Verification of the Re-Released ENDF/B VIII.0 Based Thermal Scattering Libraries
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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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Predicting Li-Ion Battery Capacity Fade Using Early-Life Data and a Hybrid Data-Driven Gaussian Process-Bayesian Regression Approach
Accurately predicting Li-ion battery capacity trajectories using early-life data can dramatically improve battery-life understandings and be used to rapidly evaluate design/cost/performance trade-offs when developing new battery materials. Accurate early-life predictions enable researchers to quickly iterate over cell designs and material precursor properties without consistently cycling cells to failure. To this end, we present a toolbox that uses a combined Gaussian Process and Bayesian regression approach that capitalizes on signals other than just capacity (e.g., dQ/dV, voltage drops) to rapidly predict capacity-fade trajectories. The prediction tool uses Bayesian regression to fit functional forms, e.g., power law, sigmoids, etc., to predict capacity-fade dynamics. By fitting functional forms, the capacity fade can be interrogated at any point in the future, allowing for early cell-failure prediction. Additionally, Bayesian regression allows for accurate uncertainty estimates that account for cell-to-cell variability (aleatoric uncertainty) and the lack of observation data (epistemic uncertainty). By only using early cycle data to predict the capacity fade trajectory, uncertainty bounds at end-of-life can be extremely large. The large uncertainty bounds are further exacerbated because there is no systematic way to define the prior distribution of the functional forms' parameters. We improve our the predicted trajectory confidence interval of our predicted trajectory using two methods. First, we shows that a small amount of held-out cycling data is sufficientuse some train cells, that have been cycled to failure to derive information regarding the appropriate prior distributions for the functional forms' parameters of the functional form, effectively leading to data-driven priors.. We propose constructing the data-driven priors by first running a Bayesian regression starting with uninformed priors to generate intermediate cell-specific posterior parameter distributions. These posterior distributions are combined using a Ggaussian mixture model for each parameter to create the data-driven priors. These mixture models serve as the data-driven prior distributions for the parameters for. Second, we derive multiple features, e.g., C_dchg 0.5 DoD 0.5, log (|mean(dQ/dV_(w_3-w_0 ) (V)|), etc., from the train cellsheld-out cycling data, identify which the features are that best predicting capacity at early/mid-life cycles, and then create Ggaussian process regression models that are used for predicting capacity at early/mid-life cycles for the test cells (see blue dots with error bars in Fig 1b). Finally, these predicted data-points are used in addition to the actual early cycle data capacity fade to construct the Bayesian regression trajectory for the test cell s. Notably. We note that these two methods are complementary and can be combined with each other. We evaluate the performance of our proposed method on an testing open-source dataset from Iowa State University and Iowa Lakes Community College (ISU-ILCC). This dataset comprises of 251 nickel-manganese-cobalt/graphite Lithium-ion cells that are cycled under 63 different conditions. We compute the mean average percentage error (MAPE) and negative log predictive density (NLPD) to quantify the efficacy of our method. Our initial findings suggest that, when only few observations are available, for test cells, when using only Bayesian regression with uninformed priors, a power law functional provides the most accurate predictions. with very few data points. However, asHowever, a the number of data points increases, a twin sigmoidal function becomes more accurate as the number of observations further increases. We also find that using as little as 10% of the data set towards generating data-driven priors can lead to significant improvement in prediction accuracy when using early cycle data. Lastly, we found that augmenting early-cycle data with Gaussian process-predicted capacity data for Bayesian regression greatly improves the prediction accuracy. We will present a comprehensive comparison of our methods to other methods available in the literature and apply this method to additional battery datasets.
42 ENGINEERING↗
Encapsulation materials for photovoltaic arrays
As a part of the Low Cost Solar Array Project an encapsulation task has been established to identify, develop, and evaluate new low-cost, long-life encapsulation systems capable of meeting the project cost and performance goals. Low-cost material system candidates have been identified and are being characterized in laboratory and field tests with detailed evaluation of their environmental stability when subjected to temperature cycling, humidity, ultraviolet radiation, dirt, and various other environmental hazards.
Coulbert, C.↗
Properties of two composite materials made of toughened epoxy resin and high-strain graphite fiber
Results are presented from an experimental evaluation of IM7/8551-7 and IM6/18081, two new toughened epoxy resin, high strain graphite fiber composite materials. Data include ply-level strengths and moduli, notched tension and compression strengths and compression-after-impact assessments. The measured properties are compared with those of other graphite-epoxy materials.
Dow, Marvin B.↗
Radiation hard Ga 2 O 3 detectors for high energy physics
In this project, we explore the use of ultra-wide bandgap Ga 2 O 3 materials for fabricating next-generation radiation hard solid-state detectors for high energy physics (HEP) applications. As an emerging semiconductor, Ga 2 O 3 has ultra-wide bandgap (4.5-4.9 eV), high breakdown electric field (8 MV/cm) and much lower production cost compared with radiation hard diamond detectors, all of which make Ga 2 O 3 a great candidate material working in harsh radiation environment of future HEP experiments. The recent breakthrough of growth technologies of Ga 2 O 3 significantly improves the availability of large area single crystalline Ga 2 O 3 . We focus on an early proof-of-principle demonstration of Ga 2 O 3 detectors and conduct comprehensive material and detector characterization to evaluate the potential of the emerging Ga 2 O 3 as a new radiation-hard detector material. Our endeavors directly support the instrumentation development and update need of HEP experiments and fits very well into the DOE HEP “Detector R&D” research subprogram.
36 MATERIALS SCIENCE↗
Testing and Selection of Fire-Resistant Materials for Spacecraft Use
Spacecraft fire-safety strategy emphasizes prevention, mostly through the selection of onboard items classified accord- ing to their fire resistance. The principal NASA acceptance tests described in this paper assess the flammability of materials and components under "worst-case" normal-gravity conditions of upward flame spread in controlled-oxygen atmospheres. Tests conducted on the ground, however, cannot duplicate the unique fire characteristics in the nonbuoyant low-gravity environment of orbiting spacecraft. Research shows that flammability an fire-spread rates in low gravity are sensitive to forced convection (ventilation flows) and atmospheric-oxygen concentration. These research results are helping to define new material-screening test methods that will better evaluate material performance in spacecraft.
Friedman, Robert↗
LET and Range Characteristics of Proton Recoil Ions in Gallium Nitride (GaN)
A better understanding of the linear energy transfer and the range of proton recoil ions in gallium nitride is necessary to properly evaluate GaN device radiation tolerance. By analyzing the linear energy transfer (LET) and range of recoil heavy ions in GaN we can begin to reproduce the body of knowledge that exists for Si-based devices for this upcoming technology. Although the previous data on older technology has impressive depth and breadth we must be diligent and cautious in the application of these institutional intuitions when applied to emerging technologies such as GaN. As ever increasing materials science advances emerge, a sound methodology for evaluating new technologies must be established in order to apply what we know towards the effort of ensuring radiation tolerance.
gallium nitride (GaN)↗
Evaluation of Commercial Off-the-Shelf Sorbents and Catalysts for Control of Ammonia and Carbon Monoxide
Designers of future space vehicles envision simplifying the Atmosphere Revitalization (AR) system by combining the functions of trace contaminant (TC) control and carbon dioxide removal into one swing-bed system. Flow rates and bed sizes of the TC and CO2 systems have historically been very different. There is uncertainty about the ability of trace contaminant sorbents to adsorb adequately in high-flow or short bed length configurations, and to desorb adequately during short vacuum exposures. There is also concern about ambient ammonia levels in the absence of a condensing heat exchanger. In addition, new materials and formulations have become commercially available, formulations never evaluated by NASA for purposes of trace contaminant control. The optimal air revitalization system for future missions may incorporate a swing-bed system for carbon dioxide (CO2) and partial trace contaminant control, with a reduced-size, low-power, targeted trace contaminant system supplying the remaining contaminant removal capability. This paper describes the results of a comparative experimental investigation into materials for trace contaminant control that might be part of such a system. Ammonia sorbents and low temperature carbon monoxide (CO) oxidation catalysts are the foci. The data will be useful to designers of AR systems for future flexible path missions. This is a continuation of work presented in a prior year, with extended test results.
Luna, Bernadette↗
Evaluation of Commercial Off-the-Shelf Sorbents and Catalysts for Control of Ammonia and Carbon Monoxide
Designers of future space vehicles envision simplifying the Atmosphere Revitalization (AR) system by combining the functions of trace contaminant (TC) control and carbon dioxide removal into one swing-bed system. Flow rates and bed sizes of the TC and CO2 systems have historically been very different. There is uncertainty about the ability of trace contaminant sorbents to adsorb adequately in high-flow or short bed length configurations, and to desorb adequately during short vacuum exposures. There is also concern about ambient ammonia levels in the absence of a condensing heat exchanger. In addition, new materials and formulations have become commercially available, formulations never evaluated by NASA for purposes of trace contaminant control. The optimal air revitalization system for future missions may incorporate a swing-bed system for carbon dioxide (CO2) and partial trace contaminant control, with a reduced-size, low-power, targeted trace contaminant system supplying the remaining contaminant removal capability. This paper describes the results of a comparative experimental investigation into materials for trace contaminant control that might be part of such a system. Ammonia sorbents and low temperature carbon monoxide (CO) oxidation catalysts are the foci. The data will be useful to designers of AR systems for future flexible path missions. This is a continuation of work presented in a prior year, with extended test results.
Luna, Bernadette↗
Characterization of advanced nuclear materials under extreme environments
The performance of materials under extreme environments poses important fundamental questions about the behavior of condensed matter under far-from-equilibrium conditions. These conditions create challenges in materials design, testing and evaluation. One important aspect of advancing nuclear power is the discovery and investigation of new classes of materials able to withstand the harsh environments in nuclear reactors. However, investigating and understanding the performance of these materials requires sophisticated tools and characterization techniques and skills. Furthermore, the goal of this special issue is to present recent research on the characterization of the response of candidate advanced nuclear materials to extreme environments.
36 MATERIALS SCIENCE↗
Summary of process research analysis efforts
A summary of solar-cell process research analysis efforts was presented. Process design and cell design are interactive efforts where technology from integrated circuit processes and other processes are blended. The primary factors that control cell efficiency are: (1) the bulk parameters of the available sheet material, (2) the retention and enhancement of these bulk parameters, and (3) the cell design and the cost to produce versus the finished cells performance. The process sequences need to be tailored to be compatible with the sheet form, the cell shape form, and the processing equipment. New process options that require further evaluation and utilization are lasers, robotics, thermal pulse techniques, and new materials. There are numerous process control techniques that can be adapted and used that will improve product uniformity and reduced costs. Two factors that can lead to longer life modules are the use of solar cell diffusion barriers and improved encapsulation.
Burger, D. R.↗
Tribological evaluation of composite materials made from a partially fluorinated polyimide
Preliminary tribological studies on a new polyimide formulated from the diamine 2,2-bis 4-(4-aminophenoxy) phenyl hexafluoropane (4-BDAF) indicates polyimides made from this diamine have excellent potential for high temperature applications. Two different polyimides were formulated from the diamine, and five different composites were formulated using one of the polyimides. Composites were made using 10 weight percent (w/o) graphite fluoride powder, 20 w/o PTFE powder, 30 w/o silver powder, or 50 w/o carbon fibers, both graphitic and nongraphitic types. The powder additions did not improve the tribological properties as much as the carbon fibers, and the graphitic fibers produced better results than did the nongraphitic fibers. Results also indicated that improved high temperature stability and tribological properties may be obtained with a polyimide made from the dianhydride pyromellitic acid (PMDA) rather than the dianhydride benzophenonetetracarboxylic acid (BTDA).
Fusaro, R. L.↗
Capabilities of the Materials Contamination Team at Marshall Space Flight Center
The Materials Contamination Team of the Environmental Effects Group, Materials, Processes, and Manufacturing Department, has been recognized for its contribution to space flight, including space transportation, space science and flight projects, such as the reusable solid rocket motor, Chandra X-Ray Observatory, and the International Space Station. The Materials Contamination Team s realm of responsibility encompasses all phases of hardware development including design, manufacturing, assembly, test, transportation, launch-site processing, on-orbit exposure, return, and refurbishment if required. Contamination is a concern in the Space Shuttle with sensitivity bondlines and reactive fluid (liquid oxygen) compatibility as well as for sensitive optics, particularly spacecraft such as Hubble Space Telescope and Chandra X-Ray Observatory. The Materials Contamination Team has a variety of facilities and instrumentation capable of contaminant detection identification, and monitoring. The team addresses material applications dealing with environments, including production facilities, clean rooms, and on-orbit exposure. The team of engineers and technicians also develop and evaluates new surface cleanliness inspection technologies. Databases are maintained by the team for proces! materials as well as outgassing and optical compatibility test results for specific environments.
Burns, H. D.↗
Distinguishing photo-induced oxygen attack on alkyl chain versus conjugated backbone for alkylthienyl-benzodithiophene (BDTT)-based push–pull polymers
Synthetic design has enabled increasing power conversion efficiency advances in organic photovoltaics (OPV). One continuing knowledge gap is detailed understanding of single-material chemical (photo)stability. Many considerations are based on prior OPV-relevant donor homopolymer systems rather than the next-generation push–pull architectures. Generally, energetic offsets between the lowest occupied molecular orbital of the donor and molecular oxygen are assumed to dictate kinetics of photo-induced charge transfer to a super oxide radical. Herein we determine the ambient-induced photo-degradation pathways, presented as proposed site-specific arrow-pushing mechanisms, for five donor polymers all containing the same push unit – alkylthienyl-substituted-benzodithiophene (BDTT) – but with chemically distinct pull units. The donor-only polymer films were subject to controlled photobleaching in air as an accelerated degradation approach, coupled with simultaneous monitoring of absorptance. Sample subsets were periodically removed and analyzed with X-ray photoelectron spectroscopy, to evaluate near-surface chemical composition and oxygen additions to hetero reporter atoms on either the BDTT push unit or distinct pull unit (i.e., sulphur and nitrogen). Here, this methodology allows us to distinguish between different mechanisms of bond cleavage and formation. Overall, we find that neither polymer redox properties nor individual push or pull unit stability are sufficient to predict photo-oxidative degradation of these polymers. Rather, there is a greater dependence on the susceptibility of unique structural groups within a polymeric system. Alkyl chain oxygen addition is generally the first attack site and direct sulfur oxidation on the conjugated backbone occurs after saturation of the alkyl chain initiation sites. This work provides a standard that could be used to evaluate relative photo-oxidative (in)stability for new OPV materials quickly – prior to time-consuming device optimization – and demonstrates an effective methodology for correlating optical degradation with chemical structure alterations via spectroscopic signatures to guide synthetic design.
14 SOLAR ENERGY↗
Assessment of Intralaminar Progressive Damage and Failure Analysis Using an Efficient Evaluation Framework
Reducing the timeline for development and certification for composite structures has been a long standing objective of the aerospace industry. This timeline can be further exacerbated when attempting to integrate new fiber-reinforced composite materials due to the large number of testing required at every level of design. computational progressive damage and failure analysis (PDFA) attempts to mitigate this effect; however, new PDFA methods have been slow to be adopted in industry since material model evaluation techniques have not been fully defined. This study presents an efficient evaluation framework which uses a piecewise verification and validation (V&V) approach for PDFA methods. Specifically, the framework is applied to evaluate PDFA research codes within the context of intralaminar damage. Methods are incrementally taken through various V&V exercises specifically tailored to study PDFA intralaminar damage modeling capability. Finally, methods are evaluated against a defined set of success criteria to highlight successes and limitations.
Hyder, Imran↗
From lab to lamp: Understanding downconverter degradation in LED packages
Downconverters, primarily inorganic phosphors, are critical components in white solid-state LED-based lighting and liquid crystal display backlights. Research efforts have led to a fundamental understanding of a downconverter's absorption, photoluminescence, and efficiency as a function of composition, structure, and processing conditions. However, considerably less work has focused on the reliability of phosphors once they are incorporated into LED packages. Solving these issues is often the final step before the commercialization of new materials, but the significant resources and time required to evaluate and mitigate materials failure are rarely discussed in the literature. In this Perspective, we discuss the need for conducting downconverter reliability testing and the potential of accelerating, screening, and understanding downconverter failure modes. Our focus highlights the mechanisms of failure and discusses how this influences materials selection and the design of different LED packages. We also stress the potential for accelerated reliability testing protocols and note the potential role first-principles calculations and data-driven models could play in establishing the compositional-processing trends for different aspects of downconverter reliability. In conclusion, we close with possible research directions that could improve downconverter reliability and emphasize the importance of assessing a material's (chemical) stability where multiple manufacturing and processing steps can dictate system performance.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Project No. 5: Evaluating Dredged Materials for Energy Storage Applications with Economic and Carbon Benefits (CRADA Final Report)
The New York Power Authority (NYPA) is committed to supporting the Climate Leadership and Community Protection Act (CLCPA) through its VISION2030 strategic plan. As a clean energy provider, NYPA is seeking to demonstrate leadership in every aspect of its business by taking a comprehensive approach to sustainability management and integrating sustainability principles into day-to-day decision-making. This effort includes planning for climate resilience through projects that mitigate climate risk in our operations and prioritize climate opportunities in our investments. Canal Corporation, a subsidiary of NYPA, is charged with maintaining minimum water depths for navigation in the Cayuga-Seneca, Champlain, Erie and Oswego Canals. In order to do so, an average volume of 280,000 cubic yards of sediment is dredged annually and held in Upland Disposal Sites (UDS) permitted by the New York Department of Environmental Conservation (NYSDEC). The required on-land storage at UDSes are nearing capacity, and disposal opportunities are costly, both economically and environmentally. Novel energy storage technology developed by NREL provides an opportunity for meeting NYPA's need to find reuse options for dredged materials and commitment to providing clean reliable energy. This would also support NYPA's goal of developing 300 MW of utility scale storage and enabling 150 MW of distributed storage by 2030. NREL will consult NYPA on the environmental and economic impact of reusing dredged materials as useful commodities such as energy storage media, construction sand or industrial uses. Test and material characterization methods will be based on current NREL storage material characterization approaches. NREL worked with NYPA on sample preparation, material testing, test results analysis. Test and material characterization methods were based on current NREL storage material characterization approaches. The team analyzed the environmental and economic impact of reusing dredged materials as useful commodities such as energy storage media, construction sand or industrial uses. The test and analysis works have achieved the project goal in characterizing NYPA dredging materials and verifying their various uses including construction sand and thermal energy storage media. Uses of dredging materials as useful materials will bring economic and environmental benefits and avoid disposal costs.
25 ENERGY STORAGE↗
Rational sub-nanometer manipulation of polymer morphology for efficient chemical separations
The ability to control polymer morphology on the sub-nanometer length scale has broad implications for chemical separations. To achieve such control on easily processable systems, this proposal focuses on the synthesis and characterization of polymers containing appended labile moieties that are easily detached by thermolysis or UV irradiation deep within the glassy state. Once liberated, these moieties can diffuse from the polymer matrix as gaseous products, leaving behind templated pathways for selective diffusion and sorption of small molecules. With a specific target of creating polymeric membrane materials with unprecedented diffusion and (ad)sorption characteristics for chemical separations, synthesis of new materials will be complemented with advanced metrologies, simulations, and evaluation of thermodynamic and transport theory.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗