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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

The influence of slaughterhouse waste on fermentative H{sub 2} production from food waste: Preliminary results

Highlights: • Co-digestion process finalized to bio-H{sub 2} production was tested in batch tests. • Slaughterhouse waste (SHW) and food waste (FW) were co-digested in different proportions. • The presence of SHW affected the H{sub 2} production from FW. • When SHW ranging between 50% and 70% the H{sub 2} production is improved. • SHW percentages above 70%, led to a depletion in H{sub 2} production. - Abstract: The aim of this study was to evaluate the influence of slaughterhouse waste (SHW; essentially the skin, fats, and meat waste of pork, poultry, and beef) in a fermentative co-digestion process for H{sub 2} production from pre-selected organic waste taken from a refectory (food waste [FW]). Batch tests under mesophilic conditions were conducted in stirred reactors filled with different proportions of FW and SHW. The addition of 60% and 70% SHW to a mixture of SHW and FW improved H{sub 2} production compared to that in FW only, reaching H{sub 2}-production yields of 145 and 109 ml gVS{sub 0}{sup -1}, respectively, which are 1.5–2 times higher than that obtained with FW alone. Although the SHW ensured a more stable fermentative process due to its high buffering capacity, a depletion of H{sub 2} production occurred when SHW fraction was higher than 70%. Above this percentage, the formation of foam and aggregated material created non-homogenous conditions of digestion. Additionally, the increasing amount of SHW in the reactors may lead to an accumulation of long chain fatty acids (LCFAs), which are potentially toxic for anaerobic microorganisms and may inhibit the normal evolution of the fermentative process.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Invariant Molecular Representations for Heterogeneous Catalysis

Catalyst screening is a critical step in the discovery and development of heterogeneous catalysts, which are vital for a wide range of chemical processes. In recent years, computational catalyst screening, primarily through density functional theory (DFT), has gained significant attention as a method for identifying promising catalysts. However, the computation of adsorption energies for all likely chemical intermediates present in complex surface chemistries is computationally intensive and costly due to the expensive nature of these calculations and the intrinsic idiosyncrasies of the methods or data sets used. This study introduces a novel machine learning (ML) method to learn adsorption energies from multiple DFT functionals by using invariant molecular representations (IMRs). To do this, we first extract molecular fingerprints for the reaction intermediates and later use a Siamese-neural-network-based training strategy to learn invariant molecular representations or the IMR across all available functionals. Our Siamese network-based representations demonstrate superior performance in predicting adsorption energies compared with other molecular representations. Notably, when considering mean absolute values of adsorption energies as 0.43 eV (PBE-D3), 0.46 eV (BEEF-vdW), 0.81 eV (RPBE), and 0.37 eV (scan+rVV10), our IMR method has achieved the lowest mean absolute errors (MAEs) of 0.18 0.10, 0.16, and 0.18 eV, respectively. These results emphasize the superior predictive capacity of our Siamese network-based representations. The empirical findings in this study illuminate the efficacy, robustness, and dependability of our proposed ML paradigm in predicting adsorption energies, specifically for propane dehydrogenation on a platinum catalyst surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Assessing the Activity of Ni Clusters Supported on TiC(001) toward CO 2 and H 2 Dissociation

Small Ni particles supported on TiC(001) were shown to display a very high activity for the catalytic hydrogenation of CO 2 but the underlying chemistry is, to a large extent, unknown. Here, by means of periodic density functional theory (DFT) calculations with the BEEF–vdW functional, we explore the adsorption and subsequent dissociation of CO 2 and H 2 on several Ni n clusters ( n = 4, 9, 13, and 16) supported on TiC(001) and compare the results to those obtained for the bare Ni(111) and TiC(001) surfaces using exactly the same computational approach. The calculations reveal that the Ni n /TiC system exhibits stronger adsorption energies and lower dissociation energy barriers for CO 2 and H 2 than the bare Ni(111) and TiC(001) surfaces. Furthermore, this is in line with the experimental finding evidencing that the Ni/TiC system has a catalytic activity higher than that of the separated Ni and TiC constituents. In addition, the calculated results show that two-dimensional (2D) supported clusters adsorb CO 2 and H 2 stronger than the three-dimensional (3D) supported clusters and also the 2D clusters exhibit lower energy barriers for CO 2 dissociation. Within the 2D supported clusters, larger particles feature slightly stronger adsorption energies and lower CO 2 dissociation energy barriers. Finally, H 2 dissociation proceeds with a very low energy barrier on all of the studied models, which makes these novel systems potential good candidates for hydrogenation reactions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Modeling C–H Bond Activation and Oxidations of Alkanes over Cu–MOR Using First-Principles Methods

Direct conversion of methane to methanol can significantly boost the economic value of shale gas utilization. However, the stable C–H bond makes methane partial oxidation a challenging catalysis task. At low temperatures, C–H bond activation is kinetically sluggish. On the other hand, methane is likely oxidized fully into CO2 at high temperatures, which will lower methanol selectivity. Several Cu–oxo complexes such as mono(μ-oxo)dicopper, bis(μ-oxo)dicopper, and copper trioxo anchored in the mordenite (MOR) zeolite framework are shown to balance catalytic activity and product selectivity for the methane-to-methanol conversion. In this work, the thermodynamic stability of Cu–oxo complexes was evaluated as active centers for C–H bond activation using the BEEF-vdW functional within the density functional theory (DFT) framework, and the bis(μ-oxo)dicopper moiety was identified as the most stable configuration. The catalytic reactivity of these complexes was then tested with the activation of the first C–H bond of light hydrocarbons (i.e., methane, ethane, and propane), as well as subsequent oxidation steps to corresponding alcohols. Site II of the Cu–trioxo cluster with highest spin density remains as the most potent active site by enabling the lowest energy barrier for initial methane activation when electronic spin crossing was considered. Energy barriers for the first C–H activation step follow a decreasing order of methane, ethane, and propane.

Xu, Jiayi↗
DOE OSTI2023

Modeling the Effect of Surface Platinum–Tin Alloys on Propane Dehydrogenation on Platinum–Tin Catalysts

Uncertainty analysis, reported experimental literature data, and density functional theory were synthesized to model the effect of surface tin coverage on platinum-based catalysts for nonoxidative propane dehydrogenation to propylene. Here, this study tests four different platinum–tin skin surface models as potential catalytic sites, Pt 3 Sn/Pt(100), PtSn/Pt(100), Pt 3 Sn/Pt(111), and Pt 2 Sn/Pt(211), and compares them to the corresponding pure Pt surface sites using an uncertainty analysis methodology that uses BEEF-vdW with its ensembles (BMwE) to generate the uncertainty for the energies of the intermediates and transition states. One experimental data set with two experimental observations, selectivity to propylene and turnover frequency of propylene, was used as a calibration data set to evaluate the impact of the experimental data on informing the models. This study finds that the prior model for Pt 3 Sn/Pt(100) is the most active and Pt 2 Sn/Pt(211) is the most selective toward propylene. Active sites on the (100) facet have the highest probability of being responsible for C 1 and C 2 product formations (C–C bond cleavage). Increasing the Sn coverage on the (100) surface facet to a PtSn/Pt(100) active site leads to a significantly reduced rate and might explain the experimentally observed higher selectivity of Sn-doped catalysts relative to pure Pt catalysts. Next, this study finds that for all surfaces, except PtSn/Pt(100), the rate-controlling steps are the initial dehydrogenation steps alongside some partially rate-controlling second dehydrogenation steps. For PtSn/Pt(100), only the initial terminal dehydrogenation step to CH 3 CH 2 CH 2 * and second dehydrogenation steps are rate-controlling. Next, the calibrated models for all surfaces were found to be selective toward propylene production and model the reported turnover frequency successfully. Nevertheless, Pt 2 Sn/Pt(211) emerges as the active site with some (minor) evidence as the main active site based on Jeffreys’ scale interpretation of Bayes factors. This observation agrees with prior studies that also found step sites to be most likely the most relevant active sites for pure Pt catalysts. Overall, the results indicate that tin, in addition to affecting the binding strength of the adsorbed species, prevents deeper dehydrogenation (reducing coking) and cracking reactions through increasing activation barriers for unwanted side reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Partial Oxidation of Methanol on MoO 3 (010): A DFT and Microkinetic Study

Methanol oxidation is employed as a probe reaction to evaluate the catalytic properties of the (010) facets of molybdenum trioxide (MoO 3 ), a reducible oxide that exhibits a rich interplay of catalytic chemistry and structural transformations. The reaction mechanism is investigated with a combination of electronic structure calculations, using the BEEF-vdW and HSE06 functionals, and mean-field microkinetic modeling. Considered pathways include vacancy formation and oxidation, monomolecular dehydrogenation of methanol on reduced and nonreduced surfaces, bimolecular reactions between dehydrogenated intermediates, and precursor steps for hydrogen molybdenum phase (H y MoO 3–x ) formation. Methanol dissociation begins with C–H or O–H scission, with the O–H route found to be kinetically and thermodynamically preferred. Dehydrogenation of CH 2 O* to CHO* is slow in comparison to desorption, leading to complete selectivity toward CH 2 O. C–H scission of CH 3 O* and recombination of dissociated OH* to form H 2 O* are kinetically significant steps exhibiting positive degrees of rate control, while oxidation of the reduced surface through adsorbed O 2 has a negative degree of rate control. The energetics of the latter elementary step are somewhat sensitive to the choice of density functional, and although this does not affect the predicted reaction orders, the overall rate may change. To estimate the impact of the surface oxidation state on the kinetics, the external pressure of oxygen is varied in the microkinetic model, and the reaction rate is found to follow a volcano-like dependency, with the optimum rate located where surface oxidation neither promotes nor inhibits the overall rate. In conclusion, the methodology demonstrated in this study should be more broadly applicable to modeling catalytic kinetics on reducible oxide single-crystal surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Visualisation of distribution of gold nanoparticles in liver tissues ex vivo and in vitro using the method of optical coherence tomography

The possibility of visualising the distribution of gold nanoparticles in liver by means of the method of optical coherence tomography is studied experimentally in model samples of beef liver in vitro and rat liver ex vivo. In the experiments we used the gold nanoparticles in the form of nanocages with resonance absorption in the near-IR spectral region. In the model studies the suspension of nanoparticles was applied to the surface of the sample, which then was treated with ultrasound. In the ex vivo studies the suspension of nanoparticles was injected to the laboratory rats intravenously. The image contrast and the optical depth of detection of blood vessels and liver structure components are calculated, as well as the depth of liver optical probing before and after the injection of nanoparticles. It was shown that the administration of the nanoparticle increases significantly the imaging contrast of liver blood vessels owing to the localisation of the nanoparticles therein.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Adsorption on transition metal surfaces: Transferability and accuracy of DFT using the ADS41 dataset

We present a benchmarking study of adsorption energies on transition metal surfaces computed with select functionals across different density functional theory codes. In addition to gradient corrected functionals, we evaluate the accuracies of representative metaGGAs, including MS2, SCAN, and SCAN+rVV10 , as well as a short-range screened hybrid functional, HSE06. The study shows that the challenge of finding a functional that can simultaneously capture both covalent and noncovalent molecule-surface interactions persists, with no single functional in the benchmarking study with average errors < 0.2 eV. We find that HSE06 on average does not improve the accuracy compared to PBE for the surface chemistry of transition metals. The BEEF-vdW dispersion-corrected generalized gradient approximation (GGA) and the MS2 metaGGA yield the lowest errors in both chemisorption and dispersion energies, demonstrating that moving up the Jacob's ladder of functionals to screened hybrids does not necessarily improve the description of transition metal surface chemistry.

36 MATERIALS SCIENCE↗
DOE OSTI2016

mBEEF-vdW: Robust fitting of error estimation density functionals

Here, we propose a general-purpose semilocal/nonlocal exchange-correlation functional approximation, named mBEEF-vdW. The exchange is a meta generalized gradient approximation, and the correlation is a semilocal and nonlocal mixture, with the Rutgers-Chalmers approximation for van der Waals (vdW) forces. The functional is fitted within the Bayesian error estimation functional (BEEF) framework. We improve the previously used fitting procedures by introducing a robust MM-estimator based loss function, reducing the sensitivity to outliers in the datasets. To more reliably determine the optimal model complexity, we furthermore introduce a generalization of the bootstrap 0.632 estimator with hierarchical bootstrap sampling and geometric mean estimator over the training datasets. Using this estimator, we show that the robust loss function leads to a 10% improvement in the estimated prediction error over the previously used least-squares loss function. The mBEEF-vdW functional is benchmarked against popular density functional approximations over a wide range of datasets relevant for heterogeneous catalysis, including datasets that were not used for its training. Overall, we find that mBEEF-vdW has a higher general accuracy than competing popular functionals, and it is one of the best performing functionals on chemisorption systems, surface energies, lattice constants, and dispersion. We also show the potential-energy curve of graphene on the nickel(111) surface, where mBEEF-vdW matches the experimental binding length. mBEEF-vdW is currently available in gpaw and other density functional theory codes through Libxc, version 3.0.0.

36 MATERIALS SCIENCE↗
DOE OSTI2014

MO-G-17A-03: MR-Based Cortical Bone Segmentation for PET Attenuation Correction with a Non-UTE 3D Fast GRE Sequence

Purpose: To determine the feasibility of identifying cortical bone on MR images with a short-TE 3D fast-GRE sequence for attenuation correction of PET data in PET/MR. Methods: A water-fat-bone phantom was constructed with two pieces of beef shank. MR scans were performed on a 3T MR scanner (GE Discovery™ MR750). A 3D GRE sequence was first employed to measure the level of residual signal in cortical bone (TE{sub 1}/TE{sub 2}/TE{sub 3}=2.2/4.4/6.6ms, TR=20ms, flip angle=25°). For cortical bone segmentation, a 3D fast-GRE sequence (TE/TR=0.7/1.9ms, acquisition voxel size=2.5×2.5×3mm{sup 3}) was implemented along with a 3D Dixon sequence (TE{sub 1}/TE{sub 2}/TR=1.2/2.3/4.0ms, acquisition voxel size=1.25×1.25×3mm{sup 3}) for water/fat imaging. Flip angle (10°), acquisition bandwidth (250kHz), FOV (480×480×144mm{sup 3}) and reconstructed voxel size (0.94×0.94×1.5mm{sup 3}) were kept the same for both sequences. Soft tissue and fat tissue were first segmented on the reconstructed water/fat image. A tissue mask was created by combining the segmented water/fat masks, which was then applied on the fast-GRE image (MRFGRE). A second mask was created to remove the Gibbs artifacts present in regions in close vicinity to the phantom. MRFGRE data was smoothed with a 3D anisotropic diffusion filter for noise reduction, after which cortical bone and air was separated using a threshold determined from the histogram. Results: There is signal in the cortical bone region in the 3D GRE images, indicating the possibility of separating cortical bone and air based on signal intensity from short-TE MR image. The acquisition time for the 3D fast-GRE sequence was 17s, which can be reduced to less than 10s with parallel imaging. The attenuation image created from water-fat-bone segmentation is visually similar compared to reference CT. Conclusion: Cortical bone and air can be separated based on intensity in MR image with a short-TE 3D fast-GRE sequence. Further research is required to optimize the strategy to reduce Gibbs artifacts.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

TH-C-17A-04: Shining Light On the Implementation of Cherenkov Emission in Radiation Therapy

Purpose: We hypothesize that Cherenkov emission (CE) by radiotherapy beams is correlated with radiation dose, CE detection can be maximized by a spectral shift towards the near-infrared (NIR) window of biological tissue, and in certain tissue types (ex. breast/oropharynx), it could prove superior to mega-voltage (MV) imaging. Therefore, we compare CE imaging to onboard MV imaging. Methods: Dose-CE correlation was investigated via simulation and experiment. A Monte Carlo (MC) CE simulator was designed using Geant4. Experimental phantoms include: water; tissuesimulating phantom composed of water, fat emulsion, and beef blood; plastic phantom with solid water insert. The optical spectrometry system consisted of a multi-mode optical fiber and diffraction-grating spectrometer incorporating a front/back-illuminated charge-coupled device (CCD). CdSe/ZnS quantum dots (QDs), emitting at (650±10) nm, were used to achieve NIR shift of the CE signal. CE and MV images were acquired with a complementary metal-oxide-semiconductor (CMOS) camera and an electronic portal imaging device (EPID), respectively. Results: MC and experimental studies indicate a strong linear correlation between radiation dose and CE (Pearson coefficient > 0.99). CE by an 18 MeV beam was effectively shifted towards the NIR in water and in a tissue-simulating phantom, exhibiting a 50% increase at 650 nm for QD depths of ∼3 mm. CE images exhibited relative contrast superior to EPID images by a factor of 30. Conclusion: Our work supports the potential for application of CE in radiotherapy online imaging for patient setup and treatment verification, since CE is intrinsic to the beam and non-ionizing, and QDs can be used to improve CE detectability, yielding image quality superior to MV imaging for the case of low density variability, low optical attenuation materials, such as breast or oropharyngeal cavities. Ongoing work involves microenvironment functionalization of QDs and application of multichannel spectrometry for simultaneous acquisition of dosimetric and tumor oxygenation signals. Funding received from the following organizations: Natural Sciences and Engineering Research Council of Canada, McGill University. YZ acknowledges partial support by the CREATE Medical Physics Research Training Network grant of the Natural Sciences and Engineering Research Council (Grant number: 432290)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

Poster — Thur Eve — 18: Cherenkov Emission By High-Energy Radiation Therapy Beams: A Characterization Study

We investigate Cherenkov emission (CE) by radiotherapy beams via radiation dose-versus-CE correlation analyses, CE detection optimization by means of a spectral shift towards the near-infrared (NIR) window of biological tissue, and comparison of CE to on-board MV imaging. Dose-CE correlation was investigated via simulation and experiment. A Monte Carlo (MC) CE simulator was designed using Geant4. Experimental phantoms include: water; tissue-simulating phantom composed of water, Intralipid®, and beef blood; plastic phantom with solid water insert. The detector system comprises an optical fiber and diffraction-grating spectrometer incorporating a front/back-illuminated CCD. The NIR shift was carried out with CdSe/ZnS quantum dots (QDs), emitting at (650±10) nm. CE and MV images were acquired with a CMOS camera and electronic portal imaging device. MC and experimental studies indicate a strong linear dose-CE correlation (Pearson coefficient > 0.99). CE by an 18-MeV beam was effectively NIR-shifted in water and a tissue-simulating phantom, exhibiting a significant increase at 650 nm for QD depths up to 10 mm. CE images exhibited relative contrast superior to MV images by a factor of 30. Our work supports the potential for application of CE in radiotherapy online imaging for patient setup and treatment verification, since CE is intrinsic to the beam and non-ionizing and QDs can be used to improve CE detectability, potentially yielding image quality superior to MV imaging for the case of low-density-variability, low-optical-attenuation materials (ex: breast/oropharynx). Ongoing work involves microenvironment functionalization of QDs and application of multi-channel spectrometry for simultaneous acquisition of dosimetric and tumor oxygenation signals.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

MO-F-CAMPUS-I-03: Tissue Equivalent Material Phantom to Test and Optimize Coherent Scatter Imaging for Tumor Classification

Purpose: To accurately model different breast geometries using a tissue equivalent phantom, and to classify these tissues in a coherent x-ray scatter imaging system. Methods: A breast phantom has been designed to assess the capability of coded aperture coherent x-ray scatter imaging system to classify different types of breast tissue (adipose, fibroglandular, tumor). The tissue-equivalent phantom was modeled as a hollow plastic cylinder containing multiple cylindrical and spherical inserts that can be positioned, rearranged, or removed to model different breast geometries. Each enclosure can be filled with a tissue-equivalent material and excised human tumors. In this study, beef and lard, placed inside 2-mm diameter plastic Nalgene containers, were used as surrogates for fibroglandular and adipose tissue, respectively. The phantom was imaged at 125 kVp, 40 mA for 10 seconds each with a 1-mm pencil beam. The raw data were reconstructed using a model-based reconstruction algorithm and yielded the location and form factor, or momentum transfer (q) spectrum of the materials that were imaged. The measured material form factors were then compared to the ground truth measurements acquired by x-ray diffraction (XRD) imaging. Results: The tissue equivalent phantom was found to accurately model different types of breast tissue by qualitatively comparing our measured form factors to those of adipose and fibroglandular tissue from literature. Our imaging system has been able to define the location and composition of the various materials in the phantom. Conclusion: This work introduces a new tissue equivalent phantom for testing and optimization of our coherent scatter imaging system for material classification. In future studies, the phantom will enable the use of a variety of materials including excised human tissue specimens in evaluating and optimizing our imaging system using pencil- and fan-beam geometries. United States Department of Homeland Security Duke University Medical Center - Department of Radiology Carl E Ravin Advanced Imaging Laboratories Duke University Medical Physics Graduate Program.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

WE-EF-210-06: Ultrasound 2D Strain Measurement of Radiation-Induced Toxicity: Phantom and Ex Vivo Experiments

Purpose: Radiation-induced fibrosis is a common long-term complication affecting many patients following cancer radiotherapy. Standard clinical assessment of subcutaneous fibrosis is subjective and often limited to visual inspection and palpation. Ultrasound strain imaging describes the compressibility (elasticity) of biological tissues. This study’s purpose is to develop a quantitative ultrasound strain imaging that can consistently and accurately characterize radiation-induce fibrosis. Methods: In this study, we propose a 2D strain imaging method based on deformable image registration. A combined affine and B-spline transformation model is used to calculate the displacement of tissue between pre-stress and post-stress B-mode image sequences. The 2D displacement is estimated through a hybrid image similarity measure metric, which is a combination of the normalized mutual information (NMI) and normalized sum-of-squared-differences (NSSD). And 2D strain is obtained from the gradient of the local displacement. We conducted phantom experiments under various compressions and compared the performance of our proposed method with the standard cross-correlation (CC)- based method using the signal-to-noise (SNR) and contrast-to-noise (CNS) ratios. In addition, we conducted ex-vivo beef muscle experiment to further validate the proposed method. Results: For phantom study, the SNR and CNS values of the proposed method were significantly higher than those calculated from the CC-based method under different strains. The SNR and CNR increased by a factor of 1.9 and 2.7 comparing to the CC-based method. For the ex-vivo experiment, the CC-based method failed to work due to large deformation (6.7%), while our proposed method could accurately detect the stiffness change. Conclusion: We have developed a 2D strain imaging technique based on the deformable image registration, validated its accuracy and feasibility with phantom and ex-vivo data. This 2D ultrasound strain imaging technology may be valuable as physicians try to eliminate radiation-induce fibrosis and improve the therapeutic ratio of cancer radiotherapy. This research is supported in part by DOD PCRP Award W81XWH-13-1-0269, and National Cancer Institute (NCI) Grant CA114313.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

New radiocarbon dates and the herder occupation at Kasteelberg B, South Africa [NEW RADIOCARBON DATES SHED LIGHT ON THE HERDER OCCUPATION SEQUENCE AT KASTEELBERG B, SOUTH AFRICA]

In this paper, we present that five centuries ago, the first European mariners rounding the Cape of Good Hope encountered Khoekhoe-speaking people who occasionally supplied beef and mutton in return for iron, tobacco, alcohol and other exotic goods. The origin of their livestock, as well as of the Khoekhoen themselves, continues to intrigue academics. We now know the first livestock were introduced from the north and that they reached southern Africa over 2000 years ago (Robbins et al. 2005; Pleurdeau et al. 2012). Y-chromosome E3b1f-M293 (Henn et al. 2008) and lactase persistence allele -14010*C (Macholdt et al. 2014) indicate that some Khoe-speakers are distantly related through the male lineage to pastoralists in East Africa (Barbieri et al. 2014); a conclusion that is supported by linguists who locate the origins of proto-Khoe languages in that part of the continent (e.g., Güldemann 2008). But it remains unclear whether the earliest livestock in southern Africa arrived with immigrant Khoespeakers, or whether the Khoe-speakers arrived later: the first livestock may have been traded down the line or infiltrated among southern African San hunter-gatherers (e.g., Sadr 2015).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Fracture Description of the HFTS-2 Slant Core, Delaware Basin, West Texas

Previous work in the Midland Basin Hydraulic Fracture Test Site project (HFTS1) has shown the value of core recovered from a stimulated volume in providing information on the geometry and extent of hydraulic fractures. This project (HFTS2) is in the Wolfcamp Formation of the Delaware Basin. A slant core through the stimulated volume was acquired above and below a stimulated well and the results of the fracture description are presented here. Here, nine, 3-inch-diameter whole cores from the slant well were examined for fractures prior to slabbing, together with a CT scan of the core. We used criteria developed during the HFTS1 project to identify hydraulic, natural, drilling-induced and core-handling fractures. Material collected from a few fracture faces was cleaned, sieved, and examined under a microscope to look for proppant. A total of 1261 fractures, including 500 hydraulic fractures, were described in 948 feet of core. Hydraulic fractures are not evenly distributed through the cores; they tend to occur in clusters. Many are remarkably planar, smooth, and featureless, while others have twist hackles, steps, plumose, and kinks. Natural, subvertical fractures, mostly less than 1 mm in width, sealed with blocky calcite, are oriented NE-SW (Set 1) and WNW-ESE (Set 2). Two Set 1 fractures have drusy cement on parted faces and were possibly open prior to drilling. A few subvertical sealed fractures with different orientations are also present. Bed-parallel natural fractures, most having fibrous cement (beef), and some showing top-to-north bed-parallel shear are present. Faults with normal/oblique movement were found in one part of the core. Drilling induced and core-handling breaks were identified in all cores, and were also noted to have reactivated some natural fractures. The results from this work will allow hydraulic fracture distribution relative to the stimulated well to be assessed. The number of fractures is generally greater than the number of perforations, but these can be compared for different stages and perforation clusters. Surface features provide information about the direction of hydraulic fracture propagation and about segmentation and bifurcation that might increase the number of fracture strands. Reactivation of natural fractures, including bedding-parallel fractures, occurs although the mechanism of parting is mostly unknown. The wider HFTS2 project will make use of this fracture description to improve hydraulic fracture modeling (geomechanics and engineering), to help explain pressure depletion and fiber optics observations (reservoir depletion and frac geometry), to help verify indirect fracture diagnostic techniques such as microseismic monitoring (geophysics), and to help calibrate horizontal well image logs.

58 GEOSCIENCES↗
DOE OSTI2021

AmeriFlux US-HWB USDA ARS Pasture Sytems and Watershed Management Research Unit- Hawbecker Site

This is the AmeriFlux version of the carbon flux data for the site US-HWB USDA ARS Pasture Sytems and Watershed Management Research Unit- Hawbecker Site. Site Description - Hawbecker farm is owned by Penn State University. The farming that took place was performed by their Farm Operations Division. The ground is rolling terrain, next to wooded areas, the Beef and Sheep Reasearch Farm, The University Airport, and other large fields maintained by Farm Operations. At the time of this collection period, the site housed another Meteorological Site, a Phenocam, and the GraceNet plots. Crop Rotation during period was 2 years Alfalfa, 1 year Corn for grain and 1 year Wheat.

Goslee, Sarah↗
DOE OSTI2022

AmeriFlux FLUXNET-1F US-HWB USDA ARS Pasture Sytems and Watershed Management Research Unit- Hawbecker Site

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-HWB USDA ARS Pasture Sytems and Watershed Management Research Unit- Hawbecker Site. This is the FLUXNET version of the carbon flux data for the site US-HWB USDA ARS Pasture Sytems and Watershed Management Research Unit- Hawbecker Site produced by applying the standard ONEFlux (1F) software. Site Description - Hawbecker farm is owned by Penn State University. The farming that took place was performed by their Farm Operations Division. The ground is rolling terrain, next to wooded areas, the Beef and Sheep Reasearch Farm, The University Airport, and other large fields maintained by Farm Operations. At the time of this collection period, the site housed another Meteorological Site, a Phenocam, and the GraceNet plots. Crop Rotation during period was 2 years Alfalfa, 1 year Corn for grain and 1 year Wheat.

Goslee, Sarah↗