Search NASA⌕ Search

SEARCH · Search NASA

Results for “ADF”

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.

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

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Atomically sharp jagged edges of chemical vapor deposition-grown WS 2 for electrocatalysis

Chemical vapor deposition (CVD)-grown 2D transition metal dichalcogenides can adopt faceted edges. To investigate how sharp these sites can be, we utilize aberration-corrected annular dark-field scanning transmission electron microscopy (ADF-STEM) to resolve the atomic structure of two-dimensional (2D) WS 2 domains that show jagged edges. Nanoscale triangular edge structures with S zigzag terminations are observed. Both the peak and valley regions exhibit near-atomic sharpness. The peaks are as sharp as two atoms in width. Highly ordered valley sites display a minimum width of three atoms, and prospective single-atom valleys appear as two-atom-wide sites in the ADF-STEM contrast. Regarding the kinetics, density-functional theory (DFT) calculations indicate that the 2-W-atom peak would not evolve into a single-W-atom peak even though the latter configuration is also stable with a high enough binding energy under the growth conditions. These results help deepen our understanding of the possible structuring at the nanoscale and the atomic-scale limits of peaks and valleys formed via intersection of two zigzag edges. The enriched edge sites lead to higher catalytic activities for the hydrogen evolution reaction (HER).

36 MATERIALS SCIENCE↗
DOE OSTI2020

Augmenting machine learning of energy landscapes with local structural information

We present a machine learning approach for accurately predicting formation energies of binary compounds in the context of crystal structure predictions. The success of any machine learning model depends significantly on the choice of representation used to encode the relevant physical information into machine-learnable data. We test different representation schemes based on partial radial and angular distribution functions (RDF+ADF) on Al–Ni and Cd–Te structures generated using our genetic algorithm for structure prediction. We observe a remarkable improvement in predictive accuracy upon transitioning from global to atom-centered representations, resulting in a threefold decrease in prediction errors. We show that a support vector regression model using a combination of atomic radial and angular distribution functions performs best at the formation energy prediction task, providing small root mean squared errors of 3.9 meV/atom and 10.9 meV/atom for Al–Ni and Cd–Te, respectively. We test the performance of our models against common traditional descriptors and find that RDF- and ADF-based representations significantly outperform many of those in the prediction of formation energies. The high accuracy of predictions makes our machine learning models great candidates for the exploration of energy landscapes.

Honrao, Shreyas J. (ORCID:0000000166155257)↗
DOE OSTI2023

Multislice Electron Tomography Using Four-Dimensional Scanning Transmission Electron Microscopy

Electron tomography offers useful three-dimensional (3D) structural information, which cannot be observed by two-dimensional imaging. By combining annular dark-field scanning transmission electron microscopy (ADF STEM) with aberration correction, the resolution of electron tomography has reached atomic resolution. However, tomography based on ADF STEM inherently suffers from several issues, including a high electron-dose requirement, poor contrast for light elements, and artifacts from image-contrast nonlinearity. Here, we develop an alternative method called multislice electron tomography (MSET) based on four-dimensional STEM tilt series. In this study, our simulations show that multislice-based 3D reconstruction can effectively reduce undesirable reconstruction artifacts from the nonlinear contrast, allowing precise determination of atomic structures with improved sensitivity for low-Z elements, at considerably low electron-dose conditions. We expect that the MSET method can be applied to a wide variety of materials, including radiation-sensitive samples and materials containing light elements whose 3D atomic structures have never been fully elucidated due to electron-dose limitations or nonlinear imaging contrast.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Understanding syringeability and injectability of high molecular weight PEO solution through time-dependent force-distance profiles

Opioid medications play a vital role in treating moderate to severe pain. Unfortunately, many drug misusers and abusers attempt to alter the formulations or properties of these drugs by manipulation, (e.g., crushing, chewing, smoking, snorting, injecting). The intravenous (IV) route is most dangerous to abusers, as the drugs directly enter the circulatory system and produce intense euphoria. To obtain a full understanding of the impact of syringe factors (e.g., needle gauge size, needle length, syringe barrel size), on the ease of injection, we undertook a comprehensive assessment of syringeability and injectability of manipulated abuse-deterrent formulations (ADFs). A texture analyzer-based testing method was developed for the measurement of the resistance force of pulling, holding, and pushing phases of injections. Results showed that the finer needle gauge sizes required higher injection force to withdraw drug solutions. In addition, the syringed liquid volume was highly dependent on needle gauge size, holding time, and sample viscosity. In most cases, a lower needle gauge number and a longer holding time increased the syringed volume. Needle length was highly correlated to injection force (R 2 = 0.99). Using longer needles to inject drug solution requires greater force. Furthermore, large barrel size was correlated to pushing force (R 2 = 0.99); thus, increasing the difficulty of pushing the plunger of a large syringe with one hand. Lastly, relationships between injection force, sample viscosity, and testing conditions were elucidated using a mathematical model, which could be used in the future to assess and predict injection force of solution samples.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Determining critical overlap concentration of polyethylene oxide to support excipient safety assessment of opioid products

Intravenous administration of abuse-deterrent opioid products poses high safety risks, in part due to the presence of high molecular weight polymeric excipients. Previous in vivo studies in animal models have shown that the higher molecular weight (Mw) polymeric excipients like polyethylene oxide (PEO) were directly linked to such adverse responses as intravenous hemolysis and kidney damage. PEO polymers have been widely used in abuse-deterrent formulations (ADF) of opioid products, adding to concerns over the general safety of the opioid category due to the unknown safety risk from abuse via unintended routes. Here, the current study focused on the determination of the critical overlap concentration (c*) at various PEO molecular weights to aid in explaining differences in observed adverse responses from previous animal studies on the intravenous administration of PEO solutions. Adverse in vivo responses may be related to the viscoelastic regime of the polymer solution, which depends not only on Mw but also on concentration. Having a localized polymer concentration in the blood above the c*, i.e., the transition from the dilute to semi-dilute entangled viscoelastic regime, may influence the flow behavior and interactions of cells in the blood. The relationship of c* to this combination of physical, chemical, and rheological effects is a possible driving force behind adverse in vivo responses.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

PbI 2 Nanocrystal Growth by Atomic Layer Deposition from Pb(tmhd) 2 and HI

Atomic layer deposition (ALD) allows for fine control over the thickness, stoichiometry, and structural defects of materials. ALD provides a suitable route to deposit lead halides, which can further be converted to perovskites for photovoltaics, photoemission, and photodetection, among other applications. Deposition of lead halides by ALD has already begun to be explored; however, the precursors used in published processes are highly hazardous, require expensive fabrication processes, or contain impurities that can jeopardize the optoelectronic properties of metal halide perovskites after conversion. In this work, we deposited lead iodide (PbI 2 ) by a facile ALD process involving only two readily accessible and low-cost precursors. PbI 2 nanocrystals were grown on soda-lime glass (SLG), silicon dioxide support grids, and silicon wafer substrates and provided the groundwork for further investigation into developing lead halide perovskite processes by ALD. Further, the ALD-grown PbI 2 was characterized by annular dark-field scanning transmission electron microscopy (ADF-STEM), atomic force microscopy (AFM), high resolution transmission electron microscopy (HRTEM), X-ray fluorescence (XRF), and X-ray photoemission spectroscopy (XPS), among other methods. This work presents the first step to synthesize lead halide perovskites with atomic control for applications such as interfacial layers in photovoltaics and for deposition in microcavities for lasing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Imaging the electron charge density in monolayer MoS 2 at the Ångstrom scale

Four-dimensional scanning transmission electron microscopy (4D-STEM) has recently gained widespread attention for its ability to image atomic electric fields with sub-Ångstrom spatial resolution. These electric field maps represent the integrated effect of the nucleus, core electrons and valence electrons, and separating their contributions is non-trivial. In this paper, we utilized simultaneously acquired 4D-STEM center of mass (CoM) images and annular dark field (ADF) images to determine the projected electron charge density in monolayer MoS 2 . We evaluate the contributions of both the core electrons and the valence electrons to the derived electron charge density; however, due to blurring by the probe shape, the valence electron contribution forms a nearly featureless background while most of the spatial modulation comes from the core electrons. Our findings highlight the importance of probe shape in interpreting charge densities derived from 4D-STEM and the need for smaller electron probes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Solvent selection for biphasic extraction of 5-hydroxymethylfurfural via multiscale modeling and experiments

We introduce a comprehensive conceptual framework for selecting solvents for reactive extraction in biphasic organic-water systems and demonstrate it for the separation of HMF (5-hydroxylmethylfurfural), a platform chemical produced in the acid-catalyzed dehydration of hexoses. We first perform in silico screening of ~2500 solvents, from the ADFCRS-2018 database using the ADF COSMO-RS implementation, and classification, based on the solvent partition coefficient. We then determine experimentally the partition coefficients for HMF, fructose, and products of HMF rehydration (levulinic acid (LA), and formic acid (FA)), the mutual water-organic solvent solubilities, and the separation factors in >50 select solvents spanning multiple homologous series at room temperature and a typical reaction temperature with in situ sampling. We find that COSMO-RS is excellent for screening purposes (typical error in most cases within a factor of ~2). Increased temperatures lead to significant reduction in partitioning, and room temperature measurements are clearly inadequate for solvent selection. Upon down selecting classes of solvents based on separation performance, we perform experimental thermal stability and reaction compatibility studies of a small set of solvents at relevant reactive-extraction temperatures. We discover that many substituted phenols exhibit an order-of-magnitude increase in partitioning compared to conventional solvents due chiefly to hydrogen bond interactions and show the necessary stability but retain a significant fraction of water and LA, factors that need to be considered in technoeconomic analysis. In contrast, anilines, aldehydes, and acids are good to excellent regarding separation but incompatible with this specific reaction medium. Furthermore, this multifaceted framework can be extended to other biomass-derived products and processes.

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

Screening of metal complexes and organic solvents using the COSMOSAC-LANL model to enhance the energy density in a non-aqueous redox flow cell: an insight into the solubility

In this paper, we have proposed a first-principles methodology to screen transition metal complexes against a particular organic solvent and organic solvents against a particular transition metal complex based on their solubility information without the knowledge of heat of fusion and melting temperature. The energy density of a non-aqueous redox flow cell directly depends on the solubility of the redox active species in the non-aqueous medium. Here, we have used the “COSMOSAC-LANL” activity coefficient model which is based on first-principles COSMO calculations where the microscopic information is passed to the macroscopic world via a dielectric continuum solvation model, followed by a post-statistical thermodynamic treatment of the self-consistent properties of the solute particle to calculate the solubility. To model the activity coefficient at infinite dilution for the binary mixtures, a 3-suffix Margules (3sM) function is introduced for the quantitative estimation of the asymmetric interactions and, for the combinatorial term, the Staverman–Guggenheim (SG) form is used. The new activity coefficient model is separately called the “LANL” activity coefficient model. The metal complex and the organic solvent have been treated as a simple binary mixture. The present model has been applied to a set of 14 different organic solvents and 16 different transition metal complexes. Using the new LANL activity coefficient model in combination with the ADF-COSMOSAC-2013 model, we have shown how one can improve the solubility of a transition metal complex in an organic solvent. We applied our model to screen 84 binary mixtures to predict the compatible pair of redox active species and organic solvent to increase the energy density. The solvation mechanism of the transition metal complexes in the organic solvents was obtained using the new model. The results have been compared with the experimental and theoretical results where they are available.

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

Radial structure and formation of the Milky Way disc

The formation of the Galactic disc is an enthusiastically debated issue. Numerous studies and models seek to identify the dominant physical process(es) that shaped its observed properties; for example, satellite accretion, starburst, quenching, gas infall, and stellar radial migration. Taking advantage of the improved coverage of the inner Milky Way provided by the SDSS DR16 APOGEE catalogue and of the ages published in the APOGEE-AstroNN Value Added Catalogue (VAC), we examined the radial evolution of the chemical and age properties of the Galactic stellar disc with the aim of better constraining its formation. Using a sample of 199 307 giant stars with precise APOGEE abundances and APOGEE-AstroNN ages, selected in a ±2 kpc layer around the galactic plane, we assessed the dependency as a function of guiding radius of (i) the median metallicity, (ii) the ridge lines of the [Fe/H] – [Mg/Fe] and age–[Mg/Fe] distributions, and (iii) the age distribution function (ADF). The giant star sample allows us to probe the radial behaviour of the Galactic disc from R g = 0 to 14–16 kpc. The thick disc [Fe/H] – [Mg/Fe] ridge lines follow closely grouped parallel paths, supporting the idea that the thick disc did form from a well-mixed medium. However, the ridge lines present a small drift in [Mg/Fe], which decreases with increasing guiding radius. At sub-solar metallicity, the intermediate and outer thin disc [Fe/H] – [Mg/Fe] ridge lines follow parallel sequences shifted to lower metallicity as the guiding radius increases. We interpret this pattern as the signature of a dilution of the interstellar medium from R g ~ 6 kpc to the outskirts of the disc, which occurred before the onset of the thin disc formation. The APOGEE-AstroNN VAC provides stellar ages for statistically significant samples of thin disc stars from the Galactic centre up to R g ~ 14 kpc. An important result provided by this dataset is that the thin disc presents evidence of an inside-out formation up to R g ~ 10 – 12 kpc. Moreover, about ~7 Gyr ago, the [Mg/Fe] ratio in the outer thin disc (R g > 10 kpc) was higher by about ~0.03–0.05 dex than in the more internal regions of the thin disc. This could be the fossil record of a pollution of the outer disc gas reservoir by the thick disc during its starburst phase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Nearly hyperuniform, nonhyperuniform, and antihyperuniform density fluctuations in two-dimensional transition metal dichalcogenides with defects

Hyperuniform many-body systems in d-dimensional Euclidean space R d are characterized by completely suppressed (normalized) infinite-wavelength density fluctuations, and appear to be endowed with novel exotic physical properties. Recently, hyperuniform systems of disordered varieties have been observed in the context of various atomic-scale two-dimensional (2D) materials. Here, we analyze the effects of localized defects on the density fluctuations across length scales and on the hyperuniformity property of experimental samples of two-dimensional transition metal dichalcogenides. In particular, we extract atomic coordinates from time series annular dark field-scanning transmission electron microscopy (ADF-STEM) imaging data of 2D tungsten chalcogenides with the 2H structure (Te-doped 2H-WSe 2 ) showing continuous development and evolution of electron-beam induced defects, and construct the corresponding chemical-bonding informed coordination networks between the atoms. We then compute a variety of pair statistics and bond-orientational statistics to characterize the samples. At low defect concentrations, the corresponding materials are nearly hyperuniform, characterized by significantly suppressed scattering at the zero wave-number limit (omitting forward/ballistic scattering). As more defects are introduced, the (approximate) hyperuniformity of the materials is gradually destroyed, and the system becomes non-hyperuniform even when the material still contains a significant amount of crystalline regions. At high defect concentrations, the structures become antihyperuniform with diverging (normalized) large-scale density fluctuations, mimicking those typically observed at the thermal critical points associated with phase transitions. Overall, the defected materials possess varying degrees of orientation order, and there is apparently no intermediate hexatic phase emerging. To understand the observed nearly hyperuniform density fluctuations in the slightly defected materials, we construct a minimalist structural model and demonstrate that the experimental samples can be essentially viewed as perturbed honeycomb crystals with small correlated displacements and double chalcogen vacancies. Moreover, the small correlated displacements alone can significantly degrade hyperuniformity of the perfect honeycomb structure. Therefore, even a small amount of vacancies, when coupled with correlated displacements, can completely destroy hyperuniformity of the system.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Effects of inoculants on the fermentation characteristics and in vitro digestibility of reed canary grass ( Phalaris arundinacea L.) silage on the Qinghai‐Tibetan Plateau

Abstract To effectively use local available grass resources to cover the winter feed shortage on the Qinghai‐Tibetan Plateau, direct‐cut and wilted reed canary grass (RCG) silages were prepared by using a rolled‐bale system, and their ensiling characteristics and in vitro digestibility were studied. Silages were treated without (control) or with inoculants including LP ( Lactobacillus plantarum ), LPLB ( L. plantarum , L. buchneri ), and LPLBc ( L. plantarum , L. buchneri , and cellulase), and were stored at ambient temperature (5.7–14.6°C) for 90 days. Compared with control, the inoculated silages increased ( p < .05) lactic acid and acetic acid contents, and reduced ( p < .05) final pH value and ammonia‐N ratio of total N. The highest WSC content (41.2 g/kg DM) occurred for LPLB‐inoculated silage, whereas LPLBc‐treated silage displayed the lowest contents of NDF (522.9 g/kg DM) and ADF (275.5 g/kg DM). In addition, LPLBc‐inoculated silage had the highest in vitro gas production (51.0 ml/g DM), in vitro DM digestibility (619.3 g/kg DM), and metabolic energy (9.6 kJ/kg DM). These results confirmed that treatments with inoculants at ensiling could improve silage fermentation and in vitro digestibility of RCG, and this could be a potential winter feed for animals on the Qinghai‐Tibetan Plateau.

Chen, Liangyin↗
DOE OSTI2023

Evaluation of eastern gamagrass as dual-purpose complementary bioenergy and forage feedstock to switchgrass

Switchgrass (SG) is considered a model bioenergy crop and a warm-season perennial grass (WSPG) that traditionally served as forage feedstock in the United States. To avoid the sole dependence on SG for bioenergy production, evaluation of other crops to diversify the pool of feedstock is needed. We conducted a 3-year field experiment evaluating eastern gamagrass (GG), another WSPG, as complementary feedstock to SG in one- and two-cut systems, with or without intercropping with crimson clover or hairy vetch, and under different nitrogen (N) application rates. Our results showed that GG generally produced lower biomass (by 29.5%), theoretical ethanol potential (TEP, by 2.8%), and theoretical ethanol yield (TEY, by 32.9%) than corresponding SG under the same conditions. However, forage quality measures, namely acid detergent fiber (ADF), crude protein (CP), and elements P, K, Ca, and Mg were significantly higher in GG than those in SG. Nitrogen fertilizer significantly enhanced biomass (by 1.54 Mg ha -1 ), lignin content (by 2.10 g kg -1 ), and TEY (787.12 L ha -1 ) in the WSPGs compared to unfertilized treatments. Intercropping with crimson clover or hairy vetch did not significantly increase biomass of the WSPGs, or TEP and TEY in unfertilized plots. This study demonstrated that GG can serve as a complementary crop to SG and could be used as a dual-purpose crop for bioenergy and forage feedstock in farmers' rotations.

09 BIOMASS FUELS↗
DOE OSTI2022

Experimental Investigation of Cavitation-Induced Erosion Using X-Ray Imaging and Tomography

High injection pressure in diesel engines can lead to cavitation-induced erosion in injector nozzles. One important factor affecting the severity of erosion is the fuel and its properties. Traditionally, modeling and simulation studies have used single-component representations of fuels, but realistic fuels feature a multitude of components and can even include volatile additives such as water and alcohol. To provide realistic benchmarks and comparisons, experimental measurements quantifying erosion characteristics were made using ultra-low sulfur diesel (ULSD) and two alternative diesel fuels (ADF). X-ray imaging and computed tomography were used to investigate cavitation-induced erosion onset and progression. Hard X-ray tomography revealed injector internal geometry, including details such as surface marks from the manufacturing process and erosion patterns from repeated injections. Erosion progression was measured using X-ray tomography and imaging performed between injections. The critical erosion site was found to be similar across different fuel blends, while the erosion rate and incubation time were sensitive to the fuel blend. The injector geometry and the erosion characteristics were also prepared for numerical model development and validation.

42 ENGINEERING↗
DOE OSTI2024

Identification of pleiotropic loci mediating structural and non-structural carbohydrate accumulation within the sorghum bioenergy association panel using high-throughput markers

Molecular characterization of diverse germplasm can contribute to breeding programs by increasing genetic gain for sorghum [ Sorghum bicolor (L.) Moench] improvement. Identifying novel marker-trait associations and candidate genes enriches the existing genomic resources and can improve bioenergy-related traits using genomic-assisted breeding. In the current scenario, identifying the genetic loci underlying biomass and carbon partitioning is vital for ongoing efforts to maximize each carbon sink’s yield for bioenergy production. Here, we have processed a high-density genomic marker (22 466 550) data based on whole-genome sequencing (WGS) using a set of 365 accessions from the bioenergy association panel (BAP), which includes ~19.7 million (19 744 726) single nucleotide polymorphism (SNPs) and 2.7 million (~2 721 824) insertion deletions (indels). A set of high-quality filtered SNP (~5.48 million) derived markers facilitated the assessment of population structure, genetic diversity, and genome-wide association studies (GWAS) for various traits related to biomass and its composition using the BAP. The phenotypic traits for GWAS included seed color (SC), plant height (PH), days to harvest (DTH), fresh weight (FW), dry weight (DW), brix content % (BRX), neutral detergent fiber (NDF), acid detergent fiber (ADF), non-fibrous carbohydrate (NFC), and lignin content. Several novel loci and candidate genes were identified for bioenergy-related traits, and some well-characterized genes for plant height ( Dw1 and Dw2 ) and the YELLOW SEED1 locus ( Y1 ) were validated. We further performed a multi-variate adaptive shrinkage analysis to identify pleiotropic QTL, which resulted in several shared marker-trait associations among bioenergy and compositional traits. Significant marker-trait associations with pleiotropic effects can be used to develop molecular markers for trait improvement using a marker-assisted breeding approach. Significant nucleotide diversity and heterozygosity were observed between photoperiod-sensitive and insensitive individuals of the panel. This diverse bioenergy panel with genomic resources will provide an excellent opportunity for further genetic studies, including selecting parental lines for superior hybrid development to improve biomass-related traits in sorghum.

bioenergy association panel↗
DOE OSTI2022

Rye as an Energy Cover Crop: Management, Forage Quality, and Revenue Opportunities for Feed and Bioenergy

Harvesting a winter rye energy cover crop (Secale cereale L.) could help sustain growing food and energy demand, provide new revenue streams, and enhance ecosystem services without inducing land-use change. A two-year field experiment with three planting methods and three N fertilization rates (0, 60, and 120 kg N ha -1 ) that produced >5.0 Mg ha -1 yr -1 of biomass was evaluated for (1) fresh and anaerobically digested rye forage quality; (2) revenue potential from renewable bioenergy, carbon markets, and digestate feed protein; and (3) potential greenhouse gas (GHG) offsets. We showed that rye can be harvested as forage for animals or anaerobically digested to produce renewable natural gas (RNG), with the residue after digestion (digestate) still available as a feed protein concentrate. Anaerobically digesting rye improved forage quality indicators. Digestion significantly decreased acid- and neutral-detergent fiber (ADF and NDF) by 5.2% and 17.8%, respectively, while significantly increasing crude protein (CP) (33.6%), total digestible nutrients (TDN) (2.0%), relative feed value (RFV) (23.6%), net energy for lactation (8.3%), maintenance (7.5%), and gain (20.0%). Using market prices for RNG, high protein feed, and GHG mitigation, potential on-farm revenue ranged from USD 307 Mg -1 and USD 502 Mg -1 dry matter with an average of USD 402 Mg -1 . However, there are substantial costs associated with RNG and the revenue potential does not represent the profitability of this system. Evaluation of the integrated system showed GHG emissions associated with rye fertilization were more than offset by the benefits of increasing yield in the 60 kg N ha -1 treatment. The overall carbon footprint of the integrated system was strongly carbon negative, confirming the potential of this strategy to sustainably intensify land use in the Midwestern United States.

09 BIOMASS FUELS↗
DOE OSTI2020

Refreshing Waste Tracking Software for the 2020's - 20059

The Waste Compliance and Tracking System (WCATS) is a software application designed to manage waste operations from cradle to grave. The system provides the support needed for characterization, generation, processing, and shipment of all waste generated or stored at Los Alamos National Laboratory (LANL). Waste is tracked with task records for containers in real-time via both desktop and mobile device applications. The software allows application administrators to configure sites with appropriate limits for Pu-239 equivalent Curies (PE-Ci), fissile gram equivalents (FGEs), volume limits, as well as custom limits for site-specific technical safety requirements (TSRs). WCATS was developed based on a need at Los Alamos National Laboratory for a modern, customizable waste tracking system that could support many different waste types. The application is built using Oracle{sup R} database and Oracle{sup R} ADF Swing application framework. The technologies and software frameworks selected for the system were finalized in 2006. Although Oracle{sup R} Database has proven to be robust, the user interface and application framework interface with the database have been deprecated and need to be replaced. The technologies selected for modernization follow the open-source model, which allows the WCATS team to more easily recruit developers, improve the speed of development, and ease the deployment and adoption of the system. The tools that support the re-engineering effort are Vue.js{sup R}, a JavaScript{sup R} framework, and Spring Boot{sup R}, an API (application programming interface) development tool written in Java{sup R}. An API allows for simplified communication from the database to the user interface of the application. In addition, legacy Crystal Reports{sup R} will be replaced with reports developed with the open source Pentaho{sup TM}f Report Designer community edition. Because the application uses HTML and JavaScript{sup R}, it builds upon tools that have been used for many years in web development. These tools have large community support and their proven track record will ensure that enhancements to WCATS can continue for years to come. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Play Fairway Analysis Retrospective GeoRePORTs

NREL, as part of the Play Fairway Analysis (PFA) Retrospective and with assistance from PFA PIs, completed GeoRePORTs for the sites identified in Phases 1&2 of the DOE PFA projects. The GeoRePORT (geothermal resource portfolio optimization and reporting technique) uses two factors to describe a specific project; grade and project readiness level. Grade describes the quality or potential of a project while project readiness level shows the progress of research and development. The categories that factor into the total grades and readiness levels are Geological, Technical, and Socio-Economic.

15 GEOTHERMAL ENERGY↗