Defect properties of albite     

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   

Monte Carlo simulation of mixing in Ca3Fe2Ge3O12–Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope–majorite solid solution     

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   

Are open fractures necessarily aligned with maximum horizontal stress?     

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 S_Hmax. 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 S_Hmax 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   

Atomistic simulation of Mg2SiO4 and Mg2GeO4 spinels: a new model     

M. Blanchard  K. Wright  J. D. Gale 《Physics and Chemistry of Minerals》2005,32(5-6):332-338

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Reply: Bulk sampling of coarse clastic sediments for particle-size analysis     

Stephen J. Gale  Peter G. Hoare 《地球表面变化过程与地形》1994,19(3):263-268

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   

A Laboratory and Numerical Investigation of Solute Transport in Discontinuous Fracture Systems   总被引：2，自引：0，他引：2  

J. W. Robinson  J. E. Gale 《Ground water》1990,28(1):25-36

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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  

Maureen A. Stuart  Fredrick J. Rich  Gale A. Bishop 《Ground water》1995,33(2):284-290

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   

Tektites: V.E. Barnes and M.A. Barnes, 1973. Benchmark Papers in Geology (Edited by R.W. Fairbridge). Dowden,Hutchinson and Ross,Stroudsburg, Pa., xv + 455 pp., £ 10.00     

Noel H. Gale 《Earth》1975,11(2):180-181

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EXPLORING SPATIAL FAMILIARITY*     

Nathan Gale  Reginald G. Golledge  William C. Halperin  Helen Couclelis 《The Professional geographer》1990,42(3):299-313

Spatial familiarity is a natural language concept that has no well-defined technical interpretation. We explore here some possible dimensions of the concept, provide subjective measurements of the dimensions, and evaluate their independence. The four dimensions examined are locational knowledge, visual recognition, name identification, and interaction frequency. We suggest that both cognitive and behavioral dimensions are embedded in the concept of spatial familiarity and must be part of the meaning of the concept and of any attempt to make it operational.  相似文献   

Dynamical investigation of minor resonances for space debris     

Alessandra Celletti  Cătălin Galeş 《Celestial Mechanics and Dynamical Astronomy》2015,123(2):203-222

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