衍射指标h和k的互换问题

通过衍射线指标和面网指标的联系讨论了晶体的对称性对衍射指标h和k互换的影响。在下列情况下衍射指标h和k是不能互换的:在低级晶族;在四方晶系C_(4h)—4/m劳厄点群,六方品系C_(6h)—6/m劳厄点群和立方晶系T_h—m3劳厄点群对于hko和kkl型衍射;在三方晶系选取六方晶胞的情况下,在C_(3i)—3劳厄点群对于hol,okl,hko和hkl型衍射,在D_(3d)—3m劳厄点群对于holokl和hkl型衍射,以及在菱面体点阵除非h和k都是三的倍数。     

合成斜方辉石系列的红外光谱研究

在30kbar和900℃条件下,用等化学计量氧化物混合物合成了11个斜方辉石系列的样品,并对合成的样品进行了X射线粉晶分析和红外光谱分析。分析结果表明,晶胞参数和红外光谱随化学成分的改变而产生复杂的变化。不仅晶胞参数b和M而且频率ν_(670cm)-1和M之间存在很好的线性相关关系,通过用最小二乘法所拟合的相关方程可容易地测定斜方辉石的成分,但是α和c与M之间只有较差的线性关系,而ν_(450cm)-1和M以及ν_(380cm)-1和M之间并无简单的线性相关关系,这可归因于Fe~(2+)在M_1和M_2位置的有序分布。     

A method to estimate hydraulic conductivity from bulk geochemical compositions

A new method has been developed to estimate the hydraulic conductivity in unconsolidated aquifers. The method uses bulk geochemical compositions correlated with hydraulic conductivities measured by pumping tests. The concept is based on a general rule that hydraulic conductivity is principally controlled by grain-size distribution and particle shape,both of which relate to mineralogical composition. Using a MINLITH algorithm, normative mineralogical compositions can be derived from bulk geochemical compositions economically and expediently, and then correlated to the hydraulic conductivity determined by pumping tests in the field. In this study, 202 sediment samples from nine unconsolidated aquifers were analyzed by X-ray fluorescence. Although hydraulic conductivity does not show a definite relationship with geochemical compositions, it does demonstrate a linear logarithmic equation to the content of normative earthy minerals. However, linear regressed equations should not be applied to aquifers composed of medium to coarse sand and gravel sizes due to interference from lithic fragments. In addition, this equation tends to overestimate hydraulic conductivity possibly because the effect of compaction is ignored in this study.     

Three-dimensional petrographical investigations on borehole rock samples: a comparison between X-ray computed- and neutron tomography

Technical difficulties associated with excavation works in tectonized geological settings are frequent. They comprise instantaneous and/or delayed convergence, sudden collapse of gallery roof and/or walls, outpouring of fault-filling materials and water inflows. These phenomena have a negative impact on construction sites and their safety. In order to optimize project success, preliminary studies on the reliability of rock material found on site are needed. This implies in situ investigations (surface mapping, prospective drilling, waterflow survey, etc.) as well as laboratory investigations on rock samples (permeability determination, moisture and water content, mineralogy, petrography, geochemistry, mechanical deformation tests, etc.). A set of multiple parameters are then recorded which permit better insight on site conditions and probable behavior during excavation. Because rock formations are by nature heterogeneous, many uncertainties remain when extrapolating large-scale behavior of the rock mass from analyses of samples order of magnitudes smaller. Indirect large-scale field investigations (e.g. geophysical prospecting) could help to better constrain the relationships between lithologies at depth. At a much smaller scale, indirect analytical methods are becoming more widely used for material investigations. We discuss in this paper X-ray computed tomography (XRCT) and neutron tomography (NT), showing promising results for 3D petrographical investigations of the internal structure of opaque materials. Both techniques record contrasts inside a sample, which can be interpreted and quantified in terms of heterogeneity. This approach has the advantage of combining genetic parameters (physico-chemical rock composition) with geometric parameters resulting from alteration or deformation processes (texture and structure). A critical analysis of such 3D analyses together with the results of mechanical tests could improve predictions of short- and long-term behavior of a rock unit. Indirect methods have the advantage of being non-destructive. However, as it is the case with large-scale geophysical surveying, XRCT and NT are affected by several error factors inherent to the interaction of a radiation modality (X-ray or neutron beam) with the atomic structure of the investigated materials. Recorded signals are therefore in particular cases not artifact-free and need to be corrected in a subsequent stage of data processing.     

Investigation of NaCl deliquescence in porous substrates using RH-XRD

We report on the use of X-ray diffractometry under controlled conditions of temperature and relative humidity (RH-XRD) for the investigation of NaCl deliquescence in the pore space of glass filter frits, which were used as model substrates. The study confirms that RH-XRD is an appropriate experimental technique for the in situ observation of phase transformation in porous materials. It is used for an investigation of both the deliquescence kinetics and the deliquescence humidity within pores of different median pore diameter. Several major influences affecting deliquescence rates in the pore space close to the surface of a porous material are discussed. It appears that quite short-term variation of ambient relative humidity, e.g., typical daily fluctuations, might induce damaging deliquescence–crystallization cycles within the pore space of building materials. In agreement with theoretical considerations it was found that confinement of NaCl crystals in pores with median diameters in the range 1.4–70 μm does not affect the deliquescence humidity of the salt.     

原子荧光光谱分析环境样品中砷锑铋汞易出现的问题及解决方法

针对原子荧光光谱法测试砷锑铋汞中易出现的仪器空白不稳定、样品制备及仪器污染等问题，总结出相应的解决方法。     

X-ray imagery and physical core logging as a proxy of the content of sediment cores in cold-water coral mound provinces: a case study from Porcupine Seabight,SW of Ireland

Three provinces, characterized by the presence of carbonate mounds interpreted as cold-water coral banks have been reported in Porcupine Seabight, SW of Ireland and were recently subjected to many detailed studies. This contribution discusses the use of X-ray imagery and physical properties in deciphering palaeoceanographic, sedimentological and biological processes. Physical property core logging and X-ray imagery are used to identify and describe sedimentation regimes and so their respective palaeoceanographic and palaeoclimatological settings in two mound provinces, respectively the Belgica mound province and the Magellan mound province. Both provinces show at present time clear differences in the hydrodynamic environment. This study confirms that also during the past the oceanographic and sedimentological environment of both provinces differ clearly. Impacts of glacial–interglacial variations and locally derived ice rafting events (IRE), comparable with the North Atlantic Heinrich events (HE) have been recognized in both provinces. Moreover, the combination of X-ray imagery, magnetic susceptibility, gamma density and P-wave velocity makes it possible to estimate the coral content and coral distribution in unopened cores localized on top of carbonate mounds. A comparison between on-mound and off-mound cores in both provinces allowed revealing some mechanisms of mound evolution and coral growth versus time.     

X-ray diffraction investigation of native Si-Fe alloy minerals from Luobusha, Tibet

The origin of native Si-Fe alloy mineral is thought to be related with mantle and aerolite. The native Si-Fe alloy minerals from podiform chromites of the Luobusha ophiolite in the Yarlong Zangbo suture zone were examined by a new method for powder-like diffractograms of small single crystals, using an SMART APEX-CCD area-detector X-ray diffractometer. The powder diffraction pattern shows that the minerals are composed of FeSi, FeSi₂, β-FeSi₂ and native silicon. The association of these minerals suggests that the crystallization order of the mineral may be from early to late FeSi→FeSi₂→native silicon, accompanied by gradually increasing deoxidization. Translated from Acta Petrologica et Mineralogica, 2005, 24(5): 453–456 [译自: 岩石矿物学杂志]     

Comparison of resection–intersection algorithms and projection geometries in radiostereometry

Three resection–intersection algorithms were applied to simulated projections and clinical data from radiostereometric patients. On simulated data, the more advanced bundle-adjustment-based algorithms outperformed the classical Selvik algorithm, even if the error reductions were small for some parameters. On clinical data, the results were inconclusive.The two different projection geometries had a much larger influence on the error size and distribution. For the biplanar configuration, the position and motion errors were small and almost isotropic. For the uniplanar configuration, the position errors were comparably high and anisotropic, but still resulted in a high accuracy for some motion parameters at the expense of others.The simplified resection–intersection algorithm by Selvik may still be considered a good and robust algorithm for radiostereometry. More studies will have to be performed to find out how the theoretical advantages of the bundle methods can be utilized in clinical radiostereometry.