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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Global Warming Estimation From Microwave Sounding Unit

Microwave Sounding Unit (MSU) Ch 2 data sets, collected from sequential, polar-orbiting, Sun-synchronous National Oceanic and Atmospheric Administration operational satellites, contain systematic calibration errors that are coupled to the diurnal temperature cycle over the globe. Since these coupled errors in MSU data differ between successive satellites, it is necessary to make compensatory adjustments to these multisatellite data sets in order to determine long-term global temperature change. With the aid of the observations during overlapping periods of successive satellites, we can determine such adjustments and use them to account for the coupled errors in the long-term time series of MSU Ch 2 global temperature. In turn, these adjusted MSU Ch 2 data sets can be used to yield global temperature trend. In a pioneering study, Spencer and Christy (SC) (1990) developed a procedure to derive the global temperature trend from MSU Ch 2 data. Such a procedure can leave unaccounted residual errors in the time series of the temperature anomalies deduced by SC, which could lead to a spurious long-term temperature trend derived from their analysis. In the present study, we have developed a method that avoids the shortcomings of the SC procedure, the magnitude of the coupled errors is not determined explicitly. Furthermore, based on some assumptions, these coupled errors are eliminated in three separate steps. Such a procedure can leave unaccounted residual errors in the time series of the temperature anomalies deduced by SC, which could lead to a spurious long-term temperature trend derived from their analysis. In the present study, we have developed a method that avoids the shortcomings of the SC procedures. Based on our analysis, we find there is a global warming of 0.23+/-0.12 K between 1980 and 1991. Also, in this study, the time series of global temperature anomalies constructed by removing the global mean annual temperature cycle compares favorably with a similar time series obtained from conventional observations of temperature.

Prabhakara, C.↗
DOE OSTI2021

Enhancement of polyhydroxyalkanoate production by co-feeding lignin derivatives with glycerol in Pseudomonas putida KT2440

Abstract Background Efficient utilization of all available carbons from lignocellulosic biomass is critical for economic efficiency of a bioconversion process to produce renewable bioproducts. However, the metabolic responses that enable Pseudomonas putida to utilize mixed carbon sources to generate reducing power and polyhydroxyalkanoate (PHA) remain unclear. Previous research has mainly focused on different fermentation strategies, including the sequential feeding of xylose as the growth stage substrate and octanoic acid as the PHA-producing substrate, feeding glycerol as the sole carbon substrate, and co-feeding of lignin and glucose. This study developed a new strategy—co-feeding glycerol and lignin derivatives such as benzoate, vanillin, and vanillic acid in Pseudomonas putida KT2440—for the first time, which simultaneously improved both cell biomass and PHA production. Results Co-feeding lignin derivatives (i.e. benzoate, vanillin, and vanillic acid) and glycerol to P. putida KT2440 was shown for the first time to simultaneously increase cell dry weight (CDW) by 9.4–16.1% and PHA content by 29.0–63.2%, respectively, compared with feeding glycerol alone. GC–MS results revealed that the addition of lignin derivatives to glycerol decreased the distribution of long-chain monomers (C10 and C12) by 0.4–4.4% and increased the distribution of short-chain monomers (C6 and C8) by 0.8–3.5%. The 1 H– 13 C HMBC, 1 H– 13 C HSQC, and 1 H– 1 H COSY NMR analysis confirmed that the PHA monomers (C6–C14) were produced when glycerol was fed to the bacteria alone or together with lignin derivatives. Moreover, investigation of the glycerol/benzoate/nitrogen ratios showed that benzoate acted as an independent factor in PHA synthesis. Furthermore, 1 H, 13 C and 31 P NMR metabolite analysis and mass spectrometry-based quantitative proteomics measurements suggested that the addition of benzoate stimulated oxidative-stress responses, enhanced glycerol consumption, and altered the intracellular NAD + /NADH and NADPH/NADP + ratios by up-regulating the proteins involved in energy generation and storage processes, including the Entner–Doudoroff (ED) pathway, the reductive TCA route, trehalose degradation, fatty acid β -oxidation, and PHA biosynthesis. Conclusions This work demonstrated an effective co-carbon feeding strategy to improve PHA content/yield and convert lignin derivatives into value-added products in P. putida KT2440. Co-feeding lignin break-down products with other carbon sources, such as glycerol, has been demonstrated as an efficient way to utilize biomass to increase PHA production in P. putida KT2440. Moreover, the involvement of aromatic degradation favours further lignin utilization, and the combination of proteomics and metabolomics with NMR sheds light on the metabolic and regulatory mechanisms for cellular redox balance and potential genetic targets for a higher biomass carbon conversion efficiency.

09 BIOMASS FUELS↗
NASA NTRS1996

Natural Rolling Responses of a Delta Wing in Transonic and Subsonic Flows

The unsteady, three-dimensional, full Navier-Stokes (NS) equations and the Euler equations of rigid-body dynamics are sequentially solved to simulate the natural rolling response of slender delta wings of zero thickness at moderate to high angles of attack, to transonic and subsonic flows. The governing equations of fluid flow and dynamics of the present multi-disciplinary problem are solved using the time-accurate solution of the NS equations with the implicit, upwind, Roe flux-difference splitting, finite-volume scheme and a four-stage Runge-Kutta scheme, respectively. The main focus is to analyze the effect of Mach number and angle of attack on the leading edge vortices and their breakdown, the resultant rolling motion, and overall aerodynamic response of the wing. Three cases demonstrate the natural response of a 65 deg swept, cropped delta wing in a transonic flow with breakdown of the leading edge vortices and an 80 deg swept delta wing in a subsonic flow undergoing either damped or self-excited limit-cycle rolling oscillations as a function of angle of attack. Comparisons with an experimental investigation completes this study, validating the analysis and illustrating the complex details afforded by computational investigations.

Menzies, Margaret A.↗
NASA NTRS1996

Integration of Multiple Non-Normal Checklist Procedures into a Single Checklist Procedure for Transport Aircraft: A Preliminary Investigation

Checklists are used by the flight crew to properly configure an aircraft for safe flight and to ensure a high level of safety throughout the duration of the flight. In addition, the checklist provides a sequential framework to meet cockpit operational requirements, and it fosters cross-checking of the flight deck configuration among crew members. This study examined the feasibility of integrating multiple checklists for non-normal procedures into a single procedure for a typical transport aircraft. For the purposes of this report, a typical transport aircraft is one that represents a midpoint between early generation aircraft (B-727/737-200 and DC-10) and modern glass cockpit aircraft (B747-400/777 and MD-11). In this report, potential conflicts among non-normal checklist items during multiple failure situations for a transport aircraft are identified and analyzed. The non-normal checklist procedure that would take precedence for each of the identified multiple failure flight conditions is also identified. The rationale behind this research is that potential conflicts among checklist items might exist when integrating multiple checklists for non-normal procedures into a single checklist. As a rule, multiple failures occurring in today's highly automated and redundant system transport aircraft are extremely improbable. In addition, as shown in this analysis, conflicts among checklist items in a multiple failure flight condition are exceedingly unlikely. The possibility of a multiple failure flight condition occurring with a conflict among checklist items is so remote that integration of the non-normal checklists into a single checklist appears to be a plausible option.

Foernsler, Lynda J.↗
DOE OSTI2023

Validation of the Cossee–Arlman mechanism for propylene oligomerization on Ni/UiO-66

Steady state rate expressions can be derived to distinguish the Cossee–Arlman and metallacycle mechanisms postulated for propylene oligomerization on nickel-based catalysts based on product selectivities, where product selectivities for the former are a function of olefin pressure because sequential coordination and insertion steps lead to independent mechanistic pathways for different hexene isomers. In contrast, the metallacycle mechanism presents pressure-independent product selectivities due to successive coordination prior to the kinetically relevant steps in each mechanism. In this work, steady state propylene oligomerization rates and selectivities were measured in the absence of an activator on nickel functionalized UiO-66 metal organic framework (MOF), Ni/UiO-66, to validate the Cossee–Arlman mechanism for light olefin oligomerization. In situ NO titrations reveal that ~5% of nickel sites were active during the reaction, and thus, not all nickel sites are relevant for catalysis. Propylene dimerization was first order in propylene pressure from 5 to 500 kPa with an apparent activation energy of ~20 kJ mol -1 from 453 to 493 K. Calculated apparent activation energies with density functional theory (DFT) calculations on cluster models of Ni/UiO-66 are in agreement with experiment to corroborate the Cossee–Arlman mechanism. Selectivities of hexene products and the ratio of hexene product selectivities on Ni/UiO-66 are in accordance with selectivity expressions derived from the Cossee–Arlman mechanism. In conclusion, analysis of product selectivities can be used more extensively to demarcate the Cossee–Arlman and metallacycle mechanisms for olefin oligomerization on metal-based catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Long-Term Vehicle Speed Prediction via Historical Traffic Data Analysis for Improved Energy Efficiency of Connected Electric Vehicles

Connected and automated vehicles (CAVs) are expected to provide enhanced safety, mobility, and energy efficiency. While abundant evidence has been accumulated showing substantial energy saving potentials of CAVs through eco-driving, traffic condition prediction has remained to be the main challenge in capitalizing the gains. The coupled power and thermal subsystems of CAVs necessitate the use of different speed preview windows for effective and integrated power and thermal management. Real-time vehicle-to-infrastructure (V2I) communications can provide an accurate speed prediction over a short prediction horizon (e.g., 30 s to 60 s), but not for a long range (e.g., over 180 s). Therefore, advanced approaches are required to develop detailed speed prediction for robust optimization-based energy management of CAVs. This paper presents an integrated speed prediction framework based on historical traffic data classification and real-time V2I communications for efficient energy management of electrified CAVs. The proposed framework provides multi-range speed predictions with different fidelity over short and long horizons. The proposed multi-range speed prediction is integrated with an economic model predictive control (MPC) strategy for the battery thermal management (BTM) of connected and automated electric vehicles (EVs). The simulation results over real-world urban driving cycles confirm the enhanced prediction performance of the proposed data classification strategy over a long prediction horizon. Despite the uncertainty in long-range CAVs’ speed predictions, the vehicle-level simulation results show that 14% and 19% energy savings can be accumulated sequentially through eco-driving and BTM optimization (eco-cooling), respectively, when compared with normal driving (i.e., human driver) and conventional BTM strategy.

Engineering↗
DOE OSTI2020

Non-autoregressive time-series methods for stable parametric reduced-order models

Advection-dominated dynamical systems, characterized by partial differential equations, are found in applications ranging from weather forecasting to engineering design where accuracy and robustness are crucial. There has been significant interest in the use of techniques borrowed from machine learning to reduce the computational expense and/or improve the accuracy of predictions for these systems. These rely on the identification of a basis that reduces the dimensionality of the problem and the subsequent use of time series and sequential learning methods to forecast the evolution of the reduced state. Often, however, machine-learned predictions after reduced-basis projection are plagued by issues of stability stemming from incomplete capture of multiscale processes as well as due to error growth for long forecast durations. To address these issues, we have developed a non-autoregressive time series approach for predicting linear reduced-basis time histories of forward models. In particular, we demonstrate that non-autoregressive counterparts of sequential learning methods such as long short-term memory (LSTM) considerably improve the stability of machine-learned reduced-order models. Further, we evaluate our approach on the inviscid shallow water equations and show that a non-autoregressive variant of the standard LSTM approach that is bidirectional in the principal component directions obtains the best accuracy for recreating the nonlinear dynamics of partial observations. Moreover-and critical for many applications of these surrogates-inference times are reduced by three orders of magnitude using our approach, compared with both the equation-based Galerkin projection method and the standard LSTM approach.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1985

Interface shape in Czochralski grown crystals - Effect of conduction and radiation

A sequential modular computational scheme has been proposed for the calculation of temperature profiles in the melt and crystal including the melt-crystal interface shape and the crystal pulling rate for a fixed crystal radius. The heat transfer in the melt is assumed to occur by conduction only. The shape of melt-gas meniscus, described by Laplace-Young equation, is incorporated in the model and its effects on interface shape and pulling rate are examined. Further, the model incorporates the detailed radiation interaction among the various surfaces in the puller using the Gebhart enclosure theory which accounts for both direct and reflected radiation. The effects of various process parameters on the interface shape and the pulling rate have been investigated. The results of this study indicate that the shape of the melt-gas meniscus has a significant effect on the pulling rate and the interface shape in conformity with earlier studies. Further, it is shown that a simple radiation model (Stefan's model) is inadequate to model the radiation heat exchange in the Czochralski puller apparatus and the detailed Gebhart analysis is necessary for accurate calculation of both the temperature profile in the crystal as well as the interface shape.

Srivastava, R. K.↗
NASA NTRS1998

Global Warming Estimation from MSU

Microwave Sounding Unit (MSU) radiometer observations in Ch 2 (53.74 GHz) from sequential, sun-synchronous, polar-orbiting NOAA satellites contain small systematic errors. Some of these errors are time-dependent and some are time-independent. Small errors in Ch 2 data of successive satellites arise from calibration differences. Also, successive NOAA satellites tend to have different Local Equatorial Crossing Times (LECT), which introduce differences in Ch 2 data due to the diurnal cycle. These two sources of systematic error are largely time independent. However, because of atmospheric drag, there can be a drift in the LECT of a given satellite, which introduces time-dependent systematic errors. One of these errors is due to the progressive chance in the diurnal cycle and the other is due to associated chances in instrument heating by the sun. In order to infer global temperature trend from the these MSU data, we have eliminated explicitly the time-independent systematic errors. Both of the time-dependent errors cannot be assessed from each satellite. For this reason, their cumulative effect on the global temperature trend is evaluated implicitly. Christy et al. (1998) (CSL). based on their method of analysis of the MSU Ch 2 data, infer a global temperature cooling trend (-0.046 K per decade) from 1979 to 1997, although their near nadir measurements yield near zero trend (0.003 K/decade). Utilising an independent method of analysis, we infer global temperature warmed by 0.12 +/- 0.06 C per decade from the observations of the MSU Ch 2 during the period 1980 to 1997.

Prabhakara, C.↗
NASA NTRS1992

Aerodynamic simulation on massively parallel systems

This paper briefly addresses the computational requirements for the analysis of complete configurations of aircraft and spacecraft currently under design to be used for advanced transportation in commercial applications as well as in space flight. The discussion clearly shows that massively parallel systems are the only alternative which is both cost effective and on the other hand can provide the necessary TeraFlops, needed to satisfy the narrow design margins of modern vehicles. It is assumed that the solution of the governing physical equations, i.e., the Navier-Stokes equations which may be complemented by chemistry and turbulence models, is done on multiblock grids. This technique is situated between the fully structured approach of classical boundary fitted grids and the fully unstructured tetrahedra grids. A fully structured grid best represents the flow physics, while the unstructured grid gives best geometrical flexibility. The multiblock grid employed is structured within a block, but completely unstructured on the block level. While a completely unstructured grid is not straightforward to parallelize, the above mentioned multiblock grid is inherently parallel, in particular for multiple instruction multiple datastream (MIMD) machines. In this paper guidelines are provided for setting up or modifying an existing sequential code so that a direct parallelization on a massively parallel system is possible. Results are presented for three parallel systems, namely the Intel hypercube, the Ncube hypercube, and the FPS 500 system. Some preliminary results for an 8K CM2 machine will also be mentioned. The code run is the two dimensional grid generation module of Grid, which is a general two dimensional and three dimensional grid generation code for complex geometries. A system of nonlinear Poisson equations is solved. This code is also a good testcase for complex fluid dynamics codes, since the same datastructures are used. All systems provided good speedups, but message passing MIMD systems seem to be best suited for large miltiblock applications.

Haeuser, Jochem↗
DOE OSTI2025

Structural Distortions and Uniaxial Negative Thermal Expansion in the Polar Dion–Jacobson Oxide RbNdTa 2 O 7

We provide deeper insight into the crystal structures, sequential structural phase transitions (I2cm → Cmce → I4/mcm → P4/mmm), thermal expansion, and electronic properties of the n = 2 Dion–Jacobson polar oxide RbNdTa 2 O 7 , through X-ray powder diffraction, neutron powder diffraction, Raman studies, and density functional theory calculations. We observed a uniaxial negative thermal expansion (NTE) across the first-order transition, I2cm → Cmce, where the unit cell contracts along the c-axis, which is driven by a contraction of the NdTa 2 O 6 layer. Here, this NTE occurs within the temperature range of the first-order phase transition and contrasts with the corkscrew mechanism typically observed in Ruddlesden–Popper phases. In RbNdTa 2 O 7 , the I2cm (hybrid improper ferroelectric) → Cmce (antipolar) transition involves crucial changes in the bond lengths of Nd and Ta polyhedra, coupled with polar to antipolar displacement of the Nd ions, leading to a net contraction in the NdTa 2 O 6 layer along the c-axis, while preserving the overall octahedral tilting magnitude. This transition highlights the intricate interplay between the Nd and Ta coordination and the associated TaO 6 distortions. Temperature-dependent Raman spectra analysis further confirms the first-order structural transition and associated NTE, providing evidence for increased bond stiffness across this transition. Additionally, using neutron powder diffraction, we have determined that the transition I4/mcm → P4/mmm occurs at approximately 1150 K. Finally, we have calculated from DFT + U, the partial density of states, the energy bandgaps, and effective masses of the charge carriers of the polar ground structure.

Chemical structure↗
NASA NTRS2016

Simulated Space Radiation: Murine Skeletal Responses During Recovery and with Mechanical Stimulation

Simulated space radiation at doses similar to those of solar particle events or a round-trip sojourn to Mars (1-2Gy) may cause skeletal tissue degradation and deplete stem/progenitor cell pools throughout the body. We hypothesized that simulated space radiation (SSR) causes late, time-dependent deficits in bone structure and bone cell function reflected by changes in gene expression in response to anabolic stimuli. We used a unique sequential dual ion exposure (proton and iron) for SSR to investigate time-dependence of responses in gene expression, cell function, and microarchitecture with respect to radiation and an anabolic stimulus of axial loading (AL). Male 16-wk C57BL6/J mice (n=120 total) were exposed to 0Gy (Sham, n=10), 56Fe (2Gy, positive control dose, n=10), or sequential ions for SSR (1Gy 1H/56Fe/1H, n=10) by total body irradiation (IR), and the tissues were harvested 2 or 6 mo. later. Further, to assess the response to anabolic stimuli, we subjected additional Sham-AL (n=15) and SSR-AL (n=15) groups to rest-inserted tibial axial loading (AL) starting at 1 and 5 months post-IR (-9N, 60 cycles/day, 3 days/wk, 4 wks). Exposure to 56Fe caused a significant reduction in cancellous bone volume fraction (BV/TV) compared to Sham (-34%) and SSR (-20%) in the proximal tibia metaphysis at 2-months post-IR; however BV/TV for SSR group was not different than Sham. Both 56Fe and SSR caused significant reduction in trabecular number (Tb.N) compared to Sham (-33% and -16%, respectively). Further, Tb.N for 56Fe (2Gy) was significantly lower than SSR (-21%). Ex vivo culture of marrow cells to assess growth and differentiation of osteoblast lineage cells 6 months post-IR showed that both 56Fe and SSR exposures significantly impaired colony formation compared to Sham (-66% and -54%, respectively), as well as nodule mineralization (-90% and -51%, respectively). Two-way analysis of variance showed that both mechanical loading and radiation reduced BV/TV, mechanical loading reduced trabecular thickness (Tb.Th), and radiation reduced Tb.N, at both time points. To assess acute response to mechanical stimuli, samples were harvested from a subset of Sham-AL (n=5) and SSR-AL (n=5) to measure changes in gene expression levels. Preliminary results indicate that axial loading increased expression of the antioxidant response gene Nfe2l2 and the osteoprogenitor-associated marker Runx2 in the bone marrow cells, and there was an interaction effect between axial loading and radiation at 2-months post-IR. Additional analyses of gene expression levels in the mineralized tissue are in progress. Results indicate that SSR caused persistent impairment of osteoblast colony formation and nodule mineralization 6-mo post-IR. Contrary to our hypothesis, simulated space radiation did not impair the ability of cancellous bone to respond to a mechanical anabolic stimulus, consistent with our previous findings [1]. Hence, compressive loading may be a potential countermeasure against spaceflight-induced bone loss.

Bone Loss↗
NASA NTRS2016

Simulated Space Radiation: Murine Skeletal Responses During Recovery and with Mechanical Stimulation

Simulated space radiation at doses similar to those of solar particle events or a round-trip sojourn to Mars (1-2Gy) may cause skeletal tissue degradation and deplete stem/progenitor cell pools throughout the body. We hypothesized that simulated space radiation (SSR) causes late, time-dependent deficits in bone structure and bone cell function reflected by changes in gene expression in response to anabolic stimuli. We used a unique sequential dual ion exposure (proton and iron) for SSR to investigate time-dependence of responses in gene expression, cell function, and microarchitecture with respect to radiation and an anabolic stimulus of axial loading (AL). Male 16-wk C57BL6/J mice (n=120 total) were exposed to 0Gy (Sham, n=10), 56Fe (2Gy, positive control dose, n=10), or sequential ions for SSR (1Gy 1H/56Fe/1H, n=10) by total body irradiation (IR), and the tissues were harvested 2 or 6 mo. later. Further, to assess the response to anabolic stimuli, we subjected additional Sham-AL (n=15) and SSR-AL (n=15) groups to rest-inserted tibial axial loading (AL) starting at 1 and 5 months post-IR (-9N, 60 cycles/day, 3 days/wk, 4 wks). Exposure to 56Fe caused a significant reduction in cancellous bone volume fraction (BV/TV) compared to Sham (-34%) and SSR (-20%) in the proximal tibia metaphysis at 2-months post-IR; however BV/TV for SSR group was not different than Sham. Both 56Fe and SSR caused significant reduction in trabecular number (Tb.N) compared to Sham (-33% and -16%, respectively). Further, Tb.N for 56Fe (2Gy) was significantly lower than SSR (-21%). Ex vivo culture of marrow cells to assess growth and differentiation of osteoblast lineage cells 6 months post-IR showed that both 56Fe and SSR exposures significantly impaired colony formation compared to Sham (-66% and -54%, respectively), as well as nodule mineralization (-90% and -51%, respectively). Two-way analysis of variance showed that both mechanical loading and radiation reduced BV/TV, mechanical loading reduced trabecular thickness (Tb.Th), and radiation reduced Tb.N, at both time points. To assess acute response to mechanical stimuli, samples were harvested from a subset of Sham-AL (n=5) and SSR-AL (n=5) to measure changes in gene expression levels. Preliminary results indicate that axial loading increased expression of the antioxidant response gene Nfe2l2 and the osteoprogenitor-associated marker Runx2 in the bone marrow cells, and there was an interaction effect between axial loading and radiation at 2-months post-IR. Additional analyses of gene expression levels in the mineralized tissue are in progress. Results indicate that SSR caused persistent impairment of osteoblast colony formation and nodule mineralization 6-mo post-IR. Contrary to our hypothesis, simulated space radiation did not impair the ability of cancellous bone to respond to a mechanical anabolic stimulus, consistent with our previous findings. Hence, compressive loading may be a potential countermeasure against spaceflight-induced bone loss.

MURINE SKELETAL↗
DOE OSTI2020

Applications of Hyporheic Zone Sampling for Assessing VOC Plume Engineered Remediation and Natural Attenuation Effectiveness - 20414

Determining the efficacy of engineered remedial actions and/or natural attenuation as an acceptable EPA Record of Decision (ROD) must address long-term temporal and spatial variability. Since final plume downslope destinations are aquifers and related surface streams and rivers, hyporheic zone sampling is essential. Comprehensive hyporheic sampling documents plume groundwater remediation prior to upwelling into stream benthic strata and natural attenuation within this dynamic zone itself. Our intensive sampling of the Savannah River Site (SRS) Chemical, Metals, and Pesticides (CMP) Pits VOC plume-fringe from 2005 to 2018 documented PCE natural attenuation and effectiveness of In Situ Thermal Treatment (ISTT). Most plume hyporheic upwelling was delimited to a 20 m inflow reach along Pen Branch. Our study utilized corroborative sampling methodologies: ambient hole-water grab samples: passive diffusion bags (PDB); and hole-core sediment samples to confirm station to station spatial and temporal trends. VOC hot spot detections were confirmed from both groundwater and soil core samples. VOC pathways through the Pen Branch hyporheic zone were assessed at hole-installation using sequential soil samples from augered cores and grab-samples of hole-bottom water. Longer term, composite water samples were collected from PDBs deployed for a minimum two-week equilibration period. Soil samples were collected from the 15 and 65 cm core levels in December 2017 and June 2018 at six stations. Additional core depths of 40 and 85 cm were sampled in June 2018 at the highest VOC station (5DB80). All samples were analyzed in an EPA certified lab by purge and trap GC-MS. Effectiveness of previous ISTT and soil vapor extraction (SVE) for this CMP Pits PCE plume, was clearly documented by significant downward trends in VOC at hyporheic zone stations prior to December 2015. Achieving final stage conversions of PCE daughter products to ethene and CO{sub 2} may be limited depending upon suitable interactions between hyporheic zone sediment morphology, hydrology, and redox conditions. Because declines in VOC daughter products at our hyporheic stations may also be caused by physical actions of dilution and dispersion rather than true biochemical dechlorination, full quantification of natural attenuation requires the use of compound-specific isotope ratio analysis (CSIA) and microbial 16S rRNA with qPCR. To assist these next-phase efforts, a natural attenuation index (NAI) was used to help produce quicker, more cost-effective decision making for locating CSIA and microbial sampling efforts. The NAI used natural logarithm transformed GC-MS results for station VOC degradation compounds versus VOC parent compounds. Wide differences were observed between stations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

A comparison of eight optimization methods applied to a wind farm layout optimization problem

Abstract. Selecting a wind farm layout optimization method is difficult. Comparisons between optimization methods in different papers can be uncertain due to the difficulty of exactly reproducing the objective function. Comparisons by just a few authors in one paper can be uncertain if the authors do not have experience using each algorithm. In this work we provide an algorithm comparison for a wind farm layout optimization case study between eight optimization methods applied, or directed, by researchers who developed those algorithms or who had other experience using them. We provided the objective function to each researcher to avoid ambiguity about relative performance due to a difference in objective function. While these comparisons are not perfect, we try to treat each algorithm more fairly by having researchers with experience using each algorithm apply each algorithm and by having a common objective function provided for analysis. The case study is from the International Energy Association (IEA) Wind Task 37, based on the Borssele III and IV wind farms with 81 turbines. Of particular interest in this case study is the presence of disconnected boundary regions and concave boundary features. The optimization methods studied represent a wide range of approaches, including gradient-free, gradient-based, and hybrid methods; discrete and continuous problem formulations; single-run and multi-start approaches; and mathematical and heuristic algorithms. We provide descriptions and references (where applicable) for each optimization method, as well as lists of pros and cons, to help readers determine an appropriate method for their use case. All the optimization methods perform similarly, with optimized wake loss values between 15.48 % and 15.70 % as compared to 17.28 % for the unoptimized provided layout. Each of the layouts found were different, but all layouts exhibited similar characteristics. Strong similarities across all the layouts include tightly packing wind turbines along the outer borders, loosely spacing turbines in the internal regions, and allocating similar numbers of turbines to each discrete boundary region. The best layout by annual energy production (AEP) was found using a new sequential allocation method, discrete exploration-based optimization (DEBO). Based on the results in this study, it appears that using an optimization algorithm can significantly improve wind farm performance, but there are many optimization methods that can perform well on the wind farm layout optimization problem, given that they are applied correctly.

17 WIND ENERGY↗
NASA NTRS2000

Optical Analysis of Transparent Polymeric Material Exposed to Simulated Space Environment

Many innovations in spacecraft power and propulsion have been recently tested at NASA, particularly in non-chemical propulsion. One improvement in solar array technology is solar concentration using thin polymer film Fresnel lenses. Weight and cost savings were proven with the Solar Concentrator Arrays with Refractive Linear Element Technology (SCARLET)-II array on NASA's Deep Space I spacecraft. The Fresnel lens concentrates solar energy onto high-efficiency solar cells, decreasing the area of solar cells needed for power. Continued efficiency of this power system relies on the thin film's durability in the space environment and maintaining transmission in the 300 - 1000 nm bandwidth. Various polymeric materials have been tested for use in solar concentrators, including Lexan(TM), polyethylene terephthalate (PET), several formulations of Tefzel(Tm) and Teflon(TM), and DC 93-500, the material selected for SCARLET-II. Also tested were several innovative materials including Langley Research Center's CPI and CP2 polymers and atomic oxygen- resistant polymers developed by Triton Systems, Inc. The Environmental Effects Group of the Marshall Space Flight Center's Materials, Processes, and Manufacturing Department exposed these materials to simulated space environment and evaluated them for any change in optical transmission. Samples were exposed to a minimum of 1000 equivalent Sun hours of near-UV radiation (250 - 400 nm wavelength). Materials that appeared robust after near-UV exposure were then exposed to charged particle radiation equivalent to a five-year dose in geosynchronous orbit. These exposures were performed in MSFC's Combined Environmental Effects Test Chamber, a unique facility with the capability to expose materials simultaneously or sequentially to protons, low-energy electrons, high-energy electrons, near UV radiation and vacuum UV radiation. Reflectance measurements can be made on the samples in vacuum. Prolonged exposure to the space environment will decrease the polymer film's transmission and thus reduce the conversion efficiency. A method was developed to normalize the transmission loss and thus rank the materials according to their tolerance to space environmental exposure. Spectral results and the material ranking according to transmission loss are presented.

Edwards, David L.↗
DOE OSTI2023

Analysis of Organic Electron Materials using Neutron Scattering (Final Report)

Neutron scattering is a powerful suite of measurement techniques that enable unique analysis of structure and dynamics of a wide variety of materials. Specifically, neutrons interact strongly with protons, which enables excellent contrast in light element organic materials that cannot be obtained with any other measurements. This series of three proposals focused on using inelastic neutron scattering (INS) to study the vibrations (dynamics) of the organic molecules involved in organic electronic devices. Our main goals were to demonstrate that INS is capable of elucidating new, useful, and unique knowledge about organic electronic samples that could be used to improve the function of devices or to solve outstanding problems that could not be solved using other measurement techniques. Since all of the goal involved using INS or other neutron techniques to do something “new” a large part of the effort was focused on complex data interpretation and development of modeling workflows that could be used by other members of the organic electronics community to study their materials. To facilitate the goal of making INS measurements more accessible to a broader community and for a wider range of materials, we optimized and engineered the computational workflows to be well documented, publicly available, and user friendly. The individual titles of the three sequential DOE-BES awards are: (1) Engineering doping profiles in organic semiconducting materials, (2) Measurement and modeling of molecular dopant structure and dynamics, and (3) Quantification of Dynamic Disorder in Electronic and Excitonic Organic Materials. For readability, this report is organized to highlight the progress of the research thematically. Many of the ideas started in one grant period and then spilled over into later awards and collaborative research.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Unsupervised probabilistic models for sequential Electronic Health Records

We develop an unsupervised probabilistic model for heterogeneous Electronic Health Record (EHR) data. Utilizing a mixture model formulation, our approach directly models sequences of arbitrary length, such as medications and laboratory results. This allows for subgrouping and incorporation of the dynamics underlying heterogeneous data types. The model consists of a layered set of latent variables that encode underlying structure in the data. These variables represent subject subgroups at the top layer, and unobserved states for sequences in the second layer. We train this model on episodic data from subjects receiving medical care in the Kaiser Permanente Northern California integrated healthcare delivery system. The resulting properties of the trained model generate novel insight from these complex and multifaceted data. In addition, we show how the model can be used to analyze sequences that contribute to assessment of mortality likelihood.

59 BASIC BIOLOGICAL SCIENCES↗