The Hf-INATOR: A free data reduction spreadsheet for Lu/Hf isotope analysis

During the last decade, the in situ Lu-Hf isotope methodology has been widely used in Earth sciences and the number of laboratories performing Lu-Hf analysis has increased together with dedicated scientific software. However, free and user-friendly software for the Lu-Hf data reduction is currently missing. We present the ‘Hf-INATOR’, a new interactive Excel spreadsheet, simple to use and completely free (compatible with Libreoffice and Openoffice) that performs data reduction of the Lu-Hf analytical outputs and calculates the main parameters of the Lu-Hf systematic, such as the 2σ errors, the εHf₍₀₎, the εHf_(t), the T_DM, the T_DM ^C and the f_Lu/Hf.     

EXCEL在边坡稳定性分析中的应用

利用Excel强大的数据处理、便捷的公式函数和所支持的面向对象化的程序设计语言VBA,应用于土坡的稳定性分析。基本方法为：先采用传统的瑞典条分法对边坡进行计算分析,在求得最危险滑动面的基础上,通过简化Bishop法对边坡安全系数Fs进行改进。在此过程中,Excel加载VBA子程序可以方便地得到极限平衡条分法中的各未知量,并计算出最危险滑动面上的安全系数Fs,同时使用其可视化功能绘出最危险滑动面的位置。此方法简化了计算程序,不仅容易在Excel表格中实现,且计算对比表明本文方法计算结果与简化Bishop法计算结果非常接近,可满足工程需要。     

Pressure transient technique to constrain CO<Subscript>2</Subscript> plume boundaries

Carbon dioxide (CO₂) has been injected in the subsurface permeable formations as a means to cut atmospheric CO₂ emissions and/or enhance oil recovery (EOR). It is important to constrain the boundaries of the CO₂ plume in the target formation and/or other formations hosting the CO₂ migrated from the target formation. Monitoring methods and technologies to assess the CO₂ plume boundaries over time within a reservoir of interest are required. Previously introduced methods and technologies on pressure monitoring to detect the extent of the CO₂ plume require at least two wells, i.e. pulser and observation wells. We introduce pressure transient technique requiring single well only. Single well pressure transient testing (drawdown/buildup/injection/falloff) is widely used to determine reservoir properties and wellbore conditions. Pressure diagnostic plots are used to identify different flow regimes and determine the reservoir/well characteristics. We propose a method to determine the plume extent for a constant rate pressure transient test at a single well outside the CO₂ plume. Due to the significant contrast between mobility and storativity of the CO₂ and native fluids (oil or brine), the CO₂ boundary causes deviation in the pressure diagnostic response from that corresponding to previously identified heterogeneities. Using the superposition principle, we develop a relationship between the deviation time and the plume boundary. We demonstrate the applicability of the proposed method using numerically generated synthetic data corresponding to homogeneous, heterogeneous, and anisotropic cases to evaluate its potential and limitations. We discuss ways to identify and overcome the potential limitations for application of the method in the field.     

基于ExcelVBA实现箱图剔除法确定化探异常下限

尽管目前地球化学异常下限的计算方法较多,但不同程度上存在计算过程复杂、应用范围较窄、相关专业软件普及程度低等问题。针对这些问题,笔者提出将EDA技术与经典统计概率法相结合的方法,并应用Excel下的程序开发工具进行VBA编程,在Excel中实现异常下限的快速计算。该方法具有计算简便、异常下限稳健以及应用范围广等优点。依据方法原理,该方法仅适用于来自单一母体的数据样本,来源母体可通过分形图给出初步判定方法。     

土钉支护结构可靠度分析的电子表格法

岩土工程中存在大量的不确定性,因此,进行土钉支护结构的可靠度分析是十分必要的。利用Excel的规划求解及VB编程功能,采用电子表格法,建立了适用于分层土体的电子表格计算模型,进行了土钉支护结构内部稳定的可靠度分析,得出了最小可靠指标及其相应的临界滑面位置。建立的电子表格模型由数据输入模块、土钉计算模块、土层计算模块、可靠指标计算模块及优化求解模块5部分组成。模型建立之后,只需改变电子表格中的输入数据,即可适用于不同土钉支护结构的可靠度分析。算例分析表明：方法正确,计算过程简单直观。它既可用于不同工况下土钉支护结构内部稳定的可靠度分析,也可简化为相应情况下的定值法分析。     

Excel在地质数据处理中的应用

Excel是微软公司Office套装办公软件之一,方便实用,功能十分强大,能够对各种数据进行处理,并且其计算过程非常直观。在地质工作中,有大量的原始数据要进行处理,以高斯投影坐标正反算应用为例说明灵活运用Excel中的内部函数及和所绑定的VBA语言,解决地质工作中的各种数据处理工作,可以取得良好的效果。     

TerCharts: a VBA–MS Excel multiternary and multipurpose charting utility for data analysis,presentation, and modeling in environmental and earth sciences

TerCharts is a comprehensive, fast, flexible, and versatile ternary charting utility that can be used for ternary data presentation analysis and modeling across many scientific disciplines. TerCharts is developed using Microsoft (MS) Excel 2003 and Visual Basic for Applications (VBA) which is an object oriented programming language developed by MS as a tool to enhance the capabilities of MS products. The Excel–VBA interface is important because normally chemical, geochemical, and mineralogical data used in teaching and basic research are processed using Excel spreadsheets, making TerCharts a more convenient tool for generating ternary charts which in turn can be used for data presentation and analysis. Ternary charts generated by this utility can be improved, edited, and modified utilizing MS Excel’s powerful charting and editing techniques.     

Low-temperature heat capacities of MgAl<Subscript>2</Subscript>O<Subscript>4</Subscript> and spinels of the MgCr<Subscript>2</Subscript>O<Subscript>4</Subscript>–MgAl<Subscript>2</Subscript>O<Subscript>4</Subscript> solid solution

We present results from low-temperature heat capacity measurements of spinels along the solid solution between MgAl₂O₄ and MgCr₂O₄. The data also include new low-temperature heat capacity measurements for MgAl₂O₄ spinel. Heat capacities were measured between 1.5 and 300 K, and thermochemical functions were derived from the results. No heat capacity anomaly was observed for MgAl₂O₄ spinel; however, we observe a low-temperature heat capacity anomaly for Cr-bearing spinels at temperatures below 15 K. From our data we calculate standard entropies (298.15 K) for Mg(Cr,Al)₂O₄ spinels. We suggest a standard entropy for MgAl₂O₄ of 80.9 ± 0.6 J mol⁻¹ K⁻¹. For the solid solution between MgAl₂O₄ and MgCr₂O₄, we observe a linear increase of the standard entropies from 80.9 J mol⁻¹ K⁻¹ for MgAl₂O₄ to 118.3 J mol⁻¹ K⁻¹ for MgCr₂O₄.     

Defining an absolute reference frame for ‘clumped’ isotope studies of CO2

We present a revised approach for standardizing and reporting analyses of multiply substituted isotopologues of CO₂ (i.e., ‘clumped’ isotopic species, especially the mass-47 isotopologues). Our approach standardizes such data to an absolute reference frame based on theoretical predictions of the abundances of multiply-substituted isotopologues in gaseous CO₂ at thermodynamic equilibrium. This reference frame is preferred over an inter-laboratory calibration of carbonates because it enables all laboratories measuring mass 47 CO₂ to use a common scale that is tied directly to theoretical predictions of clumping in CO₂, regardless of the laboratory’s primary research field (carbonate thermometry or CO₂ biogeochemistry); it explicitly accounts for mass spectrometric artifacts rather than convolving (and potentially confusing) them with chemical fractionations associated with sample preparation; and it is based on a thermodynamic equilibrium that can be experimentally established in any suitably equipped laboratory using commonly available materials.By analyzing CO₂ gases that have been subjected to established laboratory procedures known to promote isotopic equilibrium (i.e., heated gases and water-equilibrated CO₂), and by reference to thermodynamic predictions of equilibrium isotopic distributions, it is possible to construct an empirical transfer function that is applicable to data with unknown clumped isotope signatures. This transfer function empirically accounts for the fragmentation and recombination reactions that occur in electron impact ionization sources and other mass spectrometric artifacts. We describe the protocol necessary to construct such a reference frame, the method for converting gases with unknown clumped isotope compositions to this reference frame, and suggest a protocol for ensuring that all reported isotopic compositions (e.g., Δ₄₇ values; [Eiler and Schauble, 2004] and [Eiler, 2007]) can be compared among different laboratories and instruments, independent of laboratory-specific analytical or methodological differences. We then discuss the use of intra-laboratory secondary reference frames (e.g., based on carbonate standards) that can be more easily used to track the evolution of each laboratory’s empirical transfer function. Finally, we show inter-laboratory reproducibility on the order of ±0.010 (1σ) for four carbonate standards, and present revised paleotemperature scales that should be used to convert carbonate clumped isotope signatures to temperature when using the absolute reference frame described here. Even when using the reference frame, small discrepancies remain between two previously published synthetic carbonate calibrations. We discuss possible reasons for these discrepancies, and highlight the need for additional low temperature (<15 °C) synthetic carbonate experiments.     

地基不均匀性定量评价的ExcelVBA方法

地基不均匀性的定量评价工作量大,手工计算相当繁琐。以ExcelVBA为工具,依据《高层建筑岩土勘察规程》（JGJ7—2004）,编制了地基不均匀性定量评价的ExcelVBA程序,评价结果的Excel表格可直接作为工程文档。     

High-pressure Raman studies and heat capacity measurements on the MgSiO<Subscript>3</Subscript> analogue CaIr<Subscript>0.5</Subscript>Pt<Subscript>0.5</Subscript>O<Subscript>3</Subscript>

Raman spectroscopy and heat capacity measurements have been used to study the post-perovskite phase of CaIr_0.5Pt_0.5O₃, recovered from synthesis at a pressure of 15 GPa. Laser heating CaIr_0.5Pt_0.5O₃ to 1,900 K at 60 GPa produces a new perovskite phase which is not recoverable and reverts to the post-perovskite polymorph between 20 and 9 GPa on decompression. This implies that Pt-rich CaIr_1−xPt_xO₃ perovskites including the end member CaPtO₃ cannot easily be recovered to ambient pressure from high P–T synthesis. We estimate an increase in the thermodynamic Grüneisen parameter across the post-perovskite to perovskite transition of 34%, of similar magnitude to those for (Mg,Fe)SiO₃ and MgGeO₃, suggesting that CaIr_0.5Pt_0.5O₃ is a promising analogue for experimental studies of the competition in energetics between perovskite and post-perovskite phases of magnesium silicates in Earth’s lowermost mantle. Low-temperature heat capacity measurements show that CaIrO₃ has a significant Sommerfeld coefficient of 11.7 mJ/mol K² and an entropy change of only 1.1% of Rln2 at the 108 K Curie transition, consistent with the near-itinerant electron magnetism. Heat capacity results for post-perovskite CaIr_0.5Rh_0.5O₃ are also reported.     

DFT study of migration enthalpies in MgSiO<Subscript>3</Subscript> perovskite

The effect of pressure on ionic diffusion in orthorhombic MgSiO₃ perovskite has been investigated using density functional theory. An intensive investigation of possible silicon pathways revealed new positions of the saddle-points and an enthalpy of migration at 26.2 GPa of 4.7 eV that is in fair agreement with the experimental values of about 3.5 eV at 25 GPa. This is much lower than found in previous studies (~9 eV) and removes the need to explain silicon diffusion by a complicated process involving coupled oxygen vacancies, as has been previously proposed. Our migration enthalpies for oxygen and magnesium are in excellent agreement with experiments. We find that oxygen diffusion occurs via a chain of several inequivalent jumps along the octahedron edges, and that magnesium occurs via two inequivalent [110] jumps and one [001] jump. We also present activation volumes for all three species at 25 and 135 GPa.     

Screening and ranking framework for geologic CO<Subscript>2</Subscript> storage site selection on the basis of health,safety, and environmental risk

A screening and ranking framework (SRF) has been developed to evaluate potential geologic carbon dioxide (CO₂) storage sites on the basis of health, safety, and environmental (HSE) risk arising from CO₂ leakage. The approach is based on the assumption that CO₂ leakage risk is dependent on three basic characteristics of a geologic CO₂ storage site: (1) the potential for primary containment by the target formation; (2) the potential for secondary containment if the primary formation leaks; and (3) the potential for attenuation and dispersion of leaking CO₂ if the primary formation leaks and secondary containment fails. The framework is implemented in a spreadsheet in which users enter numerical scores representing expert opinions or published information along with estimates of uncertainty. Applications to three sites in California demonstrate the approach. Refinements and extensions are possible through the use of more detailed data or model results in place of property proxies.     

三角图的原理、快速绘制以及在砂岩分类中的应用

三角图广泛用于砂岩分类,但个别高引用率文献论证公式的过程繁琐甚至推导出现错误。为系统阐述三角图的原理与制作,在确定三角图的读图规则后,进行平面几何推导,指出并修正了前人推导过程中的逻辑性错误,最后使用Excel成图与商业软件Origin及Grapher的三角图进行对比。结果表明,等边三角形与等腰三角形的投点方式存在差异,但两种图版可以进行变形操作而相互转化,三角形的侧边能否作为坐标轴以及纵坐标的绝对长度能否代表石英的含量取决于三角形的形态。商业软件的图版难以满足需求,建议以Excel使用等腰三角形的投点方式,结合地质绘图软件进行制图。为降低工作量,可以使用本文所编写的VBA代码,快速绘制砂岩分类三角图。     

Physical and chemical characteristics of potential seal strata in regions considered for demonstrating geological saline CO<Subscript>2</Subscript> sequestration

Capture and geological sequestration of CO₂ from energy production is proposed to help mitigate climate change caused by anthropogenic emissions of CO₂ and other greenhouse gases. Performance goals set by the US Department of Energy for CO₂ storage permanence include retention of at least 99% of injected CO₂ which requires detailed assessments of each potential storage site’s geologic system, including reservoir(s) and seal(s). The objective of this study was to review relevant basin-wide physical and chemical characteristics of geological seals considered for saline reservoir CO₂ sequestration in the United States. Results showed that the seal strata can exhibit substantial heterogeneity in the composition, structural, and fluid transport characteristics on a basin scale. Analysis of available field and wellbore core data reveal several common inter-basin features of the seals, including the occurrence of quartz, dolomite, illite, calcite, and glauconite minerals along with structural features containing fractures, faults, and salt structures. In certain localities within the examined basins, some seal strata also serve as source rock for oil and gas production and can be subject to salt intrusions. The regional features identified in this study can help guide modeling, laboratory, and field studies needed to assess local seal performances within the examined basins.     

SEDMIN - Microsoft Excel™ spreadsheet for calculating fine-grained sedimentary rock mineralogy from bulk geochemical analysis

Normative mineralogical calculations from bulk geochemistry of sedimentary rocks are problematic because of variable depositional environments, particle hydraulics and sedimentary source systems. The development of SEDMIN, a Microsoft Excel? spreadsheet solution, is a practical attempt for a computational routine focusing specifically on smectite, chlorite, kaolinite, illite and the ambiguous sericite within various pelitic sedimentary lithologies. While in essence a mathematical approach, the use of statistical evaluation of empirical lithogeochemical data combined with modal analytical procedures yields reasonable geochemical associations, more precise chemical phases and revised procedural allotment paradigms. Thus, an algorithm using TiO₂ as a key to the normative calculation of kaolinite is proposed. Incorporating additional parameters, such as LOI (Loss-on-ignition) in conjunction with carbon, sulfur, carbonate and sulfate, provides that clay phases can be more accurately determined than from bulk oxides alone. Even when presented with atypical sample data, the spreadsheet solution is able to accurately predict predominant clay minerals. Besides some drawbacks, the likely benefit from SEDMIN is the incorporation of results in classification norms and diagrams indicative of sedimentary lithologies. The ”SEDMIN Sedimentary Mineral Calculator.xlsx” spreadsheet can be freely downloaded from http://earthscienceeducation.net/SEDMINSedimentaryMineralCalculator.xlsx.     

A possible approach for Tier 2 risk assessments of polluted sites: Framework,computer spreadsheet and application

Owing to the increasing attention placed on problems concerning site pollution that environmental geotechnics deals with, an implementation of Tier2 risk assessment (forward and backward mode) is proposed and developed in a computer spreadsheet. Consistently with a Tier 2 approach, contaminant migration is described by analytical solutions of transport models using site-specific parameters. The calculations are implemented with Microsoft Excel® while the user interfaces, which manage the various worksheets, were built with Visual Basic®. The spreadsheet was validated by comparing it with other available software that implement the same model for a given migration pathway. In the present version, the computer tool is consistent with Italian guidelines for Tiers 2 risk assessment. However, the tool can be easily adapted to comply with different regulations and recommendations. Some illustrative examples of applications are given in the paper: a case study of risk assessment for contaminated site is illustrated and a sensitivity analyses of transport factors to site-specific parameters is presented.     

Spatio-temporal evolution of mass wasting after the 2008 M<Subscript>w</Subscript> 7.9 Wenchuan earthquake revealed by a detailed multi-temporal inventory

Strong earthquakes in mountainous areas can trigger a large number of landslides that generate deposits of loose and unconsolidated debris across the landscape. These deposits can be easily remobilised by rainfalls, with their movement frequently evolving into catastrophic debris flows and avalanches. This has been the fate of many of the 200,000 co-seismic deposits generated by the 2008 M_w 7.9 Wenchuan earthquake in Sichuan, China. Here we present one of the first studies on the post-seismic patterns of landsliding through a detailed multi-temporal inventory that covers a large portion of the epicentral area (462.5 km²). We quantify changes of size-frequency distribution, active volumes and type of movement. We analyse the possible factors controlling landslide activity and we discuss the significance of mapping uncertainties. We observe that the total number of active landslides decreased with time significantly (from 9189 in 2008 to 221 in 2015), and that post-seismic remobilisations soon after the earthquake (2008–2011) occurred stochastically with respect to the size of the co-seismic deposits. Subsequently (2013–2015), landslide rates remained higher in larger deposits than in smaller ones, particularly in proximity to the drainage network, with channelised flows becoming comparatively more frequent than hillslope slides. However, most of the co-seismic debris remained along the hillslopes and are largely stabilised, urging to rethink the way we believe that seismic activity affects the erosion patterns in mountain ranges.     

运用Excel及VBA语言快速智能地处理土工试验数据

运用Excel及其内置的VBA语言开发设计了土工试验数据处理程序＂数据处理小旋风＂,用代码建立一个模块包含10个子过程,一个工作簿事件。该程序具有简洁友好的界面,快速化智能化,能有效地提高了工作效率。     

Single-crystal Raman spectra of YAlO<Subscript>3</Subscript> and GdAlO<Subscript>3</Subscript>: comparison to several orthorhombic ABO<Subscript>3</Subscript> perovskites

Room-temperature-polarized single-crystal Raman spectra have been measured for both GdAlO₃ and YAlO₃. Both aluminates crystallize in the orthorhombic (Pbnm) perovskite structure. Of the 24 possible Raman modes in 4 symmetries, 20 and 17 modes were observed for gadolinium and yttrium aluminates, respectively. Comparisons of the Raman spectra of these two aluminates to those of 28 other orthorhombic ABO₃ perovskites revealed remarkably similar spectral patterns, regardless of chemistry or valency of the cations. Closer examination of the effect of mass, valencies, and size of the cations on the Raman spectra versus composition revealed that for the observed modes, the A cation plays the dominant role in determining the Raman shift. In particular, the one to two lowest energy modes in each symmetry are determined by cation mass and valency no matter what the chemistry. For some perovskites with common A cations, higher energy modes were also strikingly similar. In particular, the calcium perovskites had almost all A_g modes at the same energies despite the greatly varying B cations. The second to the lowest mode in A_g and B_1g depended only on A cation mass for all perovskites. The volume plays a minor role throughout but is hard to separate from mass effects because the most massive cations are also the largest. However, if the B-cation is common, for example, aluminates or ferrites, the volume has a minor effect on the higher energy modes. These trends were not observed for all perovskites. Notable exceptions were found if a perovskite is near a phase transition or metastable, as found for three manganites. The effect of increased valency of the A cation from 2–4 to 3–3 perovskites expresses itself as relatively larger Raman shifts for the lowest energy modes. Analog studies of MgSiO₃ perovskites should be undertaken with only 2–4 perovskites. The increased understanding for the mode distributions of perovskites allows for better estimates of their thermodynamic properties through vibrational modeling.