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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Monitor Variability of Millimeter Lines in IRC+10216

A single dish monitoring of millimeter maser lines SiS J = 14-13 and HCN ν{sub 2}=1{sup f} J = 3-2 and several other rotational lines is reported for the archetypal carbon star IRC+10216. Relative line strength variations of 5% ∼ 30% are found for eight molecular line features with respect to selected reference lines. Definite line-shape variations are found in limited velocity intervals of the SiS and HCN line profiles. The asymmetrical line profiles of the two lines are mainly due to the varying components. The dominant varying components of the line profiles have similar periods and phases to the IR light variation, though both quantities show some degree of velocity dependence; there is also variability asymmetry between the blue and red line wings of both lines. Combining the velocities and amplitudes with a wind velocity model, we suggest that the line profile variations are due to SiS and HCN masing lines emanating from the wind acceleration zone. The possible link of the variabilities to thermal, dynamical, and/or chemical processes within or under this region is also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

On the Efficacy of Repeat Voltage Holds for Conditioning and Calendar Life Testing of Graphite and Silicon Cells

Voltage-hold (V-hold) protocols have shown promise toward calendar lifetime analysis of cells with graphite (Gr) and silicon (Si) anodes. In this work, repeat V-holds are performed on Gr and Si cells paired with lithium iron phosphate cathodes to delineate their beneficial role in formation and conditioning. We find that V-hold at the top of charge supplements constant current cycling in conditioning the cell to higher capacities for both Gr and Si cells after the first V-hold. A reduced order model provides the irreversible capacity proportions of each V-hold. With each repeat V-hold, parasitic loss of lithium to the solid electrolyte interphase (SEI) decreases on both Gr and Si cells. Gr cells show the square-root-of-time capacity loss behavior within 200 h of V-hold, indicative of its fast relaxation and low impact of reference performance test cycles on the SEI growth. Lifetime estimates from repeat V-holds on Gr can reach years. Si exhibits longer transition times from kinetic to diffusion-limited SEI growth, evidenced by the 400 h and 200 h holds showing square-root-of-time and linear behavior, respectively. Lifetime predictions from repeat V-holds on Si only reach 1–2 months, highlighting its limitations. Recommended duration of V-holds for Si cells should be ≥400 h.

25 ENERGY STORAGE↗
DOE OSTI2016

Appalachian Basin Play Fairway Analysis Thermal Risk Factor and Quality Analyses

*This submission revises the analysis and products for Thermal Quality Analysis for the northern half of the Appalachian Basin (https://gdr.openei.org/submissions/638)* This submission is one of five major parts of a Low Temperature Geothermal Play Fairway Analysis. Phase 1 of the project identified potential Geothermal Play Fairways within the Appalachian basin of Pennsylvania, West Virginia and New York. This submission includes a subset of the necessary shapefiles, rasters, datasets, code, and references to code repositories that were used to create the thermal resource and risk factor maps as part of the project. This subset is those contents that were improved upon during calendar year 2016. Figures are provided as examples of some shapefiles and rasters. See also: Final Report: Low Temperature Geothermal Play Fairway Analysis for the Appalachian Basin (https://gdr.openei.org/submissions/899). The 2015 data submission should be visited to obtain: 1) the regional standardized 1 square km grid used in the project as points (cell centers), polygons, and as a raster, 2) the raw well data for the state well temperature databases, 3) the COSUNA section shapefile and formation thermal conductivities by state as *.xlsx files, 4) the sediment thickness map and 30 m Digital Elevation Model for the Appalachian Basin as GeoTIFF raster files, 5) the BHT correction sections shapefile and drilling fluid databases as *.csv files, 6) the unbuffered interpolation regions as shapefiles, 7) several 50 km buffered interpolation regions as shapefiles, 8) several gridded interpolation regions as raster files, 9) an R script for organizing the thermal data and running the local spatial outlier analysis, 10) shapefiles and rasters for the prediction, uncertainty, and cross validation of the temperature at 1.5 km, 2.5 km, and 3.5 km depth, 11) shapefiles and rasters for the prediction, uncertainty, and cross validation depth to 100 degrees C, 12) an ArcGIS toolbox for thermal risk factor models, 13) an ArcGIS model for extracting results specific to each county of interest, 14) thermal resource cross section plots, 15) the geothermal Play Fairways.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

NEML2: A High Performance Library for Constitutive Modeling

NEML2, the New Engineering Material model Library, version 2, is an offshoot of NEML, an earlier material modeling code developed at Argonne National Laboratory. NEML2 extends the key philosophy of its predecessor, i.e., material models are flexible, modular, and can be built from smaller blocks. It also provides modern features that do not exist in the framework of its predecessor such as material model vectorization, automatic differentiation, device-portable just-in-time compilation, operator fusion, lazy tensor evaluation, etc. Moreover, NEML2 can seamlessly integrate with the popular machine learning package PyTorch to take advantage of modern and fast-growing machine learning techniques. In this fiscal year, the development of core library features and capabilities are complete. The purpose of this report is not to serve as a verbatim copy of the software API reference (which is available online at https://reverendbedford.github.io/neml2/). Instead, this report documents the motivation, implementation, design choices, and usage of each core capability as well as their applications in solving practical engineering problems. This report is compiled based on the NEML2 major release 2.0.0.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Rapid 18 F-FDG Uptake in Brain of Awake, Behaving Rat and Anesthetized Chicken has Implications for Behavioral PET Studies in Species With High Metabolisms

Brain-behavior studies using 18 F-FDG PET aim to reveal brain regions that become active during behavior. In standard protocols, 18 F-FDG is injected, the behavior is executed during 30–60 min of tracer uptake, and then the animal is anesthetized and scanned. Hence, the uptake of 18 F-FDG is not itself observed and could, in fact, be complete in very little time. This has implications for behavioral studies because uptake is assumed to reflect concurrent behavior. Here, we utilized a new, miniature PET scanner termed RatCAP to measure uptake simultaneously with behavior. We employed a novel injection protocol in which we administered 18 F-FDG (i.v.) four times over two 2 h to allow for repeated measurements and the correlation of changes in uptake and behavioral activity. Furthermore, using standard PET methods, we explored the effects of injection route on uptake time in chickens, a model for avians, for which PET studies are just beginning. We found that in the awake, behaving rat most of the 18 F-FDG uptake occurred within minutes and overlapped to a large extent with 18F-FDG data taken from longer uptake periods. By contrast, behavior which occurred within minutes of the 18 F-FDG infusion differed markedly from the behavior that occurred during later uptake periods. Accordingly, we found that changes in 18 F-FDG uptake in the striatum, motor cortex and cerebellum relative to different reference regions significantly predicted changes in behavioral activity during the scan, if the time bins used for correlation were near the injection times of 18 F-FDG. However, when morphine was also injected during the scan, which completely abolished behavioral activity for over 50 min, a large proportion of the variance in behavioral activity was also explained by the uptake data from the entire scan. In anesthetized chickens, tracer uptake was complete in about 80 min with s.c. injection, but 8 min with i.v. injection. In conclusion, uptake time needs to be taken into account to more accurately correlate PET and behavioral data in mammals and avians. Additionally, RatCAP together with multiple, successive injections of 18 F-FDG may be useful to explore changes in uptake over time in relation to changes in behavior.

Behavioral Sciences↗
DOE OSTI2015

Modelling of mineral dust for interglacial and glacial climate conditions with a focus on Antarctica

The mineral dust cycle responds to climate variations and plays an important role in the climate system by affecting the radiative balance of the atmosphere and modifying biogeochemistry. Polar ice cores provide unique information about deposition of aeolian dust particles transported over long distances. These cores are a palaeoclimate proxy archive of climate variability thousands of years ago. The current study is a first attempt to simulate past interglacial dust cycles with a global aerosol–climate model ECHAM5-HAM. The results are used to explain the dust deposition changes in Antarctica in terms of quantitative contribution of different processes, such as emission, atmospheric transport and precipitation, which will help to interpret palaeodata from Antarctic ice cores. The investigated periods include four interglacial time slices: the pre-industrial control (CTRL), mid-Holocene (6000 yr BP; hereafter referred to as \"6 kyr\"), last glacial inception (115 000 yr BP; hereafter \"115 kyr\") and Eemian (126 000 yr BP; hereafter \"126 kyr\"). One glacial time interval, the Last Glacial Maximum (LGM) (21 000 yr BP; hereafter \"21 kyr\"), was simulated as well to be a reference test for the model. Results suggest an increase in mineral dust deposition globally, and in Antarctica, in the past interglacial periods relative to the pre-industrial CTRL simulation. Approximately two-thirds of the increase in the mid-Holocene and Eemian is attributed to enhanced Southern Hemisphere dust emissions. Slightly strengthened transport efficiency causes the remaining one-third of the increase in dust deposition. The moderate change in dust deposition in Antarctica in the last glacial inception period is caused by the slightly stronger poleward atmospheric transport efficiency compared to the pre-industrial. Maximum dust deposition in Antarctica was simulated for the glacial period. LGM dust deposition in Antarctica is substantially increased due to 2.6 times higher Southern Hemisphere dust emissions, 2 times stronger atmospheric transport towards Antarctica, and 30% weaker precipitation over the Southern Ocean. The model is able to reproduce the order of magnitude of dust deposition globally and in Antarctica for the pre-industrial and LGM climates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Complik: A versatile tool for automatizing the representation of material data in MCNP models - 14412

At the Paul Scherrer Institut, the CASMO/SIMULATE code system is used as reference scheme for core analyses of the Swiss reactors. Besides, Monte Carlo (MC) based neutron transport codes are in parallel being established both for out-of-core applications and full core analyses, in order to provide higher fidelity solutions to problems beyond the modelling capabilities of the standard core modelling methods. In this perspective, a necessity is to be able to conduct the MC calculations at any operating conditions, requiring thus proper initialisation of the thermal-hydraulic feedback as well as at any burnup, prompting the need for a detailed modelling of all material zones in the irradiated fuel assemblies. To tackle the later challenge, the development of the COMPLINK tool, aimed at initialising large-scale MC models of burned core configurations, using as basis upstream 2-D assembly/ 3-D core analyses results, was initiated and is presented in this paper. A main feature is the capability to extend in an automatic manner, a user given MC model in order to represent material data with a higher resolution, keeping track of the location of such materials also within nested repeated structures. This capability prevents the user from the burden of developing specific computational framework for a target application. Since the same functionalities are required to analyse out-of-core spent fuel managements systems, a first verification of COMPLINK is illustrated on the basis of a criticality safety evaluation (CSE) with MCNP6.1 of a Swiss PWR wet storage pool loaded with fresh and burned fuel assemblies. Starting from CASMO-5 depletion calculations at each axial layer of the depleted fuel assemblies and reconstructed based on realistic irradiation histories, COMPLINK is then applied to load the isotopic compositions into the material zones of the corresponding MCNP6.1 assembly models. On this basis, the CSE analyses are conducted with focus on investigating axial and radial modelling effects. All in all, the obtained results are found to be well in line with the impact on CSE expected at the considered burnup levels, providing thus confidence in the correct implementation of the COMPLINK functionalities and confirming its effectiveness as well as efficiency for the initialization of all material zones in large-scale MC models of complex and strongly heterogeneous burned configurations. (authors)

42 ENGINEERING↗
DOE OSTI2025

Characterization of DESI fiber assignment incompleteness effect on 2-point clustering and mitigation methods for DR1 analysis

We present an in-depth analysis of the fiber assignment incompleteness in the Dark Energy Spectroscopic Instrument (DESI) Data Release 1 (DR1). This incompleteness is caused by the restricted mobility of the robotic fiber positioner in the DESI focal plane, which limits the number of galaxies that can be observed at the same time, especially at small angular separations. As a result, the observed clustering amplitude is suppressed in a scale-dependent manner, which, if not addressed, can severely impact the inference of cosmological parameters. We discuss the methods adopted for simulating fiber assignment on mocks and data. In particular, we introduce the fast fiber assignment (FFA) emulator, which was employed to obtain the power spectrum covariance adopted for the DR1 full-shape analysis. We present the mitigation techniques, organised in two classes: measurement stage and model stage. We then use high fidelity mocks as a reference to quantify both the accuracy of the FFA emulator and the effectiveness of the different measurement-stage mitigation techniques. This complements the studies conducted in a parallel paper for the model-stage techniques, namely the θ-cut approach. We find that pairwise inverse probability (PIP) weights with angular upweighting recover the “true” clustering in all the cases considered, in both Fourier and configuration space. Notably, we present the first ever power spectrum measurement with PIP weights from real data.

cosmological simulations↗
DOE OSTI2025

Damage progression and failure of SiC/SiC composite tubes under hard-contact radial expansion

The response of silicon carbide (SiC) fiber-reinforced SiC matrix (SiC/SiC) composite cladding to mechanical interaction with fissile fuel is a knowledge gap that must be overcome to design and assess SiC-based cladding systems for advanced nuclear applications. This study developed the relevant mechanical testing capability and identified the failure behavior and the critical microstructural features and processing defects. Sections of SiC composite tube were subjected to a modified expansion-due-to-compression (EDC) test in an X-ray computed tomography microscope: a polyurethane plug pressed surrogate Al 2 O 3 into the inner walls of the SiC/SiC composite tubes to achieve hard contact. A pure EDC test with just a polyurethane plug was also performed as a reference. Through the use of displacement fields, digital volume correlation revealed inhomogeneous deformation fields in the tubes, even for pure EDC, which was related to the inherent defects in the structure. Deep learning–aided segmentation and systematic data analysis revealed that the presence of inhomogeneous deformation applied by the hard contact was exaggerated by the presence of inner surface imperfections left behind from the matrix densification process. In conclusion, the findings provide insights into the applications, highlighting the necessity for improvements in inner surface roughness and the incorporation of localized contacts in pellet–cladding mechanical interaction computational models.

Composites↗
DOE OSTI2020

A geospatial model for the analysis of time-dependent land subsidence induced by reservoir depletion

Land subsidence due to fluid depletion is an outcome of physical processes operating across a wide range of time and length scales. Although geomechanical models are crucial to simulate reservoir compaction and predict its long-term fate, their use across large regions often bears prohibitive computational costs. To overcome this obstacle, this paper proposes a simplified modelling framework consisting of (i) a near-field numerical solver simulating the coupling between fluid flow and rock deformation with reference to a simplified one-dimensional geometry and (ii) a far-field geospatial algorithm mapping ground settlements across a region through the superposition of poroelastic computations at multiple wells. The model computes the delay between depletion history and reservoir compaction in proximity of a producing well by assuming basal depletion of a fluid-saturated deformable disk, while the Geertsma solution of nucleus of strain is used to extrapolate the impact of such time-varying reservoir compaction around the well. This approach has been used to back-analyze the spatio-temporal progression of subsidence at the Groningen gas field. The results are compared against measurements collected over 50 year of production at 25 benchmark locations scattered over an area of 900 km 2 . It is shown that coupled simulations based on average values of rock compressibility and permeability lead to nonlinear trends of subsidence evolution in good agreement with field measurements, while uncoupled analyses overpredict settlements by more than 70%. Lastly, synthetic forecasts based on different rates of depletion were provided. The results suggest that slower depletion rates lead to lower subsidence at a given time, and that residual subsidence may continue to develop for several decades after interruption of production activities.

58 GEOSCIENCES↗
DOE OSTI2015

Optical response of columnar TiO{sub 2}:Co on Si substrate

Vertically arranged columnar TiO{sub 2}:Co structure has been deposited on Si (100) substrate using the metal organic chemical vapor deposition (MOCVD) technique. SEM images confirm the columnar structure of the TiO{sub 2}:Co layer on Si (100). Concentration of the Co dopant has been defined by means of the energy dispersive x-ray (EDX) spectra. Co concentrations are varied at 0.18, 0.33, and 0.68 at. % using pure TiO{sub 2} as the reference. X-ray diffraction (XRD) spectra show that the TiO{sub 2}:Co layer have a rutile phase. Further analysis of this structure has been performed by using room temperature spectroscopic ellipsometry (SE) measurements in the energy range of 0.5 - 6.5 eV. This optical response shows the unique feature of significantly high density fringe especially below the band gap energy region (lower than 3.3 eV) in contrast to the conventional TiO{sub 2} thin film structure. This unique feature is interpreted as a dominant contribution of the vertical interfaces at columnar boundaries towards reflected light from the sample. The evolution of Ψ and Δ will be discussed as the function of Co concentration and some optical properties will be extracted after reasonably well data fitting by multilayer modelling. Furthermore, by comparing the SE data from different measurement orientations, it has been shown that TiO{sub 2}:Co tends to be anisotropic. This study enables us to further evaluate structural properties through optical responses given by SE measurement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Extragalactic sources in Cosmic Microwave Background maps

We discuss the potential of a next generation space-borne CMB experiment for studies of extragalactic sources with reference to COrE+, a project submitted to ESA in response to the call for a Medium-size mission (M4). We consider three possible options for the telescope size: 1 m, 1.5 m and 2 m (although the last option is probably impractical, given the M4 boundary conditions). The proposed instrument will be far more sensitive than Planck and will have a diffraction-limited angular resolution. These properties imply that even the 1 m telescope option will perform substantially better than Planck for studies of extragalactic sources. The source detection limits as a function of frequency have been estimated by means of realistic simulations taking into account all the relevant foregrounds. Predictions for the various classes of extragalactic sources are based on up-to-date models. The most significant improvements over Planck results are presented for each option. COrE+ will provide much larger samples of truly local star-forming galaxies (by about a factor of 8 for the 1 m telescope, of 17 for 1.5 m, of 30 for 2 m), making possible analyses of the properties of galaxies (luminosity functions, dust mass functions, star formation rate functions, dust temperature distributions, etc.) across the Hubble sequence. Even more interestingly, COrE+ will detect, at |b| > 30°, thousands of strongly gravitationally lensed galaxies (about 2,000, 6,000 and 13,000 for the 1 m, 1.5 m and 2 m options, respectively). Such large samples are of extraordinary astrophysical and cosmological value in many fields. Moreover, COrE+ high frequency maps will be optimally suited to pick up proto-clusters of dusty galaxies, i.e. to investigate the evolution of large scale structure at larger redshifts than can be reached by other means. Thanks to its high sensitivity COrE+ will also yield a spectacular advance in the blind detection of extragalactic sources in polarization: we expect that it will detect up to a factor of 40 (1 m option) or of 160 (1.5 m option) more radio sources than can be detected by Planck and, for the first time, from several tens (1 m option) to a few hundreds (1.5 m option) of star forming galaxies. This will open a new window for studies of the global properties of magnetic fields in star forming galaxies and of their relationships with star formation rates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Simultaneous 3D–2D image registration and C-arm calibration: Application to endovascular image-guided interventions

Purpose: Three-dimensional to two-dimensional (3D–2D) image registration is a key to fusion and simultaneous visualization of valuable information contained in 3D pre-interventional and 2D intra-interventional images with the final goal of image guidance of a procedure. In this paper, the authors focus on 3D–2D image registration within the context of intracranial endovascular image-guided interventions (EIGIs), where the 3D and 2D images are generally acquired with the same C-arm system. The accuracy and robustness of any 3D–2D registration method, to be used in a clinical setting, is influenced by (1) the method itself, (2) uncertainty of initial pose of the 3D image from which registration starts, (3) uncertainty of C-arm’s geometry and pose, and (4) the number of 2D intra-interventional images used for registration, which is generally one and at most two. The study of these influences requires rigorous and objective validation of any 3D–2D registration method against a highly accurate reference or “gold standard” registration, performed on clinical image datasets acquired in the context of the intervention. Methods: The registration process is split into two sequential, i.e., initial and final, registration stages. The initial stage is either machine-based or template matching. The latter aims to reduce possibly large in-plane translation errors by matching a projection of the 3D vessel model and 2D image. In the final registration stage, four state-of-the-art intrinsic image-based 3D–2D registration methods, which involve simultaneous refinement of rigid-body and C-arm parameters, are evaluated. For objective validation, the authors acquired an image database of 15 patients undergoing cerebral EIGI, for which accurate gold standard registrations were established by fiducial marker coregistration. Results: Based on target registration error, the obtained success rates of 3D to a single 2D image registration after initial machine-based and template matching and final registration involving C-arm calibration were 36%, 73%, and 93%, respectively, while registration accuracy of 0.59 mm was the best after final registration. By compensating in-plane translation errors by initial template matching, the success rates achieved after the final stage improved consistently for all methods, especially if C-arm calibration was performed simultaneously with the 3D–2D image registration. Conclusions: Because the tested methods perform simultaneous C-arm calibration and 3D–2D registration based solely on anatomical information, they have a high potential for automation and thus for an immediate integration into current interventional workflow. One of the authors’ main contributions is also comprehensive and representative validation performed under realistic conditions as encountered during cerebral EIGI.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

4D ML reconstruction as a tool for volumetric PET-based treatment verification in ion beam radiotherapy

Purpose: An innovative strategy to improve the sensitivity of positron emission tomography (PET)-based treatment verification in ion beam radiotherapy is proposed. Methods: Low counting statistics PET images acquired during or shortly after the treatment (Measured PET) and a Monte Carlo estimate of the same PET images derived from the treatment plan (Expected PET) are considered as two frames of a 4D dataset. A 4D maximum likelihood reconstruction strategy was adapted to iteratively estimate the annihilation events distribution in a reference frame and the deformation motion fields that map it in the Expected PET and Measured PET frames. The outputs generated by the proposed strategy are as follows: (1) an estimate of the Measured PET with an image quality comparable to the Expected PET and (2) an estimate of the motion field mapping Expected PET to Measured PET. The details of the algorithm are presented and the strategy is preliminarily tested on analytically simulated datasets. Results: The algorithm demonstrates (1) robustness against noise, even in the worst conditions where 1.5 × 10{sup 4} true coincidences and a random fraction of 73% are simulated; (2) a proper sensitivity to different kind and grade of mismatches ranging between 1 and 10 mm; (3) robustness against bias due to incorrect washout modeling in the Monte Carlo simulation up to 1/3 of the original signal amplitude; and (4) an ability to describe the mismatch even in presence of complex annihilation distributions such as those induced by two perpendicular superimposed ion fields. Conclusions: The promising results obtained in this work suggest the applicability of the method as a quantification tool for PET-based treatment verification in ion beam radiotherapy. An extensive assessment of the proposed strategy on real treatment verification data is planned.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

Canopy reflectance spectra and photographs (raw data), Seward Peninsula, Alaska, 2022

Measurements of full-range (350–2500 nm) canopy spectral reflectance of Arctic plant species, plots, and transects at the Next Generation Ecosystem Experiment Arctic (NGEE Arctic) Teller Mile Marker (MM27) and Kougarok Fire Complex (KFC) sites, Seward Peninsula, Alaska. Spectra were collected in July 2022 using a handheld SVC HR-2014i spectroradiometer. All spectra were collected as calibrated surface radiance and converted to surface reflectance using 99.99% reflective Spectralon white reference standard. This data package includes unprocessed instrument output of the spectra signals (.sig) and, for some canopy measurements, photographs of the target taken by the SVC instrument camera or handheld digital camera (.jpg), GPS locations and file metadata (.csv).The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

LA-R43S6-L1 Postshot Report [Slides]

The Ranchero LA-R43S6-L1 test (formerly referred to as LA-43S-L1. The R specifically designates it is a Ranchero device and the 6 indicates a 6” high explosive charge diameter in anticipation of using larger diameters in the future.) was conducted on 3/8/17 with good success. The experiment was the first test of a “Swooped” Ranchero flux compression generator (FCG), and the load for the test was an aluminum imploding liner. In addition to the swoop, the stator was anodized to provide an insulating layer instead of one or more layers of polyethylene as had been the case for all earlier Ranchero tests. Using the Firing point TA-39-88 capacitor bank, 3.5 MA was delivered to the FCG for the initial magnetic field, and 36.4 MA were delivered to the load having an initial inductance of 2.5 nH. Implosion speeds over 1.1 cm/us were recorded, which exceeds previous LANL solid liner experimental results. The test was diagnosed with 18 PDV channels, 12 of which recorded liner implosion data, and the other 6 of which tracked the FCG armature during flux compression. These armature expansion data recorded during flux compression are the first of their kind, and it was previously unknown, due to unknown effects of the SF 6 in the flux compression volume, whether or not the expansion could be recorded using the PDV technique. Post shot 2D MHD calculations employed a complete external circuit model, and an improved flux diffusion model not available prior to the test. Results from these simulations show very good agreement with the experimental result. Four PDV channels recorded the liner implosion viewed radially outward from the center of the liner. All four of these probes recorded implosion velocities greater that 1 cm/µs, with the cylindrical center displaced by ~2 mm from actual center. Four PDV channels looked at +10° angles from the CMU wall, and four looked at -10° angles. A glide plane interaction is shown moving toward the center of the liner in MHD calculations, and PDV probes provide confirmation. The high explosive (HE) in the LA-R43S6-L1 test was PBX 9501 which had to be glued together in many pieces, and the test was preceded by a camera test to verify that the PBX 9501 could be assembled with acceptable tolerance in glue joints to prevent severing the armature during expansion. The camera test verified an acceptable armature performance, and results are given in complete detail in a post shot report LA-UR-19-20124, and summarized here. This report provides complete detail of the considerable body of data obtained on the test and in the post shot calculations. It is prepared in Power Point for ease of preparation and future review. Shot documentation available in the LANL on-line library are included as references, and non-referenceable documents will be cited and stored in an LA- R43S6-L1 post shot folder stored on an M-6 shared drive. Fabrication drawings are also maintained in an M-6 shared drive and paper files are available from M-6 personnel. This report will be maintained as a PowerPoint document on the shared drive, as well, since included movies will play and graphs from Excel files retain information in the PowerPoint versions. PDF versions are required for clearance and are not to large to send by e-mail.

42 ENGINEERING↗
DOE OSTI2020

Reflected shock-initiated ignition probed via simultaneous lateral and endwall high-speed imaging with a transparent, cylindrical test-section

A TRAnsparent cylindrical (TRAC) shock tube test section has been developed to explore the ignition structure behind reflected shockwaves via simultaneous lateral and endwall high-speed imaging using three fuel/oxidizer mixtures: 0.1% n-C 7 H 16 /1.10% O 2 /4.14% N 2 /94.66% Ar, 0.1% iC 8 H 18 /1.25% O 2 /4.69% N 2 /93.96% Ar, and 5% CH 4 /10% O 2 /85% CO 2 . During mild ignition, the first exothermic centers were located outside of the observable test section. It is shown that with increasing temperature the far-wall ignition events move closer to the endwall, until a strong ignition is achieved. The temperature gradients that promote mild ignition were quantified and were found to have a slight dependence on fuel with the RMS temperature gradients being 0.80% for n-heptane and 1.07% for isooctane. The impact of temperature gradients on metrics used to improve kinetic models, such as species time histories, is noteworthy. From this temperature gradient, an experimental correlation is provided to estimate the transition temperature from mild to strong ignition for a mixture. The effect of diagnostic location in non-homogeneous reactions is quantified in reference to ignition delay. In conclusion, the unique and insightful perspective on the ignition process under heavy shock bifurcation is also discussed.

02 PETROLEUM↗
DOE OSTI2022

Experimental study of the partitioning of some platinum group elements (Pd and Ir) between orthopyroxene and silicate melt

Past experiments and observations on natural samples have largely focused on the roles of olivine and chromite in controlling the behaviour of the platinum-group elements (PGE) during melting and solidification, whereas other phases, such as pyroxene, have gone largely uncharacterized. Here, to address this, experiments have been done to measure the partitioning of Pd (with a subset of results for Ir), between orthopyroxene and silicate melt at 1340 °C, 0.1 MPa and log fO 2 of FMQ - 1 to FMQ + 6 (FMQ = Fayalite-Magnetite-Quartz). The X-ray Absorption Near-Edge Structure (XANES) was measured in a subset of experiment glasses. Glass concentrations of Pd (corrected to unit Pd activity) increase from ~6 to ~650 ug/g over the fO 2 range of experiments. The slope of the solubility-fO 2 relation is consistent with Pd 1+ as the dominant oxidation state, with evidence for Pd 0 and Pd 2+ at the lowest and highest experiment fO 2 , respectively. Consistent with this result, the XANES reveal spectral features similar to Pd 0 and Pd 2+ spectral reference materials (specRM) at the most reduced and oxidized synthesis conditions, respectively. Other lines of evidence require the presence of a third melt species, here interpreted to be Pd 1+ . Values of orthopyroxene/melt partition coefficients for Pd (D Pd Opx/melt ) are 0.0051 (+/-0.006) at log fO 2 < ΔFMQ + 3, increasing with fO 2 to a maximum of 0.013 at ~FMQ + 6. Sodium partition coefficients, expected to be similar to Pd, range from 0.0061 (+/-0.00061) at FMQ + 3, increase to 0.007–0.009 at higher fO 2 , but with no clear systematic trend. A value for D Ir Opx-melt of ~0.6 was measured at ~FMQ + 4, indicating significantly more compatible behaviour for Ir relative to Pd. Partitioning results are interpreted in the context of the Blundy-Wood elastic strain model in which the variation in partitioning is related to ionic radius mismatch to an optimal crystallographic site size. Based on the trend in ionic radius with oxidation state, the estimated ionic radius of Pd 1+ in octahedral coordination is similar to Na 1+ , and comparison to previous orthopyroxene-melt partitioning experiments suggests D Pd1+ opx/melt and DNaopx/melt should be nearly identical, consistent with the results of this study. The ionic radius of VI-fold Pd 2+ is close to the optimal M2 site size, so an increased proportion of this species with fO 2 accounts for the larger values of D Pd opx/melt at the highest fO 2 investigated. The much larger partition coefficient for Ir is consistent with the presence of Ir 2+ , whose estimated ionic radius is close to Fe 2+ and Mg 2+ , as well as predictions for the optimal M1 site size. With the assumption that D Pd opx/melt = D Na opx/melt , combined with a revised value for the Pd content of the primitive mantle, a melting model is presented that better reproduces the Pd concentration of high degree melts from sulfide-free mantle sources.

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