3,673 K and 0–10 GPa. The free energies of mixing were calculated using the method of thermodynamic integration. The calculations predict a wide miscibility gap between Fe-rich (cubic) and Fe-pure (tetragonal) garnets consistent with recent experimental observations of Iezzi et al. (Phys Chem Miner 32:197–207, 2005). It is shown that the miscibility gap arises due to a very strong cation ordering at the Fe-pure composition, driven by the charge difference between Ca2+ and Ge4+ cations. The structural and thermodynamic analogies between Ca–Ge and Mg–Si systems suggest that a similar miscibility gap should exist between pyrope and Mg–Si-majorite. 相似文献
4.
Stephen E Laubach Jon E Olson Julia F.W Gale 《Earth and Planetary Science Letters》2004,222(1):191-195
Fluid flow in fractured rock is an increasingly central issue in recovering water and hydrocarbon supplies and geothermal energy, in predicting flow of pollutants underground, in engineering structures, and in understanding large-scale crustal behaviour. Conventional wisdom assumes that fluids prefer to flow along fractures oriented parallel or nearly parallel to modern-day maximum horizontal compressive stress, or SHmax. The reasoning is that these fractures have the lowest normal stresses across them and therefore provide the least resistance to flow. For example, this view governs how geophysicists design and interpret seismic experiments to probe fracture fluid pathways in the deep subsurface. Contrary to these widely held views, here we use core, stress measurement, and fluid flow data to show that SHmax does not necessarily coincide with the direction of open natural fractures in the subsurface (>3 km depth). Consequently, in situ stress direction cannot be considered to predict or control the direction of maximum permeability in rock. Where effective stress is compressive and fractures are expected to be closed, chemical alteration dictates location of open conduits, either preserving or destroying fracture flow pathways no matter their orientation. 相似文献
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The complexity of the laws of dynamics governing 3-D atmospheric flows associated with incomplete and noisy observations make the recovery of atmospheric dynamics from satellite image sequences very difficult. In this paper, we address the challenging problem of estimating physical sound and time-consistent horizontal motion fields at various atmospheric depths for a whole image sequence. Based on a vertical decomposition of the atmosphere, we propose a dynamically consistent atmospheric motion estimator relying on a multilayer dynamic model. This estimator is based on a weak constraint variational data assimilation scheme and is applied on noisy and incomplete pressure difference observations derived from satellite images. The dynamic model is a simplified vorticity-divergence form of a multilayer shallow-water model. Average horizontal motion fields are estimated for each layer. The performance of the proposed technique is assessed using synthetic examples and using real world meteorological satellite image sequences. In particular, it is shown that the estimator enables exploiting fine spatio-temporal image structures and succeeds in characterizing motion at small spatial scales. 相似文献
7.
The work of Gale and Hoare (1992) provides a guide to the minimum mass of bulk sample required to obtain a reproducible measure of the complete particle-size distribution of coarse clastic sediments such as till, fluvial gravel and beach gravel. Dunkerley (1994) makes a number of criticisms and misrepresentations of this procedure. These are systematically refuted and corrected here, and further data obtained from till and beach gravel are provided to support the criterion adopted by Gale and Hoare (1992) for sample reliability. The procedure of Gale and Hoare (1992) is confirmed as a practical guide to the mass of bulk sample required to obtain a reliable measure of the particle-size distribution of coarse clastic sediment. 相似文献
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Survey of Nitrate Contamination in Shallow Domestic Drinking Water Wells of the Inner Coastal Plain of Georgia 总被引:1,自引:0,他引:1
Beginning in 1990, 2,588 wells were sampled within the Inner Coastal Plain of Georgia in an effort to assess the quality of ground water in this major farm belt. The project was one aspect of an EPA-sponsored program to assess ground-water quality statewide. Several variables were measured, including pH, specific conductivity, dissolved oxygen, temperature, nitrate, nitrite, total hardness, calcium, magnesium, and bicarbonate. In some wells sulfate, chloride, potassium, iron, and manganese contents were also determined. Particular emphasis was placed, however, on pH, specific conductivity, temperature, and nitrite/nitrate content. Generally, pH was between 6 and 8, and temperatures were within a range of 18° and 24°Celsius. Measurements of specific conductivity varied, but averaged 250–275 microsiemens/cm. Nitrite contamination was negligible, and nitrate contamination of the ground water within the shallow aquifers did not appear to be significant. In fact, 56% of the wells sampled showed no detectable signs of nitrate or nitrite contamination. There were, however, a few isolated wells where nitrate as nitrogen measurements exceeded the EPA's Safe Drinking Water Standard of 10 ppm. The general lack of contamination may be the result of the nature of the agricultural practices used in this region and/or the effect of natural denitrification. 相似文献
10.