Geology Reports⌕ Search

SEARCH · Geology Reports

Results for “Applied Mathematics and Computation”

Search indexed USGS publications on groundwater, aquifers, geologic maps, mineral resources and earthquakes. Explore source records by subject and place.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

43 records · Page 3Linked to original sources
USGS1988

Linear solvation energy relationships for toxicity of selected organic chemicals to Daphnia pulex and Daphnia magna

In the Laurentian Great Lakes, more than 300 contaminants have been identified in fish, other biota, water, and sediment. Current hazard assessment of these chemicals by the National Fisheries Research Center-Great Lakes is based on their toxicity, occurrence in the environment, and source. Although scientists at the Center have tested over 70 chemicals with the crustacean Daphnia pulex , the number of experimental data needed to screen the huge array of chemicals in the Great Lakes exceeds the practical capabilities of conducting bioassays. This limitation can be partly circumvented, however, by using mathematical models based on quantitative structure-activity relationships (QSAR) to provide rapid, inexpensive estimates of toxicity. Many properties of chemicals, including toxicity, bioaccumulation and water solubility are well correlated and can be predicted by equations of the generalized linear solvation energy relationships (LSER). The equation we used to model solute toxicity is Toxicity = constant + m VI/100 + s (π* + dδ) + b βm + a αm where VI = intrinsic (Van der Waals) molar volume; π* = molecular dipolarity/polarizability; δ = polarizability 'correction term'; βm = solute hydrogen bond acceptor basicity; and αm = solute hydrogen bond donor acidity. The subscript m designates solute monomer values for α and β. We applied the LSER model to 48-h acute toxicity data (measured as immobilization) for six classes of chemicals detected in Great Lakes fish. The following regression was obtained for Daphnia pulex (concentration = μM): log EC50 = 4.86 - 4.35 VI/100; N = 38, r2 = 0.867, sd = 0.403 We also used the LSER modeling approach to analyze to a large published data set of 24-h acute toxicity for Daphnia magna ; the following regression resulted, for eight classes of compounds (concentration = mM): log EC50 = 3.88 - 4.52 VI/100 - 1.62 π* + 1.66 βm - 0.916 αm; N = 62, r2 = 0.859, sd = 0.375 In addition we developed computer software that identifies chemical structures, estimates the LSER parameters, and predicts toxicity. The LSER models promise to be effective in differentiating between reactive and nonreactive toxicity behavior where other models have failed. Contaminants with reactive behavior are generally the most toxic and rank highest in hazard assessment of environmental chemicals.

Proceedings of the QSAR↗
USGS2010

Approaches to highly parameterized inversion: A guide to using PEST for model-parameter and predictive-uncertainty analysis

Analysis of the uncertainty associated with parameters used by a numerical model, and with predictions that depend on those parameters, is fundamental to the use of modeling in support of decisionmaking. Unfortunately, predictive uncertainty analysis with regard to models can be very computationally demanding, due in part to complex constraints on parameters that arise from expert knowledge of system properties on the one hand (knowledge constraints) and from the necessity for the model parameters to assume values that allow the model to reproduce historical system behavior on the other hand (calibration constraints). Enforcement of knowledge and calibration constraints on parameters used by a model does not eliminate the uncertainty in those parameters. In fact, in many cases, enforcement of calibration constraints simply reduces the uncertainties associated with a number of broad-scale combinations of model parameters that collectively describe spatially averaged system properties. The uncertainties associated with other combinations of parameters, especially those that pertain to small-scale parameter heterogeneity, may not be reduced through the calibration process. To the extent that a prediction depends on system-property detail, its postcalibration variability may be reduced very little, if at all, by applying calibration constraints; knowledge constraints remain the only limits on the variability of predictions that depend on such detail. Regrettably, in many common modeling applications, these constraints are weak. Though the PEST software suite was initially developed as a tool for model calibration, recent developments have focused on the evaluation of model-parameter and predictive uncertainty. As a complement to functionality that it provides for highly parameterized inversion (calibration) by means of formal mathematical regularization techniques, the PEST suite provides utilities for linear and nonlinear error-variance and uncertainty analysis in these highly parameterized modeling contexts. Availability of these utilities is particularly important because, in many cases, a significant proportion of the uncertainty associated with model parameters-and the predictions that depend on them-arises from differences between the complex properties of the real world and the simplified representation of those properties that is expressed by the calibrated model. This report is intended to guide intermediate to advanced modelers in the use of capabilities available with the PEST suite of programs for evaluating model predictive error and uncertainty. A brief theoretical background is presented on sources of parameter and predictive uncertainty and on the means for evaluating this uncertainty. Applications of PEST tools are then discussed for overdetermined and underdetermined problems, both linear and nonlinear. PEST tools for calculating contributions to model predictive uncertainty, as well as optimization of data acquisition for reducing parameter and predictive uncertainty, are presented. The appendixes list the relevant PEST variables, files, and utilities required for the analyses described in the document.

Michigan↗
USGS2013

Time-lapse analysis of methane quantity in Mary Lee group of coal seams using filter-based multiple-point geostatistical simulation

Coal seam degasification and its success are important for controlling methane, and thus for the health and safety of coal miners. During the course of degasification, properties of coal seams change. Thus, the changes in coal reservoir conditions and in-place gas content as well as methane emission potential into mines should be evaluated by examining time-dependent changes and the presence of major heterogeneities and geological discontinuities in the field. In this work, time-lapsed reservoir and fluid storage properties of the New Castle coal seam, Mary Lee/Blue Creek seam, and Jagger seam of Black Warrior Basin, Alabama, were determined from gas and water production history matching and production forecasting of vertical degasification wellbores. These properties were combined with isotherm and other important data to compute gas-in-place (GIP) and its change with time at borehole locations. Time-lapsed training images (TIs) of GIP and GIP difference corresponding to each coal and date were generated by using these point-wise data and Voronoi decomposition on the TI grid, which included faults as discontinuities for expansion of Voronoi regions. Filter-based multiple-point geostatistical simulations, which were preferred in this study due to anisotropies and discontinuities in the area, were used to predict time-lapsed GIP distributions within the study area. Performed simulations were used for mapping spatial time-lapsed methane quantities as well as their uncertainties within the study area. The systematic approach presented in this paper is the first time in literature that history matching, TIs of GIPs and filter simulations are used for degasification performance evaluation and for assessing GIP for mining safety. Results from this study showed that using production history matching of coalbed methane wells to determine time-lapsed reservoir data could be used to compute spatial GIP and representative GIP TIs generated through Voronoi decomposition. Furthermore, performing filter simulations using point-wise data and TIs could be used to predict methane quantity in coal seams subjected to degasification. During the course of the study, it was shown that the material balance of gas produced by wellbores and the GIP reductions in coal seams predicted using filter simulations compared very well, showing the success of filter simulations for continuous variables in this case study. Quantitative results from filter simulations of GIP within the studied area briefly showed that GIP was reduced from an initial ∼73 Bcf (median) to ∼46 Bcf (2011), representing a 37 % decrease and varying spatially through degasification. It is forecasted that there will be an additional ∼2 Bcf reduction in methane quantity between 2011 and 2015. This study and presented results showed that the applied methodology and utilized techniques can be used to map GIP and its change within coal seams after degasification, which can further be used for ventilation design for methane control in coal mines.

Alabama↗
USGS1971

Techniques for assessing water resource potentials in the developing countries: with emphasis on streamflow, erosion and sediment transport, water movement in unsaturated soils, ground water, and remote sensing in hydrologic applications

Hydrologic instrumentation and methodology for assessing water-resource potentials have originated largely in the developed countries of the temperature zone. The developing countries lie largely in the tropic zone, which contains the full gamut of the earth's climatic environments, including most of those of the temperate zone. For this reason, most hydrologic techniques have world-wide applicability. Techniques for assessing water-resource potentials for the high priority goals of economic growth are well established in the developing countries--but much more are well established in the developing countries--but much more so in some than in other. Conventional techniques for measurement and evaluation of basic hydrologic parameters are now well-understood in the developing countries and are generally adequate for their current needs and those of the immediate future. Institutional and economic constraints, however, inhibit growth of sustained programs of hydrologic data collection and application of the data to problems in engineering technology. Computer-based technology, including processing of hydrologic data and mathematical modelling of hydrologic parameters i also well-begun in many developing countries and has much wider potential application. In some developing counties, however, there is a tendency to look on the computer as a panacea for deficiencies in basic hydrologic data collection programs. This fallacy must be discouraged, as the computer is a tool and not a "magic box." There is no real substitute for sound programs of basic data collection. Nuclear and isotopic techniques are being used increasingly in the developed countries in the measurement and evaluation of virtually all hydrologic parameter in which conventional techniques have been used traditionally. Even in the developed countries, however, many hydrologists are not using nuclear techniques, simply because they lack knowledge of the principles involved and of the potential benefits. Nuclear methodology in hydrologic applications is generally more complex than the conventional and hence requires a high level of technical expertise for effective use. Application of nuclear techniques to hydrologic problems in the developing countries is likely to be marginal for some years to come, owing to the higher costs involved and expertise required. Nuclear techniques, however, would seem to have particular promise in studies of water movement in unsaturated soils and of erosion and sedimentation where conventional techniques are inadequate, inefficient and in some cases costly. Remote sensing offers great promise for synoptic evaluations of water resources and hydrologic processes, including the transient phenomena of the hydrologic cycle. Remote sensing is not, however, a panacea for deficiencies in hydrologic data programs in the developing countries. Rather it is a means for extending and augmenting on-the-ground observations ans surveys (ground truth) to evaluated water resources and hydrologic processes on a regionall or even continental scale. With respect to economic growth goals in developing countries, there are few identifiable gaps in existing hydrologic instrumentation and methodology insofar as appraisal, development and management of available water resources are concerned. What is needed is acceleration of institutional development and professional motivation toward more effective use of existing and proven methodology. Moreover, much sophisticated methodology can be applied effectively in the developing countries only when adequate levels of indigenous scientific skills have been reached and supportive institutional frameworks are evolved to viability.

Open-File Report↗
USGS1985

Three-dimensional trend mapping from wire-line logs

Mapping of lithofacies and porosities of stratigraphic units is complicated because these properties vary in three dimensions. The method of moments was proposed by Krumbein and Libby (1957) as a technique to aid in resolving this problem. Moments are easily computed from wireline logs and are simple statistics which summarize vertical variation in a log trace. Combinations of moment maps have proved useful in understanding vertical and lateral changes in lithology of sedimentary rock units. Although moments have meaning both as statistical descriptors and as mechanical properties, they also define polynomial curves which approximate lithologic changes as a function of depth. These polynomials can be fitted by least-squares methods, partitioning major trends in rock properties from finescale fluctuations. Analysis of variance yields the degree of fit of any polynomial and measures the proportion of vertical variability expressed by any moment or combination of moments. In addition, polynomial curves can be differentiated to determine depths at which pronounced expressions of facies occur and to determine the locations of boundaries between major lithologic subdivisions. Moments can be estimated at any location in an area by interpolating from log moments at control wells. A matrix algebra operation then converts moment estimates to coefficients of a polynomial function which describes a continuous curve of lithologic variation with depth. If this procedure is applied to a grid of geographic locations, the result is a model of variability in three dimensions. Resolution of the model is determined largely by number of moments used in its generation. The method is illustrated with an analysis of lithofacies in the Simpson Group of south-central Kansas; the three-dimensional model is shown as cross sections and slice maps. In this study, the gamma-ray log is used as a measure of shaliness of the unit. However, the method is general and can be applied, for example, to suites of neutron, density, or sonic logs to produce three-dimensional models of porosity in reservoir rocks. ?? 1985 Plenum Publishing Corporation.

Journal of the International Association for Mathe↗
USGS1989

Predicting earthquakes by analyzing accelerating precursory seismic activity

During 11 sequences of earthquakes that in retrospect can be classed as foreshocks, the accelerating rate at which seismic moment is released follows, at least in part, a simple equation. This equation (1) is {Mathematical expression},where {Mathematical expression} is the cumulative sum until time, t, of the square roots of seismic moments of individual foreshocks computed from reported magnitudes;C and n are constants; and tfis a limiting time at which the rate of seismic moment accumulation becomes infinite. The possible time of a major foreshock or main shock, tf,is found by the best fit of equation (1), or its integral, to step-like plots of {Mathematical expression} versus time using successive estimates of tfin linearized regressions until the maximum coefficient of determination, r2,is obtained. Analyzed examples include sequences preceding earthquakes at Cremasta, Greece, 2/5/66; Haicheng, China 2/4/75; Oaxaca, Mexico, 11/29/78; Petatlan, Mexico, 3/14/79; and Central Chile, 3/3/85. In 29 estimates of main-shock time, made as the sequences developed, the errors in 20 were less than one-half and in 9 less than one tenth the time remaining between the time of the last data used and the main shock. Some precursory sequences, or parts of them, yield no solution. Two sequences appear to include in their first parts the aftershocks of a previous event; plots using the integral of equation (1) show that the sequences are easily separable into aftershock and foreshock segments. Synthetic seismic sequences of shocks at equal time intervals were constructed to follow equation (1), using four values of n. In each series the resulting distributions of magnitudes closely follow the linear Gutenberg-Richter relation log N=a-bM, and the product n times b for each series is the same constant. In various forms and for decades, equation (1) has been used successfully to predict failure times of stressed metals and ceramics, landslides in soil and rock slopes, and volcanic eruptions. Results of more recent experiments and theoretical studies on crack propagation, fault mechanics, and acoustic emission can be closely reproduced by equation (1). Rate-process theory and continuum damage mechanics offer leads toward understanding the physical processes. ?? 1989 Birkha??user Verlag.

Pure and Applied Geophysics PAGEOPH↗
USGS2002

SUTRA: A model for 2D or 3D saturated-unsaturated, variable-density ground-water flow with solute or energy transport

SUTRA (Saturated-Unsaturated Transport) is a computer program that simulates fluid movement and the transport of either energy or dissolved substances in a subsurface environment. This upgraded version of SUTRA adds the capability for three-dimensional simulation to the former code (Voss, 1984), which allowed only two-dimensional simulation. The code employs a two- or three-dimensional finite-element and finite-difference method to approximate the governing equations that describe the two interdependent processes that are simulated: 1) fluid density-dependent saturated or unsaturated ground-water flow; and 2) either (a) transport of a solute in the ground water, in which the solute may be subject to: equilibrium adsorption on the porous matrix, and both first-order and zero-order production or decay; or (b) transport of thermal energy in the ground water and solid matrix of the aquifer. SUTRA may also be used to simulate simpler subsets of the above processes. A flow-direction-dependent dispersion process for anisotropic media is also provided by the code and is introduced in this report. As the primary calculated result, SUTRA provides fluid pressures and either solute concentrations or temperatures, as they vary with time, everywhere in the simulated subsurface system. SUTRA flow simulation may be employed for two-dimensional (2D) areal, cross sectional and three-dimensional (3D) modeling of saturated ground-water flow systems, and for cross sectional and 3D modeling of unsaturated zone flow. Solute-transport simulation using SUTRA may be employed to model natural or man-induced chemical-species transport including processes of solute sorption, production, and decay. For example, it may be applied to analyze ground-water contaminant transport problems and aquifer restoration designs. In addition, solute-transport simulation with SUTRA may be used for modeling of variable-density leachate movement, and for cross sectional modeling of saltwater intrusion in aquifers at near-well or regional scales, with either dispersed or relatively sharp transition zones between freshwater and saltwater. SUTRA energy-transport simulation may be employed to model thermal regimes in aquifers, subsurface heat conduction, aquifer thermal-energy storage systems, geothermal reservoirs, thermal pollution of aquifers, and natural hydrogeologic convection systems. Mesh construction, which is quite flexible for arbitrary geometries, employs quadrilateral finite elements in 2D Cartesian or radial-cylindrical coordinate systems, and hexahedral finite elements in 3D systems. 3D meshes are currently restricted to be logically rectangular; in other words, they are similar to deformable finite-difference-style grids. Permeabilities may be anisotropic and may vary in both direction and magnitude throughout the system, as may most other aquifer and fluid properties. Boundary conditions, sources and sinks may be time dependent. A number of input data checks are made to verify the input data set. An option is available for storing intermediate results and restarting a simulation at the intermediate time. Output options include fluid velocities, fluid mass and solute mass or energy budgets, and time-varying observations at points in the system. Both the mathematical basis for SUTRA and the program structure are highly general, and are modularized to allow for straightforward addition of new methods or processes to the simulation. The FORTRAN-90 coding stresses clarity and modularity rather than efficiency, providing easy access for later modifications.

Water-Resources Investigations Report↗