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

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At least 73 records · Page 4

Establishing and Maintaining the Digital Thread of Additively Manufactured Materials and Applications

Additive Manufacturing (AM) and Integrated Computational Materials Engineering (ICME) are complementary enabling technologies for design and manufacturing of “fit-for-purpose” materials. Both technologies will impact rapid material design, reduction in cost- and time-to-market for new applications, and discovery and implementation of new materials. An ICME approach to design, however, requires experimentally validated material models at multiple length and time scales, an integrated framework that can connect analysis tools with one another to ensure the digital thread of an application is maintained, and the manufacturing (e.g., AM) capability to leverage processing-structure-property-performance (PSPP) relationships to achieve spatially varying material properties where desired. AM enables the implementation of the design of an optimized, spatially varying microstructure through careful selection of the processing parameters used during an additively manufactured build. In order to establish these PSPP relations, a large amount of data is necessary, and that data must be properly captured, analyzed and maintained in an information management system that can establish the required traceability between various aspects of the design process to ensure an application’s digital thread is maintained (from design to end of life). Such an information management system must be able to capture feedstock material pedigree, resulting microstructure from various build parameters, subsequent mechanical properties derived from testing, developed material models, and enable spatial variations in material assignment in an engineering application. Furthermore, the information management system should be easily integrated with traditionally engineered materials in a single, centralized platform to enable an ICME optimization tool to explore both types of manufacturing processes. At NASA GRC, a robust, 21st century materials information management system has been previously developed with a focus towards enabling ICME. In this work, GRC’s ICME schema is extended to accommodate additively manufactured materials, enabling storage of both traditionally and additively manufactured materials in the same construct. The methodology for properly capturing additively manufactured materials across the entire material lifecycle is presented, following the previously established database best practices, as a potential framework for establishing PSPP relationships for additively manufactured materials and applying them to engineering applications.

Data management↗

New Capability at ORNL: High Precision Uranium Titration

Destructive analytical measurements establish a nuclear facility’s nuclear material inventory and inventory differences for Nuclear Material Accountancy and Control. A nuclear laboratory’s ability to perform accurate high-precision analytical measurements is key for tracking large inventories within a facility’s material balance areas and during production to track material movement through dynamic processes. For uranium, these measurements are made by using several established high-precision measurement protocols. These include isotope dilution mass spectrometry, gravimetry, and potentiometric titrations. Whatever measurement technique a nuclear lab chooses to use, reference materials (RMs) with certified attributes and accompanying uncertainties are used to calibrate measurement systems, and are the cornerstone for accurate results. In addition to calibration, RMs provide for metrological traceability, are used for method development and validation, and thus provide critical evaluations of the appropriateness and performance of analytical processes used. Evaluations may include validation that a method is fit-for-purpose, quantification of systematic and random biases, and the evaluation of long-term and short-term performance metrics. High-precision measurement techniques require that measured attributes be certified to a high degree of precision in the RMs used—ultimately, to a higher degree than that of the measurement technique itself. The US authority on the production of special nuclear material Certified Reference Materials is the NBL Program Office (NBLPO), formally known as New Brunswick Laboratory (NBL). The NBLPO is responsible for the sales and distribution of existing NBL certified reference materials (CRMs) and for the production of the next generation of nuclear RMs. To accomplish its mission, NBLPO is establishing key base capabilities within the DOE laboratory complex that formerly existed at the NBL laboratory. The Nuclear Analytical Chemistry (NAC) section within the Chemical Sciences Division (CSD) at Oak Ridge National Laboratory (ORNL) is currently working with NBLPO to set up laboratory and measurement capabilities to provide measurements and capabilities for production and/or recertification of existing and future CRMs for uranium assay. The NBL-developed high-precision titration (HPT) method is a critically-evaluated, extremely precise and accurate primary method utilized for the determination of uranium content in a variety of uranium materials. The HPT method, combined with detailed balance weighing protocols, provides for an analytical methodology that is unsurpassed in precision and one in which all sources of error have been evaluated, a requirement of CRM certification. HPT capability within the United States was lost with the closure of the labs at NBL. The NAC has been collaborating with NBLPO to stand up and demonstrate the capability to perform uranium assay via HPT at ORNL. HPT can produce results with an expanded uncertainty of approximately 0.01% for pure uranium compounds, with typical precisions of <0.006%. The major tasks required to stand up the method at ORNL were the refurbishment of a dedicated lab and equipment setup, procedure development, analyst training, establishing method-specific quality assurance, and qualification of an analyst to perform the method. This report summarizes these tasks, outlines the documents drafted, and gives the outcome of the qualification titrations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Modeling Entry Systems to Explore Our Solar System

Exploration of our Solar System is a foundational element of NASA’s identity. Delivering a scientific payload through an atmosphere to the surface of a planetary body requires safely navigating the extreme temperatures and stresses generated by flying many times the speed of sound. An entry system is the outer shell of a vehicle designed to protect the payload and, as a single point of failure for a mission, reliability is paramount. Unfortunately, it is not possible to fully replicate the flight environment in ground test facilities – so how do we confidently design a vehicle that needs to work the first time, every time? Modeling and simulation are critical tools for filling gaps in ground test capability and providing traceability from ground to flight. Modeling an entry system is a truly interdisciplinary effort, requiring knowledge of fluid dynamics, high-temperature chemistry, radiation, materials science, structural dynamics, guidance and control – and, finally, the mathematical and computing capability to pull it all together. In this talk, Dr. Michael Barnhardt will discuss the latest research in modeling entry systems and how it is being used in NASA’s exploration missions.

Entry systems↗

SPRITE: A TPS Test Bed for Ground and Flight

Engineers in the Entry Systems and Technology Division at NASA Ames Research Center developed a fully instrumented, small atmospheric entry probe called SPRITE (Small Probe Reentry Investigation for TPS Engineering). SPRITE, conceived as a flight test bed for thermal protection materials, was tested at full scale in an arc-jet facility so that the aerothermal environments the probe experiences over portions of its flight trajectory and in the arc-jet are similar. This ground-to-flight traceability enhances the ability of mission designers to evaluate margins needed in the design of thermal protection systems (TPS) of larger scale atmospheric entry vehicles. SPRITE is a 14-inch diameter, 45 deg. sphere-cone with a conical aftbody and designed for testing in the NASA Ames Aerodynamic Heating Facility (AHF). The probe is a two-part aluminum shell with PICA (phenolic impregnated carbon ablator) bonded on the forebody and LI-2200 (Shuttle tile material) bonded to the aftbody. Plugs with embedded thermocouples, similar to those installed in the heat shield of the Mars Science Laboratory (MSL), and a number of distributed sensors are integrated into the design. The data from these sensors are fed to an innovative, custom-designed data acquisition system also integrated with the test article. Two identical SPRITE models were built and successfully tested in late 2010-early 2011, and the concept is currently being modified to enable testing of conformable and/or flexible materials.

Ablation↗

Product traceability for NASA space systems

Identification as a specific point in a quality publication revealed in the year 1962, that it was a somewhat controversial subject with something lacking in groundrule definitions. The basic key to 'traceability' is establishment of proper identification numbers. These are: (1) serial numbers for control of individual articles, assemblies or equipment; (2) lot numbers for control of materials, articles and/or assemblies produced in homogeneous groups or through a controlled process; (3) date codes on articles or materials made by a continuous or controlled process and on such items subject to variations or degradation with age; or (4) combinations of the above.

Dyer, Morris K.↗

Development Progress in Phase 1 Fission Propulsion Systems

Phase 1 fission propulsion systems are those fission propulsion systems that are highly testable and require no development of nuclear fuels or materials. The systems can be developed without new or significantly modified facilities, have adequate performance for numerous missions of interest, and demonstrate technologies and programmatics that are traceable to Phase 2 and Phase 3 systems. Phase 1 fission propulsion systems focus on safety, cost and schedule. Phase 1 flight units can be tested at full thrust using resistance heaters to simulate heat from fission. The development and use of Phase 1 systems will help enable Phase 2 or Phase 3 fission propulsion systems capable of giving rapid, affordable access to any point in the solar system. A Phase 1 fission propulsion system under development at the Marshall Space Flight Center (MSFC) in collaboration with individuals from Department of Energy Laboratories and industry is the Safe Affordable Fission Engine (SAFE). The propellant energy source of a 30 kW SAFE unit (SAFE-30) is being fabricated, and will begin testing at MSFC in FY00. The conceptual design of a 300 kW SAFE unit (SAFE-300)is nearing completion. Experiments have been performed on both SAFE-30 and SAFE-300 components. Module tests have confirmed the performance potential of the SAFE series of propulsion systems. This paper will report on the development status of the Phase 1 SAFE fission propulsion system.

Houts, Michael G.↗

Automation of Solid Oxyde Electrolyzer Cell (SOEC) & Stack Assembly

The work performed under this agreement before the No/Go decision amounted to the following: 1. Preliminary manufacturing requirements defined by business sensitivity, baseline processes & risk assessment; 2. Process & materials development, in-line gauge exploration, and preliminary automation work used to reduce risk & further refine equipment specifications; 3. “Request for Quote” issued to multiple suppliers for major equipment; 4. Application specific equipment, hardware, and fixturing will be more beneficial to fabricate inhouse; 5.Current proposals & estimates meet cycle time, capital spend, & direct labor; space is on target but requires awareness; 6. Team will continue to explore opportunities to reduce risk (dry time, traceability); 7. Go / No-Go, Purchase Orders, Equipment build & commissioning next All other future task were not completed because during the Go /No-Go decision it was confirmed this project was a "No-Go" and did not proceed past BP1; these included the following: 1. Preliminary manufacturing requirements defined by business sensitivity, baseline processes & risk assessment; 2. Process & materials development, in-line gauge exploration, and preliminary automation work used to reduce risk & further refine equipment specifications; 3. “Request for Quote” issued to multiple suppliers for major equipment; 4. Application specific equipment, hardware, and fixturing will be more beneficial to fabricate inhouse; 5. Current proposals & estimates meet cycle time, capital spend, & direct labor; space is on target but requires awareness; 6. Team will continue to explore opportunities to reduce risk (dry time, traceability) In final preparation of the termination of the Automation of Solid Oxyde Electrolyzer Cell (SOEC) & Stack Assembly, Cummins has purchased no equipment with government funds, and there is no government-owned property in Cummins possession related to this project. Minimal labor and travel were completed and paid. This acts as the Final technical report and concludes our business with DOE on this grant.

36 MATERIALS SCIENCE↗

Development of Standardized Lunar Regolith Simulant Materials

Lunar exploration requires studies using standardized testing procedures. Previous lunar simulants focused on physical aspects of the lunar regolith. Renewed lunar exploration requires standardized lunar regolith simulant (SLRS) materials that simulate the physical, chemical, and mineralogical properties of the regolith [l]. A root simulant models an end-member, and a derivative is formed by addition of material [2]. The 2005 Workshop recommended a low-Ti mare basalt and a high-Ca highland anorthosite set of roots. Derivatives involve addition of ilmenite and glassy agglutinates [3]. An ideal SLRS material is homogeneous. Geochemical standards are finely-ground to reduce chemical variability, but lunar simulants have a grain size variation and mineralogy that must match the lunar regolith. The simulant homogeneity is monitored using major, minor, and trace element data of progressively smaller samples compared to bulk material. Both chemical and geotechnical properties depend on the contrast from grain to grain. The variability of simulant material is an inherent property that must be taken into account. Simulant production requires monitoring of adherence to simulant requirements and homogeneity during production. Quality control establishes a traceability to a master set of reference standards.

Carpenter, P.↗

CatTestHub: A benchmarking database of experimental heterogeneous catalysis for evaluating advanced materials

The ability to quantitatively compare newly evolving catalytic materials and technologies is hindered by the widespread availability of catalytic data collected in a consistent manner. While certain catalytic chemistries have been widely studied across decades of scientific research, quantitative comparisons based on literature information is hindered by variability in reaction conditions, types of reported data, and reporting procedures. Here, we present CatTestHub, an open-access database dedicated to benchmarking experimental heterogeneous catalysis data. Combining systematically reported catalytic activity data for selected probe chemistries, with relevant material characterization and reactor configuration information, the database provides a collection of catalytic benchmarks for distinct classes of active site functionality. Through key choices in data access, availability, and traceability, CatTestHub seeks to balance the fundamental information needs of chemical catalysis and the FAIR data design principles. Details of the database architecture and the means through which to navigate it are presented, highlighting examples of catalytic insights readily drawn from the available benchmarking data. In its current iteration, CatTestHub spans over 250 unique experimental data points, collected over 24 solid catalysts, that facilitated the turnover of 3 distinct catalytic chemistries. Here, a roadmap is presented through which to expand the open-access platform that serves as a community wide benchmark, primarily through continuous addition of kinetic information on select catalytic systems by members of the heterogeneous catalysis community at large.

Benchmark↗

Test GammaPix™ Radiation Detection Software with Smartphones

GammaPix™ is a smartphone application that uses smartphone cameras to detect ionizing radiation. Brookhaven National Laboratory (BNL) evaluated the performance of the software in detecting radioactive materials. For this purpose, a series of tests were conducted at the Radiation Calibration Facility Annex at BNL. The experiments included dose measurements with three types of NIST-traceable calibration sources, 60Co, 241Am, and 137Cs. The recorded results by GammaPix™ were compared with the values measured by calibrated dosimeters to determine the detection thresholds. Several selected models of iPhones and Android cell phones with different pixel sizes and resolution were tested. In this paper, we present the test procedures and discuss the test results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Sectioning of NBG-17 Graphite Billet

The Advanced Reactor Technologies (ART) Baseline Graphite Characterization program at the Idaho National Laboratory (INL) is performing a comprehensive evaluation of inter-billet variations in as-produced nuclear-grade graphite. Before graphite test specimens are machined, the full-size billets must be pre-sectioned into sub-blocks that can be more easily handled and shipped. As manufactured, NBG-17 billets are rectangular in shape, nearly 6 feet in length, and may exceed 1,500 pounds in weight. Sectioning of these billets must be accomplished via a supplier that is capable of handling and cutting the billets into individual slabs and quartering these slabs into sub-blocks. Billets will be pre-labeled by the Purchaser prior to leaving controlled storage such that traceability of any individual sub-block is never lost during sectioning operations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Characterizing the Uncertainty of Measurement of Traceable Isotope Ratios with Bayesian Statistical Techniques

Analytical techniques such as multicollector—inductively coupled plasma—mass spectrometry (MC-ICP-MS) are routinely employed at SRNL, other National Laboratories, and in academia to determine the precise isotopic composition of diverse natural and anthropogenic samples (e.g., rocks and nuclear materials). Quantifying and reporting uncertainty in such analyses, while regularly performed, have a rigorous statistical foundation. The Guide to the Expression of Uncertainty in Measurement 4 (GUM) outlines conventional techniques used to assess such uncertainty. As the accessibility and speed of statistical computing increase, there is a need to modernize conventional techniques. For example, Supplement 1 to the 3rd to the GUM suggests the use of approximation methods as an updated approach to the GUM.

McLarty, Ellis C.↗

Carbonyl Identification and Quantification Uncertainties for Oxidative Polymer Degradation

The most revealing indicator for oxidative processes or state of degraded plastics is usually carbonyl formation, a key step in materials degradation as part of the carbon cycle for man-made materials. Hence, the identification and quantification of carbonyl species with infrared spectroscopy have been the method of choice for generations, thanks to their strong absorbance and being an essential intermediate in carbon oxidation pathways. Despite their importance, precise identification and quantification can be challenging and rigorous fully traceable data are surprisingly rare in the existing literature. An overview of the complexity of carbonyl quantification is presented by the screening of reference compounds in solution with transmission and polymer films with ATR IR spectroscopy, and systematic data analyses. Significant variances in existing data and their past use have been recognized. Guidance is offered how better measurements and data reporting could be accomplished. Experimental variances depend on the combination of uncertainty in exact carbonyl species, extinction coefficient, contributions from neighboring convoluting peaks, matrix interaction phenomena and instrumental variations in primary IR spectral acquisition (refractive index and penetration depth for ATR measurements). In addition, diverging sources for relevant extinction coefficients may exist, based on original spectral acquisition. For common polymer degradation challenges, a relative comparison of carbonyl yields for a material is easily accessible, but quantification for other purposes, such as degradation rates and spatially dependent interpretation, requires thorough experimental validation. All variables featured in this overview demonstrate the significant error margins in carbonyl quantification, with exact carbonyl species and extinction coefficients already being major contributors on their own.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Radiometric Standards and Best Practices: Recent Progress

International standards and best practices for solar resource assessments provide assurance for traceable measurements associated with a low uncertainty. This benefits the solar energy industry by reducing the investment risks through heightened confidence in the solar resource information. NREL, in collaboration with international organizations, such as subcommittees G03 of ASTM (Radiometry) and TC180/SC1 of ISO (Climate measurement and data), recently revised some standards that are widely used by the solar industry. These include radiometric standards that assist in (i) maintaining calibration traceability; (ii) uncertainty analysis; (iii) measurement quality assurance, and (iv) establishing reference spectral irradiance distributions. The latter are widely used by the solar community to evaluate the actual absorptance, reflectance, and transmittance of solar energy materials, or the performance of solar energy devices and systems, relative to standard conditions. This paper provides a summary of the recent changes brought to these standards as a way to better support the solar energy industry.

industries↗

A Workflow to Rapidly Interrogate Multiscale Model Simulation Results Across Multiple Length Scales

Many tools can be used to visualize field and state variables for a single scale analysis so that the influence of relevant mechanisms can be evaluated. Finite element software is often utilized to simulate a unit cell of a material and visualize results at that scale. Material properties can be homogenized from individual constituents and local deformation, damage, and failure mechanisms can be evaluated within the unit cell due to globally applied boundary conditions. Such solutions can produce satisfactory results if a user is only interested in analyzing a single scale. But materials in general contain features across multiple length scales, and assumptions must be made when attempting to account for lower length scale phenomena within a higher length scale model. Multiscale modeling is an attractive means to model materials because detailed material responses can be tracked across multiple disparate length scales while reducing the amount of required assumptions. However, as the complexity of these models increases, a large amount of data can be produced, and data traceability can become increasingly more difficult. Field and state variables, which are naturally dependent on spatial position, may themselves be calculated from one or more lower length scale unit cell models each with their own appropriate field and state variables. The NASA Multiscale Analysis Tool (NASMAT) is one software that can be used to perform a multiscale analysis efficiently and output requested data at all length scales in the analysis. A companion open-source Python software, NASMAT PrePost, can be used to visualize NASMAT model results and rapidly interrogate multiscale data across multiple length scales. This presentation will demonstrate some of the key features of NASMAT PrePost on two multiscale problems by quickly displaying and demonstrating connectivity among multiscale results from large datasets.

Python↗

Approach to Quality Assurance for Complex Environmental Modeling - 20407

A strong Quality Assurance (QA) program for complex environmental modeling is essential for regulatory and public acceptance and trust, but it does not have to be onerous. Neptune and Company, Inc. (Neptune) has developed a strong QA program that improves transparency, traceability, reproducibility, and therefore, defensibility and trust. Neptune's QA program has evolved over the past 27 years, transitioning from an ad hoc QA program, to a program that is currently Nuclear Quality Assurance-1 (NQA-1) compliant, and will soon be NQA-1/DOE approved for DOE EM modeling work. In addition, Neptune is a qualified laboratory assessor and qualified auditor for reference materials, a proficiency testing provider, and fully complies with the Environmental Protection Agency (EPA) QA program. Neptune's President and CEO, Kelly Black, was recently named the Chairperson of the International Organization for Standardization (ISO) Technical Committee 69, Application of Statistical Methods. A strong QA program has been developed for Neptune's radiological performance assessment (PA) program. Although pieces of their QA program are currently in development, their current program includes document control using Subversion, issue tracking and work flow tracking using JIRA, and transparency and traceability via a system of 'calc sheets' for documentation of all data analysis and modeling combined with 'check print' documentation of QA checking, and rigorous model testing and configuration control. All work is reviewed by an independent subject matter expert who is not associated with the collection and assembly of information, for an internal peer review. The program is enforced with a handful of Standard Operation Procedures (SOPs), Work Instructions, QA Project Plans (QAPPs), and Quality Management Plans (QMPs) that are updated frequently, with required annual training and acknowledgment. In addition, effective communication of modeling approaches and results to clients and stakeholders are integral to their QA program. Many of their models are built using the GoldSim modeling platform, for which their models are well-known for their level of transparency, documentation, and QA traceability. This level of QA is also applied to their process-level models. Neptune has taken some lessons learned from the extremely rigorous QA program required for the Yucca Mountain Project (YMP), and imposed the YMP requirements of complete traceability, transparency, and reproducibility, but avoided the inflexibility of a QA program that likely contributed to the suspect e-mails in 2005 that resulted in loss of trust in the YMP, and in nuclear waste disposal (and nuclear power) in general. There are far too many examples of loss of public trust due to poor QA that could have been easily avoided with a simple and straight-forward QA program combined with stakeholder engagement. The purpose of this paper is to share features of Neptune's Radiological Performance Assessment program QA program, and some of their QA related lessons learned over the past 27 years of QA for complex environmental modeling. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Sensitivity of UO 2 fuel performance to microstructural evolutions driven by dilute additives

Use of dilute additives to nuclear fuel is being considered to increase the security of commercial fuel management through traceability of fabricated fuel elements. Taggants, as additives are denoted when included for traceability purposes, may also improve fuel performance, as demonstrated in Cr-containing uranium dioxide as described in the literature, and they may also improve fuel safety. In fact, studies have shown that some additives affect fuel material properties such as grain size and density after sintering. Given the possible range of elements that could be used as additives, the impact of such fuel property variations on the fuel’s thermomechanical behavior becomes relevant. These effects can be evaluated through a sensitivity study of standard fuel models to analyze changes in these properties using a fuel performance code. In this work, the BISON code is being used to investigate these effects through a 2D axisymmetric model of smeared UO 2 fuel pellets and ZIRLO® cladding under realistic pressurized water reactor core irradiation conditions. Here, randomly sampled densities and grain sizes within specified ranges are used as input parameters in the simulations, and several fuel model-related outputs are evaluated. The thermomechanical response of the cladding is also addressed in this study. The simultaneous variation of both input parameters offers a more comprehensive path to identify key sensitivities. Outputs explored include temperature, fission gas release, creep, and radial stress. Results show that although most of these outputs are sensitive to grain size to a certain extent, density mainly affects fuel temperature and elastic strain. Furthermore, sensitivities can vary depending on the radial position within the fuel pellet.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Understanding the Role of Cesium on Chemical Complexity in Methylammonium-Free Metal Halide Perovskites

Mixed cesium- and formamidinium-based metal halide perovskites (MHPs) are emerging as ideal photovoltaic materials due to their promising performance and improved stability. While theoretical predictions suggest that a larger composition ratio of Cs (≈30%) aids the formation of a pure photoactive α-phase, high photovoltaic performances can only be realized in MHPs with moderate Cs ratios. In fact, elemental mixing in a solution can result in chemical complexities with non-equilibrium phases, causing chemical inhomogeneities localized in the MHPs that are not traceable with global device-level measurements. Thus, the chemical origin of the complexities and understanding of their effect on stability and functionality remain elusive. Herein, through spatially resolved analyses, the fate of local chemical structures, particularly the evolution pathway of non-equilibrium phases and the resulting local inhomogeneities in MHPs is comprehensively explored. It is illustrated that Cs-rich MHPs have substantial local inhomogeneities at the initial crystallization step, which do not fully convert to the α-phase and thereby compromise the optoelectronic performance of the materials. These fundamental observations allow the authors to draw a complete chemical landscape of MHPs including nanoscale chemical mechanisms, providing indispensable insights into the realization of a functional materials platform.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗