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At least 163 records · Page 9

Unifying Quantum Materials Modeling and Experiments: The Role of Machine Learning Interatomic Potentials

Computational experiments have emerged as a powerful complement to traditional experiments in the design of new materials. The development of machine learning (ML) and deep learning techniques, combined with database construction and data mining, has significantly enhanced traditional quantum mechanical methods. This synergy enables the rapid development of structure-property relationships. In this talk, I will discuss our recent efforts in applying Machine Learning Interatomic Potentials (MLIAPs) to accelerate materials modeling across various material classes and challenging applications where traditional methods fall short. First, I will highlight the success of MLIAPs in accurately modeling the melting behavior of complex materials. Our results demonstrate high fidelity with experimental observations and also with calculated reference melting temperatures. In the second application, I will discuss how MLIAPs are trained and applied to elucidate the interplay between segregation tendencies and surface reconstructions in CuNi alloys under oxidizing conditions. A key factor in the success of these MLIAP applications is the design of minimalistic yet flexible datasets along with a computational framework for training MLIAPs.

Saidi, Wissam↗

STILGAR: Subsurface Models for Graymont Pleasant Gap Mine

The detection, location, and monitoring of underground structures are of great importance to national and global security. Tunnels and voids generate seismic signatures detectable at the surface, but using non-invasive seismic data to image near-surface presents several challenges in real-world applications. In this report, we describe the use of a dense surface seismic deployment to generate subsurface models of the Graymont Pleasant Gap mine - a single-layer mine with a complex structure embedded in a high-velocity P-wave limestone bedrock. Our approach consists of three key methods. We use P-wave arrival times from local blast events to perform a tomography inversion with the tomoTD method, constructing a P-wave velocity model of the subsurface. We model the layer above the mine using Rayleigh wave ellipticity and inversion techniques. We leverage ongoing anthropogenic activities to identify and locate noise sources both on the surface and within the subsurface. With this integrated approach we aim to overcome the challenges and enhance our ability to non-invasively characterize underground structures, contributing to improved seismic monitoring techniques.

58 GEOSCIENCES↗

Interdisciplinary applications and interpretations of ERTS data within the Susquehanna River Basin (resource inventory, land use, and pollution)

The author has identified the following significant results. An interdisciplinary group at Penn State University is analyzing ERTS-1 data. The geographical area of interest is that of the Susquehanna River Basin in Pennsylvania. The objectives of the work have been to ascertain the usefulness of ERTS-1 data in the areas of natural resources and land use inventory, geology and hydrology, and environmental quality. Specific results include a study of land use in the Harrisburg area, discrimination between types of forest resources and vegetation, detection of previously unknown geologic faults and correlation of these with known mineral deposits and ground water, mapping of mine spoils in the anthracite region of eastern Pennsylvania, and mapping of strip mines and acid mine drainage in central Pennsylvania. Both photointerpretive techniques and automatic computer processing methods have been developed and used, separately and in a combined approach.

Mcmurtry, G. J.↗

Investigations of Particle Velocities in a Slurry Pump Using PIV: The Tongue and Adjacent Channel Flow - Part 1

Transport of solid-liquid slurries in pipeline transport over short and medium distances is very important in many industries, including mining related processes. The particle image velocimetry technique was successfully utilized to investigate the velocities and kinetic energy fluctuations of slurry particles at the tongue region of an optically-clear centrifugal pump. The experiments were conducted using 500 micron glass beads at volumetric Concentrations of 2.5% and 5% and at pump speeds of 725 rpm and 1000 rpm. The fluctuation kinetic energy increased approximately 200% to 500% as the pump speed was increased from 725 rpm to IO00 rpm. The directional impingement mechanism is more significant at the pressure side of the blade, tongue and the casing. This mechanism becomes more important as the speed increases. This suggests that the impeller; tongue and the casing of the slurry pump can wear out quickly, especially with an increase in speed. In this paper the emphasis is on the tongue region. The random impingement mechanism caused by the fluctuation kinetic energy of the solids can play an important role on the erosion of the tongue area.

Kadambi, Jaikrishnan R.↗

Automated strip-mine and reclamation mapping from ERTS

The author has identified the following significant results. Computer processing techniques were applied to ERTS-1 computer-compatible tape (CCT) data acquired in August 1972 on the Ohio Power Company's coal mining operation in Muskingum County, Ohio. Processing results succeeded in automatically classifying, with an accuracy greater than 90%: (1) stripped earth and major sources of erosion; (2) partially reclaimed areas and minor sources of erosion; (3) water with sedimentation; (4) water without sedimentation; and (5) vegetation. Computer-generated tables listing the area in acres and square kilometers were produced for each target category. Processing results also included geometrically corrected map overlays, one for each target category, drawn on a transparent material by a pen under computer control. Each target category is assigned a distinctive color on the overlay to facilitate interpretation. The overlays, drawn at a scale of 1:250,000 when placed over an AMS map of the same area, immediately provided map locations for each target. These mapping products were generated at a tenth of the cost of conventional mapping techniques.

Rogers, R. H.↗

STILGAR End-of-Project Report

The Subsurface Tunnel Imaging LeveraGed by Analysis of Rayleigh wave ellipticity (STILGAR) project demonstrated an integrated geophysical approach for detecting, locating, and characterizing underground structural changes using dense seismic arrays and advanced inversion techniques. Field campaigns were conducted at two operational mines—the Redmond salt mine (Utah) and Graymont Pleasant Gap limestone mine (Pennsylvania)—providing real-world testbeds for monitoring anthropogenic subsurface activity. At the Redmond salt mine, seismic interferometry combined with back-projection inversion successfully identified continuous, low-amplitude signals from mining operations. The approach differentiated stationary from migrating anthropogenic sources, captured daily operational cycles, and validated the potential of passive seismic monitoring for remote detection of underground activity. At the Graymont Pleasant Gap mine, two dense seismic deployments in the spring and fall of 2023 generated over 4 TB of high-resolution data. Key outcomes included the relocation of 199 underground and 8 surface explosions with accuracies within tens of meters and the development of a 3D P-wave velocity model using the triple-difference tomography algorithm (tomoTD) that resolved major structural features such as the mine entrance, low-velocity tunnels, and roof-collapse areas. Ambient noise cross-correlation and back-projection analyses revealed persistent sources linked to ongoing mining activity, whereas horizontal-to-vertical spectral ratio (HVSR) and ellipticity studies confirmed stable site responses across seasons and identified soil thickness trends consistent with regional erosional and depositional processes. Checkerboard and sensitivity tests further validated the robustness of the tomographic results. Overall, the findings emphasize that although significant progress has been made in subsurface imaging, further work is needed to enhance the detection and localization of underground structures. Accurate imaging requires higher frequencies, yet anthropogenic sources tend to dominate the seismic record at those frequencies, and high-frequency surface waves are affected by higher modes that complicate interpretation. The improved detection and localization of human-induced signals enabled detailed temporal and spatial mapping of daily mine operations, demonstrating the feasibility of continuous anthropogenic source monitoring. Sensitivity to signals from nontraditional sources, such as fan operations, highlights the broader applicability of this approach to other industrial environments in which continuous and impulsive signals are present. The field campaigns produced a substantial volume of high-quality seismic data, supporting the development and testing of new methods for seismic source characterization and subsurface imaging. Future deployments should include sensors capable of recording lower frequencies to probe deeper structures, increase bandwidth to enhance resolution and sensitivity to both shallow and deep targets, and collect additional large-scale datasets to refine imaging and source characterization techniques. Moreover, conducting 3D modeling studies of seismic wavefields at higher frequencies will provide a better understanding of wave scattering and cavity–wavefield interactions in complex underground environments. In conclusion, the STILGAR project demonstrated that integrated seismic monitoring can effectively characterize underground operations, capturing both natural and anthropogenic signals. The approaches developed provide a foundation for improved detection, localization, and imaging of subsurface structures and are directly transferable to broader industrial monitoring applications.

58 GEOSCIENCES↗

Data Mining and Complex Problems: Case Study in Composite Materials

Data mining is defined as the discovery of useful, possibly unexpected, patterns and relationships in data using statistical and non-statistical techniques in order to develop schemes for decision and policy making. Data mining can be used to discover the sources and causes of problems in complex systems. In addition, data mining can support simulation strategies by finding the different constants and parameters to be used in the development of simulation models. This paper introduces a framework for data mining and its application to complex problems. To further explain some of the concepts outlined in this paper, the potential application to the NASA Shuttle Reinforced Carbon-Carbon structures and genetic programming is used as an illustration.

Rabelo, Luis↗

Changes in the Extent of Surface Mining and Reclamation in the Central Appalachians Detected Using a 1976-2006 Landsat Time Series

Surface mining and reclamation is the dominant driver of land cover land use change (LCLUC) in the Central Appalachian Mountain region of the Eastern U.S. Accurate quantification of the extent of mining activities is important for assessing how this LCLUC affects ecosystem services such as aesthetics, biodiversity, and mitigation of flooding.We used Landsat imagery from 1976, 1987, 1999 and 2006 to map the extent of surface mines and mine reclamation for eight large watersheds in the Central Appalachian region of West Virginia, Maryland and Pennsylvania. We employed standard image processing techniques in conjunction with a temporal decision tree and GIS maps of mine permits and wetlands to map active and reclaimed mines and track changes through time. For the entire study area, active surface mine extent was highest in 1976, prior to implementation of the Surface Mine Control and Reclamation Act in 1977, with 1.76% of the study area in active mines, declining to 0.44% in 2006. The most extensively mined watershed, Georges Creek in Maryland, was 5.45% active mines in 1976, declining to 1.83% in 2006. For the entire study area, the area of reclaimed mines increased from 1.35% to 4.99% from 1976 to 2006, and from 4.71% to 15.42% in Georges Creek. Land cover conversion to mines and then reclaimed mines after 1976 was almost exclusively from forest. Accuracy levels for mined and reclaimed cover was above 85% for all time periods, and was generally above 80% for mapping active and reclaimed mines separately, especially for the later time periods in which good accuracy assessment data were available. Among other implications, the mapped patterns of LCLUC are likely to significantly affect watershed hydrology, as mined and reclaimed areas have lower infiltration capacity and thus more rapid runoff than unmined forest watersheds, leading to greater potential for extreme flooding during heavy rainfall events.

Townsend, Philip A.↗

Exploiting Social Media Sensor Networks through Novel Data Fusion Techniques

Unprecedented amounts of data are continuously being generated by sensors (“hard” data) and by humans (“soft” data), and this data needs to be exploited to its full potential. The first step in exploiting this data is determine how the hard and soft data are related to each other. In this project we fuse hard and soft data, using the attributes of each (e.g., time and space), to gain more information about interesting events. Next, we attempt to use social networking textual data to predict the present (i.e., predict that an interesting event is occurring and details about the event) using data mining, machine learning, natural language processing, and text analysis techniques.

97 MATHEMATICS AND COMPUTING↗

A review study of rare Earth, Cobalt, Lithium, and Manganese in Coal-based sources and process development for their recovery

The world’s majority predominantly relies on foreign sources for supplying critical minerals. This renders the countries susceptible to supply chain disruption and urges them to develop alternative sources to compete in technological advancements. Among many proven newly identified sources, coal and coal-based materials present their opportunities. Due to the complex structure of coal, many mineral forms can be found in coal-related sources, including critical element-containing minerals. Among the fifty critical elements and minerals defined by the USGS, the rare earth elements, cobalt, lithium, and manganese, are particularly significant as they have enormous importance in high-technology product development. These critical metals can be found in high concentrations in coal-derived sources, such as coal refuse, coal combustion products, and coal acid mine drainage, and be recovered through various separation techniques. Further, this study aims to advance the understanding of these elements' extraction and commercial potential from coal and coal-related sources and help address the world's challenges in the critical mineral supply chain. The concentrations and occurrences of these four commodities in coal-related sources were first reviewed. Later, their recovery processes were discussed, and a conceptual process flowsheet was proposed to selectively recover the rare earth elements, lithium, cobalt, and manganese from coal-based sources.

58 GEOSCIENCES↗

Earth observations

The development of the Earth Resources Technology Satellites for making earth observations from space is discussed. The programmatic elements of the ERTS program are defined. The specific results of the program which are considered are as follows: (1) analysis of snowmelt runoff, (2) analysis of Mississippi River floods of 1973, (3) global ice surveys with an electrically scanning microwave radiometer, (4) the microwave signature of snow fields, (5) analysis of strip mining activities, (6) sea surface studies using microwave techniques during the Bering Sea experiment, (7) cloud types and measurement of rainfall, and (8) performance of various remote sensors.

Source record↗

Lunar Resource Assessment: an Industry Perspective

The goals of the U.S. space program are to return to the Moon, establish a base, and continue onward to Mars. To accomplish this in a relatively short time frame and to avoid the high costs of transporting materials from the Earth, resources on the Moon will need to be mined. Oxygen will be one of the most important resources, to be used as a rocket propellant and for life support. Ilmenite and lunar regolith have both been considered as ores for the production of oxygen. Resource production on the Moon will be a very important part of the U.S. space program. To produce resources we must explore to identify the location of ore or feedback and calculate the surface and underground reserves. Preliminary resource production tests will provide the information that can be used in final plant design. Bechtel Corporation's experience in terrestrial engineering and construction has led to an interest in lunar resource assessment leading to the construction of production facilities on the Moon. There is an intimate link between adequate resource assessment to define feedstock quantity and quality, material processing requirements, and the successful production of lunar oxygen. Although lunar resource assessment is often viewed as a research process, the engineering and production aspects are very important to consider. Resource production often requires the acquisition of different types, scales, or resolutions of data than that needed for research, and it is needed early in the exploration process. An adequate assessment of the grade, areal extent, and depth distribution of the resources is a prerequisite to mining. The need for a satisfactory resource exploration program using remote sensing techniques, field sampling, and chemical and physical analysis is emphasized. These data can be used to define the ore for oxygen production and the mining, processing facilities, and equipment required.

Feldman, S. C.↗

Integrating remote sensing techniques at Cuprite, Nevada: AVIRIS, Thematic Mapper, and field spectroscopy

The Cuprite mining district in southwestern Nevada has become a test site for remote sensing studies with numerous airborne scanners and ground sensor data sets collected over the past fifteen years. Structurally, the Cuprite region can be divided into two areas with slightly different alteration and mineralogy. These zones lie on either side of a postulated low-angle structural discontinuity that strikes nearly parallel to US Route 95. Hydrothermal alternation at Cuprite was classified into three major zones: silicified, opalized, and argillized. These alteration types form a bulls-eye pattern east of the highway and are more linear on the west side of the highway making a striking contrast from the air and the imagery. Cuprite is therefore an ideal location for remote sensing research as it exhibits easily identified hydrothermal zoning, is relatively devoid of vegetation, and contains a distinctive spectrally diagnostic mineral suite including the ammonium feldspar buddingtonite, several types of alunite, different jarosites, illite, kaolinite, smectite, dickite, and opal. This present study brings a new dimension to these previous remote sensing and ground data sets compiled for Cuprite. The development of a higher resolution field spectrometer now provides the capability to combine extensive in-situ mineralogical data with a new geologic field survey and detailed Airborne Visible/Infrared Imaging Spectrometers (AVIRIS) images. The various data collection methods and the refinement of the integrated techniques are discussed.

Hill, Bradley↗

Update on NREL Outdoor Exposure Campaign of Solar Mirrors

Beginning in 2018, the National Renewable Energy Laboratory restarted exposure campaigns on new and archived samples as part of a multiyear project, some with outdoor exposure for more than a decade. By resuming exposure and collecting and analyzing data on thousands of samples going back decades, several goals can be advanced that can be difficult to determine within the timeline of most projects: 1) correlating an accelerated exposure campaign to outdoor aging, specifically with xenon arc lamp exposure chambers; 2) drawing conclusions between specific corrosion mechanisms and weather patterns; and 3) finding novel relationships between mirror composition and performance. In addition to building and mining a database, we will experiment with new characterization techniques, primarily focused on macroscopic and microscopic imaging. In introducing these techniques more broadly, it may be possible to reveal a more direct line between optical performance and exposure campaigns by better understanding the degradation mechanisms occurring.

characterization techniques↗

Extraterrestrial materials processing and construction

Applications of available terrestrial skills to the gathering of lunar materials and the processing of raw lunar materials into industrial feed stock were investigated. The literature on lunar soils and rocks was reviewed and the chemical processes by which major oxides and chemical elements can be extracted were identified. The gathering of lunar soil by means of excavation equipment was studied in terms of terrestrial experience with strip mining operations on earth. The application of electrostatic benefication techniques was examined for use on the moon to minimize the quantity of materials requiring surface transport and to optimize the stream of raw materials to be transported off the moon for subsequent industrial use.

Criswell, D. R.↗

Distinguishing Indigenous from Contaminating Microorganisms in Rock Samples from a Deep Au Mine in South Africa

The concentration and distribution of microbial biomass within deep subsurface rock strata is not well known To date, most analyses are from water samples and a few cores. Hand samples, block samples and cores from an actively mined Carbon Leader ore zone at 3.2 kilometers depth were collected for microbial analyses. The Carbon Leader was comprised of quartz, S-bearing aromatic hydrocarbons, Fe(III) oxyhydroxides, sulfides, uraninite, Au and minor amounts of sulfate. The porosity of the ore was 1% and the maximum pore throat diameter was less than 0.1 microns; whereas, the porosity of the adjacent quartzite was .02 to .9% with a maximum pore throat diameter of 0.9 microns. Rhodamine dye, fluorescent microspheres, microbial enrichments, autoradiography, phospholipid fatty acid (PLEA) and 16S rDNA analyses were performed on these rock samples and the mining water. The date indicate that the levels of solute contamination less than 0.01% for pared rock samples. Despite this low level of contamination, PLEA, microbial enrichment, DNA and tracer analyses and calculations indicate that most of the viable microorganisms in the Carbon Leader represent gram negative aerobic heterotrophs and ammonia oxidizers that are phylogenetically identical or closely related to service water microorganisms. These microbial contaminants probably infiltrated the low permeability rock through mining-induced microfractures. Geochemical data also detected drilling water in a fault zone approx. 1 meter behind the rock face encountered during coring. The mining induced macrofractures that are common at these great depths act as pathways for the drilling water borne microorganisms into the lower temperature zone that extends several meters into rock strata from the rock face. Combined PLEA and T- RFLP analyses of the service water and Carbon Leader samples indicate that the concentration of indigenous microorganisms was less than 10(exp 2) cells/gram. Such a low concentrations result from the submicron pore throat diameters. PLFA. SO4-35 autoradiography and tracer analyses indicate that the bounding quartzite contains thermophilic sulfate reducing bacteria at 10(exp 3) cells/gram that are not attributable to drilling water contamination. The microorganisms may be surviving on sulfate generated by oxidation of sulfide by radiolytic reactions resulting from the high U concentration in the ore zone. The presence of up to 8,000 ppm of Fe(III) oxyhydroxides in the host rock will also act to recycle sulfide generated by the sulfate reducing bacteria into sulfate. The activity of these sulfate-reducing bacteria may be enhanced by mining induced fracturing which can propagate up to 40 meters into virgin rock where the temperatures are ca. 50 C, and decrepitate of sulfate rich fluid inclusions. In ultra deep mines, judicious application of tracers and multiple microbial characterization techniques can distinguish microbial contamination caused by the near field fracturing and drilling water migration from the indigenous microbial communities in rock strata. The importance of far field fracturing on indigenous microbial communities, however, remains unknown.

Onstott, T. C.↗

Knowledge Discovery and Data Mining: An Overview

The process of knowledge discovery and data mining is the process of information extraction from very large databases. Its importance is described along with several techniques and considerations for selecting the most appropriate technique for extracting information from a particular data set.

data mining knowledge discovery data search↗

A portable fiber optic sensor for the luminescent sensing of cobalt ions using carbon dots

Cobalt is critical to energy-relevant technologies, and demand for cobalt will increase significantly with growing global adoption of renewables. However, supply chain stability is threatened by economic and geopolitical factors, incentivizing domestic cobalt production from alternative resources such as coal, coal utilization byproducts (e.g., ash, acid mine drainage) and electronic waste. Rapid, inexpensive, and portable characterization techniques are needed to reduce production costs associated with cobalt prospecting and process monitoring. Here, in this research, we develop a compact, portable fiber optic luminescent probe for cobalt using phosphorus and nitrogen co-doped carbon dots as the sensing material. The carbon dot emission overlaps well with the cobalt absorption band at ~510 nm, leading to a selective decrease in emission as a function of cobalt concentration. The system responds nearly instantly to the presence of cobalt, with detection limits of 0.7 and 3.5 ppm in water and pH 1.68 buffer, respectively, providing comparable performance to a commercial spectrometer at a significantly lower cost. Moreover, the sensor is selective for cobalt in the presence of 13 of the most common metal ions encountered in coal utilization byproducts and is responsive to cobalt when spiked into an acid mine drainage leachate sample, highlighting the sensor's potential for real-world deployment in challenging matrices. In addition, integrating the carbon dots with a filter paper substrate produced ‘test strip’ sensors that exhibited a selective and sensitive visual response to cobalt using a handheld UV lamp. Taken together, the sensing system represents a significant step forward in the development of low-cost practical sensors for high-value metals in complex streams.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗