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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
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饱和粉砂不稳定性的试验研究 总被引:3,自引:0,他引:3
通过对净砂和级配良好粉砂(含10 %粉土)进行一系列三轴固结不排水试验(CU),研究了粉土、孔隙比和围压对饱和粉砂不稳定性的影响。试验结果表明,净砂与粉砂在不排水剪切条件下均会出现应变软化现象(即不稳定性)。同一围压下脆性指数(IB)随孔隙比增加,但不稳定线的应力比随孔隙比增加而减小。引用等效粒间孔隙比(ege)后,净砂和粉砂在ege-ln p?平面上拥有基本相同的临界状态线。在临界状态理论及等效粒间孔隙比的基础上,提出在同一修正状态参数(?ge)下净砂和级配良好粉砂有相似的不稳定性。 相似文献
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1 .Introduction Submarine pipelines are one of the safest and the least environmentally disruptive means for ma-rine gas or oil transport . With the development of exploitation of submarine oil or gas ,the safety ofsubmarine pipelines has becomethe major … 相似文献
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Neutron irradiation and post-irradiation annealing under oxidising and reducing conditions have been used to investigate H incorporation in, and the optical properties of, reduced (TiO2−x
) rutile. Optical absorption in rutile is mainly due to a Ti3+ Ti4+ intervalence charge transfer effect. The main mechanism for H incorporation in rutile involves interstitial H not coupled to other defects, which has important implications for the rate of H diffusion, and possibly also on the electrical properties of rutile. Additional minor OH absorption bands in IR spectra indicate that a small amount of interstitial H is coupled to defects such as Ti3+ on the main octahedral site, and indicates that more than one H incorporation mechanism may operate. Concentration of oxygen vacancies has a controlling influence on the H affinity of rutile. 相似文献
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A natural montmorillonite containing radiation-induced defects was studied with Electron Paramagnetic Resonance (EPR) spectroscopy (X- and Q-band). A first dominant native defect, namely native defect 1, is identified. It gives rise to an orthorhombic spectrum with gx= 2.004 ± 0.005 gy= 2.010 ± 0.003, gz= 2.065 ± 0.002. Simulation of the EPR spectrum at X- and Q-band reveals a second native defect with isotropic spectrum at g= 2.019 ± 0.005. Both are electron holes trapped on oxygen atoms of the structure. The native defect 1 is located on an oxygen-silicon bond or a non-bonding orbital parallel to the c* axis. These defects are annealed at 500°C and the half-life determined for native defect 1 is circa 3,000 years. Irradiations with beta rays produced two additional hole centers of lower stability and distinct EPR parameters. Artificial irradiations show that montmorillonite can be used as a dosimeter in a large dose range. 相似文献
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Opencast mining alters surface and subsurface hydrology of a landscape both during and post‐mining. At mine closure, following opencast mining in mines with low overburden to coal ratios, a void is left in the final landform. This final void is the location of the active mine pit at closure. Voids are generally not infilled within the mines' lifetime, because of the prohibitive cost of earthwork operations, and they become post‐mining water bodies or pit lakes. Water quality is a significant issue for pit lakes. Groundwater within coal seams and associated rocks can be saline, depending on the nature of the strata and groundwater circulation patterns. This groundwater may be preferentially drawn to and collected in the final void. Surface runoff to the void will not only collect salts from rainfall and atmospheric fallout, but also from the ground surface and the weathering of fresh rock. As the void water level rises, its evaporative surface area increases, concentrating salts that are held in solution. This paper presents a study of the long term, water quality trends in a post‐mining final void in the Hunter Valley, New South Wales, Australia. This process is complex and occurs long term, and modelling offers the only method of evaluating water quality. Using available geochemical, climate and hydrogeological data as inputs into a mass‐balance model, water quality in the final void was found to increase rapidly in salinity through time (2452 to 8909 mg l−1 over 500 years) as evaporation concentrates the salt in the void and regional groundwater containing high loads of salt continues to flow into the void. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
10.
This paper focuses on the influence of the initial void ratio on the evolution of the passive earth pressure and the formation
of shear zones in a dry sand body behind a retaining wall. For the numerical simulation a rigid and very rough retaining wall
undergoing a horizontal translation against the backfill is considered. The essential mechanical properties of cohesionless
granular soil are described with a micro-polar hypoplastic model which takes into account stresses and couple stresses, pressure
dependent limit void ratios and the mean grain size as a characteristic length. Numerical investigations are carried out with
an initially medium dense and initially loose sand using a homogeneous and random distribution of the initial void ratio.
The geometry of calculated shear zones is discussed and compared with a corresponding laboratory model test. 相似文献