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DOE OSTI2016

Demonstration of a prototype hydrogen sensor and electronics package

This is a progress report for the demonstration of a prototype hydrogen sensor and electronics package. There are five tasks associated with this, and four have been completed as of August 2016: Station Demonstration and Site Recommendation, Order Sensor Equipment, Build Sensors, and Install Sensors. The final task to be completed is Sensor Demonstration and Data Analysis, and expected completion date is January 26, 2017. This progress report details each of the tasks and goes into detail about what is currently being worked on, along with the budget and planned work for July 27, 2016 to January 26, 2017.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Remaining Life Determination

This project developed and demonstrated the capability of nondestructive evaluation methods for detecting early stage fatigue damage in grey cast iron metal. Non-collinear ultrasonic wave mixing and laser speckle differentiation were the primary technologies evaluated on custom fatigue specimens having properties specified by Caterpillar, Inc. The ultrasonic method showed the greatest potential for estimating the remaining fatigue life in grey cast iron, which may provide remanufacturers with a level of confidence when fielding used component cores in high-stress applications. While successes were realized during this project, there are still follow-on research tasks required to prove the commercial applicability of the methods. The following report sections document the steps completed during the project and an assessment of the technologies applied.

36 MATERIALS SCIENCE↗

NASA NTRS1986

Thermal-mechanical fatigue behavior of nickel-base superalloys

The main achievements of a 36-month research program are presented. The main objective was to gain more insight into the problem of crack growth under thermal mechanical fatigue (TMF) conditions. This program was conducted at M.I.T. for the period of September 1982 to September 1985. The program was arranged into five technical tasks. Under Task I, the literature of TMF data was reviewed. The goal was to identify the crack propagation conditions in aircraft engines (hot section) and to assess the validity of conventional fracture mechanics parameters to address TMF crack growth. The second task defined the test facilities, test specimen and the testing conditions needed to establish the effectiveness of data correlation parameters identified in Task I. Three materials (Inconel X-750, Hastelloy-X, and B-1900) were chosen for the program. Task II was accomplished in collaboration with Pratt & Whitney Aircraft engineers. Under Task III, a computerized testing system to measure the TMF behavior (LCF and CG behaviors) of various alloys systems was built. The software used to run isothermal and TMF tests was also developed. Built around a conventional servohydraulic machine, the system is capable of push-pull tests under stress or strain and temperature controlled conditions in the temperature range of 25C to 1050C. A crack propagation test program was defined and conducted under Task IV. The test variables included strain range, strain rate (frequency) and temperature. Task V correlated and generalized the Task IV data for isothermal and variable temperature conditions so that several crack propagation parameters could be compared and evaluated. The structural damage (mode of cracking and dislocation substructure) under TMF cycling was identified and contrasted with the isothermal damage to achieve a sound fundamental mechanistic understanding of TMF.

Pelloux, R. M.↗

NASA NTRS2000

Team Training and Retention of Skills Acquired Above Real Time Training on a Flight Simulator

Above Real-Time Training (ARTT) is the training acquired on a real time simulator when it is modified to present events at a faster pace than normal. The experiments related to training of pilots performed by NASA engineers (Kolf in 1973, Hoey in 1976) and others (Guckenberger, Crane and their associates in the nineties) have shown that in comparison with the real time training (RTT), ARTT provides the following benefits: increased rate of skill acquisition, reduced simulator and aircraft training time, and more effective training for emergency procedures. Two sets of experiments have been performed; they are reported in professional conferences and the respective papers are included in this report. The retention of effects of ARTT has been studied in the first set of experiments and the use of ARTT as top-off training has been examined in the second set of experiments. In ARTT, the pace of events was 1.5 times the pace in RTT. In both sets of experiments, university students were trained to perform an aerial gunnery task. The training unit was equipped with a joystick and a throttle. The student acted as a nose gunner in a hypothetical two place attack aircraft. The flight simulation software was installed on a Universal Distributed Interactive Simulator platform supplied by ECC International of Orlando, Florida. In the first set of experiments, two training programs RTT or ART7 were used. Students were then tested in real time on more demanding scenarios: either immediately after training or two days later. The effects of ARTT did not decrease over a two day retention interval and ARTT was more time efficient than real time training. Therefore, equal test performance could be achieved with less clock-time spent in the simulator. In the second set of experiments three training programs RTT or ARTT or RARTT, were used. In RTT, students received 36 minutes of real time training. In ARTT, students received 36 minutes of above real time training. In RARTT, students received 18 minutes of real time training and 18 minutes of above real time training as top-off training. Students were then tested in real time on more demanding scenarios. The use of ARTT as top-off training after RTT offered better training than RTT alone or ARTT alone. It is, however, suggested that a similar experiment be conducted on a relatively more complex task with a larger sample of participants. Within the proposed duration of the research effort, the setting up of experiments and trial runs on using ARTT for team training were also scheduled but they could not be accomplished due to extra ordinary challenges faced in developing the required software configuration. Team training is, however, scheduled in a future study sponsored by NASA at Tuskegee University.

Ali, Syed Friasat↗

DOE OSTI2019

Thermodynamics and Kinetics of Phase Transformations in Energy Materials (Final Report)

The primary goal of this program is to develop computational tools and methodology for enabling a shift from empirical trial-and-error driven materials discovery towards data and information technology driven design of materials with targeted functional properties. Both thermodynamic and kinetic factors need to be taken into account when designing new materials. Thermodynamics sets the necessary-but-not-sufficient conditions for the suitability of a particular material in a given application, while the kinetics controls the rates of microscopic processes and hence the performance in energy applications (e.g., power in energy storage, conversion efficiencies in solar cells and thermoelectrics, chemical activity in catalysis). The complexity of these phenomena makes computational design difficult, not least due to the lack of suitable theoretical methods and computational tools. To address these needs, we develop systematic, quantitatively accurate first-principles methods to address two important problems: (i) predict and optimize the thermodynamics of materials over a large composition and structure space, and (ii) model kinetic processes such as mass and heat transport in crystalline solids under non-equilibrium conditions. These tasks are addressed by combining high-throughput computation with automatic construction of accurate lattice models using mathematically rigorous methods of information theory, such as compressive sensing and Bayesian inference.

36 MATERIALS SCIENCE↗

NASA NTRS2005

Ice photochemistry as a source of amino acids and other organic molecules in meteorites, and implications for the origin of life and the search for life in the Solar System

The tons of extraterrestrial organic material that come to the Earth every day probably helped to made the Earth habitable, and possibly played a role in the origin of life. At the astrochemistry lab (http://www.astrochem.orq) we investigate the formation and distribution of organic molecules in space and consider the impact such molecules may have on the habitability of planets and the search for life in the Solar System. The organic compounds in meteorites include amino acids, aromatics of various sorts including purine and pyrimidine bases, and fatty acids that form bi-layer vesicles. The origin of many of these species remains mysterious, but in recent years we and others have performed experiments that suggest low temperature radiation chemistry could account for the presence and deuterium enrichment of many of these molecules. . I will present our laboratory experiments that show the viability of low temperature radiation chemistry as a source of organic molecules such as;amino acids (Nature, 2002, 416, 401-403), amphiphiles (Astrobiology, 2003, 2, 371, Proc. Nat. Acad. Sci. 2001, 98, 815), quinones (Science, 1999, 283, 1135) and other functionalized aromatic compounds (Meteoritics, 2001, 36, 351 ; Astrophysical Journal., 2003, 582, L25), some of which were invoked as potential biomarkers in the Alan Hills 84001 Martian meteorite. Understanding how components of proteins and DNA could form in sterile space environments is also of relevance to our search for life elsewhere in the Solar System, the great task now ahead of NASA. If we find evidence of Life elsewhere in the Solar System it will probably be in form of chemical biomarkers, quintessentially biological molecules that indicate the presence of micro-organisms. While most people think of molecules such as amino acids, and nucleo-bases as good candidate biomarkers, these molecules are produced non-biotically in space and are expected to be present on the surface of other planets even in the absence of Life. Understanding the range of non-biological organic molecules which could act as false biomarkers in space is a prerequisite for any reasonable search for Life on other worlds.

Bernstein, Max↗

DOE OSTI2023

Manufacturability Advancement of Low-Temperature Titanium Electroplating Methods

Three tasks were proposed for this work. All three were completed. The tasks were as follows: Task 1: A larger plating system will be purchased for process scale-up. TiF 3 will be tested as the metal precursor in an effort to reduce water sensitivity of the process. Task 2: Ti on steel samples will be created at PNNL and shipped to Atlas Technologies. Atlas Technologies will diffusion bond the samples to aluminum and test the bond strength. The results will be reported to PNNL. Task 3: Investigation into DOE mission relevant Ti and Zr alloys and demonstration on larger scale work pieces.

36 MATERIALS SCIENCE↗

DOE OSTI2016

FY16 ASME High Temperature Code Activities

One of the objectives of the ASME high temperature Code activities is to develop and validate both improvements and the basic features of Section III, Division 5, Subsection HB, Subpart B (HBB). The overall scope of this task is to develop a computer program to be used to assess whether or not a specific component under specified loading conditions will satisfy the elevated temperature design requirements for Class A components in Section III, Division 5, Subsection HB, Subpart B (HBB). There are many features and alternative paths of varying complexity in HBB. The initial focus of this task is a basic path through the various options for a single reference material, 316H stainless steel. However, the program will be structured for eventual incorporation all the features and permitted materials of HBB. Since this task has recently been initiated, this report focuses on the description of the initial path forward and an overall description of the approach to computer program development.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Representations of Materials for Machine Learning

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning the relations between composition, structure, and properties and by exploiting such relations for design. However, to build these connections, materials data must be translated into a numerical form, called a representation, that can be processed by an ML model. Data sets in materials science vary in format (ranging from images to spectra), size, and fidelity. Predictive models vary in scope and properties of interest. Here, we review context-dependent strategies for constructing representations that enable the use of materials as inputs or outputs for ML models. Furthermore, we discuss how modern ML techniques can learn representations from data and transfer chemical and physical information between tasks. Finally, we outline high-impact questions that have not been fully resolved and thus require further investigation.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Hanford Double Shell Waste Tank Corrosion Studies - Final Report FY2015

During FY15, SRNL performed corrosion testing that supported Washington River Protection Solutions (WRPS) with their double shell tank (DST) integrity program. The testing investigated six concerns including, 1) the possibility of corrosion of the exterior of the secondary tank wall; 2) the effect of ammonia on vapor space corrosion (VSC) above waste simulants; 3) the determination of the minimum required nitrite and hydroxide concentrations that prevent pitting in concentrated nitrate solutions (i.e., waste buffering); 4) the susceptibility to liquid air interface (LAI) corrosion at proposed stress corrosion cracking (SCC) inhibitor concentrations; 5) the susceptibility of carbon steel to pitting in dilute solutions that contain significant quantities of chloride and sulfate; and 6) the effect of different heats of A537 carbon steel on the corrosion response. For task 1, 2, and 4, the effect of heat treating and/ or welding of the materials was also investigated.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

HMPT: Introduction: Live #27916, Test 27917

This course, HMPT: Introduction Live 27916, addresses the Department of Transportation’s (DOT’s) general awareness, transportation security awareness, and safety training requirements for Los Alamos National Laboratory (LANL) in the Hazardous Materials Packaging and Transportation (HMPT) training. Although the course itself is suggested to be taken one time only, the accompanying test (27917) is required initially and then every 36 months. This course is intended to help you learn how to navigate the regulations found in 49 Code of Federal Regulations (CFR), Parts 107–178, Transportation. These regulations change frequently, and it is your responsibility to keep up to date with these changes. This course will give you tools to perform your hazardous materials (HAZMAT) tasks according to the most current regulations.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2016

Energy Frontier Research Centers: Science for Our Nation's Energy Future, September 2016

As world demand for energy rapidly expands, transforming the way energy is collected, stored, and used has become a defining challenge of the 21st century. At its heart, this challenge is a scientific one, inspiring the U.S. Department of Energy’s (DOE) Office of Basic Energy Sciences (BES) to establish the Energy Frontier Research Center (EFRC) program in 2009. The EFRCs represent a unique approach, bringing together creative, multidisciplinary scientific teams to perform energy-relevant basic research with a complexity beyond the scope of single-investigator projects. These centers take full advantage of powerful new tools for characterizing, understanding, modeling, and manipulating matter from atomic to macroscopic length scales. They also train the next-generation scientific workforce by attracting talented students and postdoctoral researchers interested in energy science. The EFRCs have collectively demonstrated the potential to substantially advance the scientific understanding underpinning transformational energy technologies. Both a BES Committee of Visitors and a Secretary of Energy Advisory Board Task Force have found the EFRC program to be highly successful in meeting its goals. The scientific output from the EFRCs is impressive, and many centers have reported that their results are already impacting both technology research and industry. This report on the EFRC program includes selected highlights from the initial 46 EFRCs and the current 36 EFRCs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Tunable Electrochemical Pathway for High-Purity REMs and CMs

This report details a comprehensive research initiative focused on developing a technical research plan for the efficient and sustainable production of rare earth elements (REEs) and critical materials (CMs) from coal-based resources, specifically lignite coal from the Williston Basin in North Dakota. The project’s methodology centers on the design and evaluation of a tunable electrochemical pathway (TEP), an innovative approach aimed at achieving high-purity rare earth oxides (REOs), rare earth salts (RES), and CMs. This research is crucial for addressing the growing demand for these materials in clean energy technologies, electric vehicles, and high-tech applications, while reducing the United States’ reliance on foreign supply chains. The project was structured into four key tasks, each designed to build upon the previous one and contribute to the overarching goal of developing a viable technical research plan.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2026

Separation of Lithium and Magnesium from Brines Using Zwitterionic Simulated Moving Beds: Cooperative Research and Development (Final Report)

The purpose of this work was to separate lithium and magnesium from lithium-containing brines by applying a zwitterionic simulated moving bed (zSMB) system that NLR developed. This work was needed to validate lithium and magnesium separation for future development at scale. Below is a summary of the tasks outlined in the Statement of Work and the results that were generated.

36 MATERIALS SCIENCE↗

NASA NTRS1996

The Effects of Promethazine on Human Performance, Mood States, and Motion Sickness Tolerance

Intramuscular (IM) injections of promethazine in 25 mg or 50 mg dosages are commonly used to treat space motion sickness in astronauts. The present study examined the effects of IM injections of promethazine on neuropsy-chological performance, mood states, and motion sickness tolerance in humans. Twelve men, mean age 36 plus or minus 3.1 participated in one training (no injections) and three treatment conditions: a 25 mg injection of promethazine, a 50 mg injection of promethazine, and a placebo injection of sterile saline. Each condition, spaced at 7 day intervals, required an 8-10 hr session in which subjects were given four repetitions of 12 performance tasks, and one rotating chair motion sickness test. On the training day subjects were trained on each task to establish stability and proficiency. On treatment days, the order in which the drug or placebo was assigned to subjects was counter-balanced and a double-blind technique was used. Statistically significant decrements in performance were observed on 10 of 12 tasks when subjects were given 25 mg or 50 mg of promethazine as compared to the placebo. Performance decrements were associated with mean blood alcohol dose equivalency levels of 0.085% for 25 mg and 0. 1 37% for 50 mg dosages. The mood scale results showed significant changes in individual subjective experiences with maximum deterioration in the arousal state and fatigue level. When compared to placebo significant increases in motion sickness tolerance were found for both dosages of promethazine. These data suggest that effective dosages of promethazine currently used to counteract motion sickness in astronauts may significantly impair task components of their operational performance.

Cowings, Patricia S.↗

DOE OSTI2015

Boiler materials for ultra supercritical coal power plants

The U.S. Department of Energy (DOE) and the Ohio Coal Development Office (OCDO) have undertaken a project aimed at identifying, evaluating, and qualifying the materials needed for the construction of the critical components of coal-fired boilers capable of operating at much higher efficiencies than current generation of supercritical plants. This increased efficiency is expected to be achieved principally through the use of advanced ultrasupercritical (A-USC) steam conditions up to 760°C (1400°F) and 35 MPa (5000 psi). A limiting factor to achieving these higher temperatures and pressures for future A-USC plants are the materials of construction. The goal of this project is to assess/develop materials technology to build and operate an A-USC boiler capable of delivering steam with conditions up to 760°C (1400°F)/35 MPa (5000 psi). The project has successfully met this goal through a focused long-term public-private consortium partnership. The project was based on an R&D plan developed by the Electric Power Research Institute (EPRI) and an industry consortium that supplemented the recommendations of several DOE workshops on the subject of advanced materials. In view of the variety of skills and expertise required for the successful completion of the proposed work, a consortium led by the Energy Industries of Ohio (EIO) with cost-sharing participation of all the major domestic boiler manufacturers, ALSTOM Power (Alstom), Babcock and Wilcox Power Generation Group, Inc. (B&W), Foster Wheeler (FW), and Riley Power, Inc. (Riley), technical management by EPRI and research conducted by Oak Ridge National Laboratory (ORNL) has been developed. The project has clearly identified and tested materials that can withstand 760°C (1400°F) steam conditions and can also make a 700°C (1300°F) plant more economically attractive. In this project, the maximum temperature capabilities of these and other available high-temperature alloys have been assessed to provide a basis for materials selection and application under a range of conditions prevailing in the boiler. A major effort involving eight tasks was completed in Phase 1. In a subsequent Phase 2 extension, the earlier defined tasks were extended to finish and enhance the Phase 1 activities. This extension included efforts in improved weld/weldment performance, development of longer-term material property databases, additional field (in-plant) corrosion testing, improved understanding of long-term oxidation kinetics and exfoliation, cyclic operation, and fabrication methods for waterwalls. In addition, preliminary work was undertaken to model an oxyfuel boiler to define local environments expected to occur and to study corrosion behavior of alloys under these conditions. This final technical report provides a comprehensive summary of all the work undertaken by the consortium and the research findings from all eight (8) technical tasks including A-USC boiler design and economics (Task 1), long-term materials properties (Task 2), steam- side oxidation (Task 3), Fireside Corrosion (Task 4), Welding (Task 5), Fabricability (Task 6), Coatings (Task 7), and Design Data and Rules (Task 8).

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2017

Novel Dissimilar Joints Between Alloy 800H and 2.25%Cr and 1%Mo Steel

Dissimilar metal joints between ferritic steels and nickel base alloys are currently fabricated using conventional arc welding processes with selected filler metal combinations. The dissimilar metal joints contain abrupt changes in composition over a relatively small distance. Many years of service at elevated temperatures has shown that these welds are susceptible to creep and creep fatigue failures. The primary mechanism for these creep failures involves carbon diffusion from the ferritic steel to the nickel base alloy. As a result, a carbon depleted zone is created that contains very few stable carbides. This work used additive manufacturing (AM) technologies as a highly controllable means for reducing carbon migration through theoretically designed, compositionally graded transition joints guided by appropriate thermodynamic, kinetic and heat transfer and fluid flow modeling. The contents of the report include the objectives and tasks set forth by the PI and collaborators, major technical accomplishments throughout the research and additional details in the form of technical publications resulting from the NEUP grant and reports from the collaborating university and national laboratory.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Degradation Studies of Silicone Rubbers in Direct Contact with Corrosive Solids Under Compression

Silicone elastomers are polymer materials widely used within the complex, serving as cushions, adhesives, binders, and potting compounds. Excellent high-temperature resistance combined with low-temperature flexibility, high resistance to chemicals and long-term age-related stability, make silicones first-choice materials in many application areas. However, the siloxane bonds comprising the backbone of silicone elastomers are susceptible to hydrolysis when catalytic amounts of acid or base are present. Hydrolysis is a form of degradation that results in chain-cleavage and rearrangement reactions, which can manifest in changes to the physical response and mechanical properties of the elastomer. This task aims to assess and quantify the extent of degradation and/or corrosion of silicone elastomer materials when placed in direct compressive contact with an Arrhenius base under varying environments (oxidative/nonoxidative, relative humidity, temperature, time, etc.).

36 MATERIALS SCIENCE↗