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Advances in the simulation and automated measurement of well-sorted granular material: 1. Simulation

1. In this, the first of a pair of papers which address the simulation and automated measurement of well-sorted natural granular material, a method is presented for simulation of two-phase (solid, void) assemblages of discrete non-cohesive particles. The purpose is to have a flexible, yet computationally and theoretically simple, suite of tools with well constrained and well known statistical properties, in order to simulate realistic granular material as a discrete element model with realistic size and shape distributions, for a variety of purposes. The stochastic modeling framework is based on three-dimensional tessellations with variable degrees of order in particle-packing arrangement. Examples of sediments with a variety of particle size distributions and spatial variability in grain size are presented. The relationship between particle shape and porosity conforms to published data. The immediate application is testing new algorithms for automated measurements of particle properties (mean and standard deviation of particle sizes, and apparent porosity) from images of natural sediment, as detailed in the second of this pair of papers. The model could also prove useful for simulating specific depositional structures found in natural sediments, the result of physical alterations to packing and grain fabric, using discrete particle flow models. While the principal focus here is on naturally occurring sediment and sedimentary rock, the methods presented might also be useful for simulations of similar granular or cellular material encountered in engineering, industrial and life sciences.

Journal of Geophysical Research F: Earth Surface

Application of a workflow to determine the feasibility of using simulated streamflow for estimation of streamflow frequency statistics

Streamflow records from hydrologic models are attractive for use in operational hydrology, such as a streamflow frequency analysis. The amount of bias inherent to simulated streamflow from hydrologic models is often unknown, but it is likely present in derivative products. Therefore, a workflow may help determine where streamflow frequency analysis is credibly feasible from simulated streamflow and allow for a systematic way to assess and correct for bias. The proposed workflow consists of hydrologically matching model output locations with streamflow-gauging station (stream gauge) locations, computing the desired statistic from the simulated and observed streamflow record, computing the differences between the simulated and observed statistic (i.e., the bias), and constructing generalized additive models (GAMs) from the differences to determine bias corrections. The US Geological Survey, in cooperation with the Gulf Coast Ecosystem Restoration Council and the US Environmental Protection Agency, is testing the proposed workflow on a low-streamflow frequency (LFF) analysis. Simulated streamflows for the LFF analysis were sourced from a machine-learning model that estimated daily streamflow at Level-12 hydrologic unit code (HUC12) pour points (outlets) in the southern and southeastern US for 1950–2010. The comparison data set consists of 497 stream gauges that are coincident with a HUC12 outlet. The simulated LFF statistics were being overestimated on average; thus, there are limits to using simulated streamflow for frequency analysis. The magnitude of the overprediction generally increases where no-flow conditions are common. Bias corrections determined from the GAMs decreased the magnitude of bias observed in the simulated LFF statistics on average, suggesting it is feasible to expand the operational use of simulated streamflows to frequency analyses with the proposed workflow. The proposed workflow could be advantageous to practitioners interested in leveraging existing and future simulated streamflow data sets with regional and or global coverage.

Journal of Hydrologic Engineering

Comparison of HSPF and PRMS model simulated flows using different temporal and spatial scales in the Black Hills, South Dakota

The hydrological simulation program Fortran ( HSPF ) [ Hydrological Simulation Program Fortran version 12.2 (Computer software). USEPA, Washington, DC] and the precipitation runoff modeling system ( PRMS ) [ Precipitation Runoff Modeling System version 4.0 (Computer software). USGS, Reston, VA] models are semidistributed, deterministic hydrological tools for simulating the impacts of precipitation, land use, and climate on basin hydrology and streamflow. Both models have been applied independently to many watersheds across the United States. This paper reports the statistical results assessing various temporal (daily, monthly, and annual) and spatial (small versus large watershed) scale biases in HSPF and PRMS simulations using two watersheds in the Black Hills, South Dakota. The Nash-Sutcliffe efficiency (NSE), Pearson correlation coefficient ( r "> r r ), and coefficient of determination ( R 2 "> R 2 R2 ) statistics for the daily, monthly, and annual flows were used to evaluate the models’ performance. Results from the HSPF models showed that the HSPF consistently simulated the annual flows for both large and small basins better than the monthly and daily flows, and the simulated flows for the small watershed better than flows for the large watershed. In comparison, the PRMS model results show that the PRMS simulated the monthly flows for both the large and small watersheds better than the daily and annual flows, and the range of statistical error in the PRMS models was greater than that in the HSPF models. Moreover, it can be concluded that the statistical error in the HSPF and the PRMS daily, monthly, and annual flow estimates for watersheds in the Black Hills was influenced by both temporal and spatial scale variability.

South Dakota

Problems with sampling desert tortoises: A simulation analysis based on field data

The desert tortoise (Gopherus agassizii) was listed as a U.S. threatened species in 1990 based largely on population declines inferred from mark-recapture surveys of 2.59-km2 (1-mi2) plots. Since then, several census methods have been proposed and tested, but all methods still pose logistical or statistical difficulties. We conducted computer simulations using actual tortoise location data from 2 1-mi2 plot surveys in southern California, USA, to identify strengths and weaknesses of current sampling strategies. We considered tortoise population estimates based on these plots as "truth" and then tested various sampling methods based on sampling smaller plots or transect lines passing through the mile squares. Data were analyzed using Schnabel's mark-recapture estimate and program CAPTURE. Experimental subsampling with replacement of the 1-mi2 data using 1-km2 and 0.25-km2 plot boundaries produced data sets of smaller plot sizes, which we compared to estimates from the 1-mi 2 plots. We also tested distance sampling by saturating a 1-mi 2 site with computer simulated transect lines, once again evaluating bias in density estimates. Subsampling estimates from 1-km2 plots did not differ significantly from the estimates derived at 1-mi2. The 0.25-km2 subsamples significantly overestimated population sizes, chiefly because too few recaptures were made. Distance sampling simulations were biased 80% of the time and had high coefficient of variation to density ratios. Furthermore, a prospective power analysis suggested limited ability to detect population declines as high as 50%. We concluded that poor performance and bias of both sampling procedures was driven by insufficient sample size, suggesting that all efforts must be directed to increasing numbers found in order to produce reliable results. Our results suggest that present methods may not be capable of accurately estimating desert tortoise populations.

California

Combining particle-tracking and geochemical data to assess public supply well vulnerability to arsenic and uranium

Flow-model particle-tracking results and geochemical data from seven study areas across the United States were analyzed using three statistical methods to test the hypothesis that these variables can successfully be used to assess public supply well vulnerability to arsenic and uranium. Principal components analysis indicated that arsenic and uranium concentrations were associated with particle-tracking variables that simulate time of travel and water fluxes through aquifer systems and also through specific redox and pH zones within aquifers. Time-of-travel variables are important because many geochemical reactions are kinetically limited, and geochemical zonation can account for different modes of mobilization and fate. Spearman correlation analysis established statistical significance for correlations of arsenic and uranium concentrations with variables derived using the particle-tracking routines. Correlations between uranium concentrations and particle-tracking variables were generally strongest for variables computed for distinct redox zones. Classification tree analysis on arsenic concentrations yielded a quantitative categorical model using time-of-travel variables and solid-phase-arsenic concentrations. The classification tree model accuracy on the learning data subset was 70%, and on the testing data subset, 79%, demonstrating one application in which particle-tracking variables can be used predictively in a quantitative screening-level assessment of public supply well vulnerability. Ground-water management actions that are based on avoidance of young ground water, reflecting the premise that young ground water is more vulnerable to anthropogenic contaminants than is old ground water, may inadvertently lead to increased vulnerability to natural contaminants due to the tendency for concentrations of many natural contaminants to increase with increasing ground-water residence time.

Journal of Hydrology

Chamber measurement of surface-atmosphere trace gas exchange: Numerical evaluation of dependence on soil interfacial layer, and source/sink products

We employed a three-dimensional finite difference gas diffusion model to simulate the performance of chambers used to measure surface-atmosphere tace gas exchange. We found that systematic errors often result from conventional chamber design and deployment protocols, as well as key assumptions behind the estimation of trace gas exchange rates from observed concentration data. Specifically, our simulationshowed that (1) when a chamber significantly alters atmospheric mixing processes operating near the soil surface, it also nearly instantaneously enhances or suppresses the postdeployment gas exchange rate, (2) any change resulting in greater soil gas diffusivity, or greater partitioning of the diffusing gas to solid or liquid soil fractions, increases the potential for chamber-induced measurement error, and (3) all such errors are independent of the magnitude, kinetics, and/or distribution of trace gas sources, but greater for trace gas sinks with the same initial absolute flux. Finally, and most importantly, we found that our results apply to steady state as well as non-steady-state chambers, because the slow rate of gas diffusion in soil inhibits recovery of the former from their initial non-steady-state condition. Over a range of representative conditions, the error in steady state chamber estimates of the trace gas flux varied from -30 to +32%, while estimates computed by linear regression from non-steadystate chamber concentrations were 2 to 31% too small. Although such errors are relatively small in comparison to the temporal and spatial variability characteristic of trace gas exchange, they bias the summary statistics for each experiment as well as larger scale trace gas flux estimates based on them.

Journal of Geophysical Research D: Atmospheres

Predicted pH at the domestic and public supply drinking water depths, Central Valley, California

This scientific investigations map is a product of the U.S. Geological Survey (USGS) National Water-Quality Assessment (NAWQA) project modeling and mapping team. The prediction grids depicted in this map are of continuous pH and are intended to provide an understanding of groundwater-quality conditions at the domestic and public supply drinking water zones in the groundwater of the Central Valley of California. The chemical quality of groundwater and the fate of many contaminants is often influenced by pH in all aquifers. These grids are of interest to water-resource managers, water-quality researchers, and groundwater modelers concerned with the occurrence of natural and anthropogenic contaminants related to pH. In this work, the median well depth categorized as domestic supply was 30 meters below land surface, and the median well depth categorized as public supply is 100 meters below land surface. Prediction grids were created using prediction modeling methods, specifically boosted regression trees (BRT) with a Gaussian error distribution within a statistical learning framework within the computing framework of R ( http://www.r-project.org/ ). The statistical learning framework seeks to maximize the predictive performance of machine learning methods through model tuning by cross validation. The response variable was measured pH from 1,337 wells and was compiled from two sources: USGS National Water Information System (NWIS) database (all data are publicly available from the USGS: http://waterdata.usgs.gov/ca/nwis/nwis ) and the California State Water Resources Control Board Division of Drinking Water (SWRCB-DDW) database (water quality data are publicly available from the SWRCB: http://www.waterboards.ca.gov/gama/geotracker_gama.shtml ). Only wells with measured pH and well depth data were selected, and for wells with multiple records, only the most recent sample in the period 1993–2014 was used. A total of 1,003 wells (training dataset) were used to train the BRT model, and 334 wells (hold-out dataset) were used to validate the prediction model. The training r-squared was 0.70, and the root-mean-square error (RMSE) in standard pH units was 0.26. The hold-out r-squared was 0.43, and RMSE in standard pH units was 0.37. Predictor variables consisting of more than 60 variables from 7 sources were assembled to develop a model that incorporates regional-scale soil properties, soil chemistry, land use, aquifer textures, and aquifer hydrology. Previously developed Central Valley model outputs of textures (Central Valley Textural Model, CVTM; Faunt and others, 2010) and MODFLOW-simulated vertical water fluxes and predicted depth to water table (Central Valley Hydrologic Model, CVHM; Faunt, 2009) were used to represent aquifer textures and groundwater hydraulics, respectively. In this work, wells were attributed to predictor variable values in ArcGIS using a 500-meter buffer. Faunt, C.C., ed., 2009, Groundwater availability in the Central Valley aquifer, California: U.S. Geological Survey Professional Paper 1776, 225 p., accessed at https://pubs.usgs.gov/pp/1766/ . Faunt, C.C., Belitz, K., and Hanson, R.T., 2010, Development of a three-dimensional model of sedimentary texture in valley-fill deposits of Central Valley, California, USA: Hydrogeology Journal, v. 18, no. 3, p. 625–649, https://doi.org/10.1007/s10040-009-0539-7 .

California