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DOE OSTI2017

Structural responses of metallic glasses under neutron irradiation

Seeking nuclear materials that possess a high resistance to particle irradiation damage is a long-standing issue. Permanent defects, induced by irradiation, are primary structural changes, the accumulation of which will lead to structural damage and performance degradation in crystalline materials served in nuclear plants. In this work, structural responses of neutron irradiation in metallic glasses (MGs) have been investigated by making a series of experimental measurements, coupled with simulations in ZrCu amorphous alloys. It is found that, compared with crystalline alloys, MGs have some specific structural responses to neutron irradiation. Although neutron irradiation can induce transient vacancy-like defects in MGs, they are fully annihilated after structural relaxation by rearrangement of free volumes. In addition, the rearrangement of free volumes depends strongly on constituent elements. In particular, the change in free volumes occurs around the Zr atoms, rather than the Cu centers. This implies that there is a feasible strategy for identifying glassy materials with high structural stability against neutron irradiation by tailoring the microstructures, the systems, or the compositions in alloys. Furthermore, this work will shed light on the development of materials with high irradiation resistance.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Theory of magnon polaritons in quantum Ising materials

Here, we present a theory of magnon-polaritons in quantum Ising materials, and develop a formalism describing the coupling between light and matter as an Ising system is tuned through its quantum critical point. The theory is applied to Ising materials having multilevel single-site Hamiltonians, in which multiple magnon modes are present, such as the insulating Ising magnet LiHoF 4 . We find that the magnon-photon coupling strengths may be tuned by the applied transverse field, with the coupling between the soft mode present in the quantum Ising material and a photonic resonator mode diverging at the quantum critical point of the material. A fixed system of spins will not exhibit the diamagnetic response expected when light is coupled to mobile spins or atoms. Without the diamagnetic response, one expects a divergent magnon-photon coupling strength to lead to a superradiant quantum phase transition. However, this neglects the effects of damping and decoherence present in any real system. We show that damping and decoherence may block the superradiant quantum phase transition, and lead to weak coupling between the soft magnon mode and the resonator mode. The results of the theory are applied to experimental data on the model system LiHoF 4 in a microwave resonator.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

Emerging Soluble Organic Redox Materials for Next-Generation Grid Energy-Storage Applications

Soluble organic redox molecules have emerged as promising candidate active materials for multiple energy storage systems due to their structural versatility, fast redox process, high capacity storage, sustainability, and environmental friendliness. This review examines recent progress in developing such materials in green and sustainable batteries for grid applications and points out directions for future research.

Zhan, Xiaowen↗

NASA NTRS1978

Development and fabrication of an advanced liquid cooling garment

A tube/fin concept liquid cooling garment head cooler was developed, fabricated and delivered to NASA-ARC. The head cooler was fabricated from polyurethane film which sandwiches the transport fluid tubing and a thermally conductive fin material. The head cooler garment is sewn to form a skull cap and covered with a comfort liner. In addition, two Neonate heating garments were fabricated and supplied to NASA for further finishing and use in medical tests. The resulting garment is flexible, elastic and conforms to the head comfortably. Tests on a tube/fin element of identical construction as the head cooler demonstrated good thermal effectiveness. Use of commercially available materials and development of relatively simple fabrication techniques give the potential for a low garment cost.

Hixon, C. W.↗

DOE OSTI2022

Development of self-sensing materials for extreme environments based on metamaterial concept and additive manufacturing

Structural health monitoring of an engineered component in a harsh environment is critical for multiple DOE missions including nuclear fuel cycle, subsurface energy production/storage, and energy conversion. Supported by a seeding Laboratory Directed Research & Development (LDRD) project, we have explored a new concept for structural health monitoring by introducing a self-sensing capability into structural components. The concept is based on two recent technological advances: metamaterials and additive manufacturing. A self-sensing capability can be engineered by embedding a metastructure, for example, a sheet of electromagnetic resonators, either metallic or dielectric, into a material component. This embedment can now be realized using 3-D printing. The precise geometry of the embedded metastructure determines how the material interacts with an incident electromagnetic wave. Any change in the structure of the material (e.g., straining, degradation, etc.) would inevitably perturbate the embedded metastructures or metasurface array and therefore alter the electromagnetic response of the material, thus resulting in a frequency shift of a reflection spectrum that can be detected passively and remotely. This new sensing approach eliminates complicated environmental shielding, in-situ power supply, and wire routing that are generally required by the existing active-circuit-based sensors. The work documented in this report has preliminarily demonstrated the feasibility of the proposed concept. The work has established the needed simulation tools and experimental capabilities for future studies.

36 MATERIALS SCIENCE↗

NASA NTRS1986

Improved piston ring materials for 650 deg C service

A program to develop piston ring material systems which will operate at 650C was performed. In this program, two candidate high temperature piston ring substrate materials, Carpenter 709-2 and 440B, were hot formed into the piston ring shape and subsequently evaluated. In a parallel development effort ceramic and metallic piston ring coating materials were applied to cast iron rings by various processing techniques and then subjected to thermal shock and wear evaluation. Finally, promising candidate coatings were applied to the most thermally stable hot formed substrate. The results of evaluation tests of the hot formed substrate show that Carpenter 709-2 has greater thermal stability than 440B. Of the candidate coatings, plasma transferred arc (PTA) applied tungsten carbide and molybdenum based systems exhibit the greatest resistance to thermal shock. For the ceramic based systems, thermal shock resistance was improved by bond coat grading. Wear testing was conducted to 650C (1202F). For ceramic systems, the alumina/titania/zirconia/yttria composition showed highest wear resistance. For the PTA applied systems, the tungsten carbide based system showed highest wear resistance.

Bjorndahl, W. D.↗

DOE OSTI2018

Iodobutane Deep Bed Adsorption Test Report

The Department of Energy (DOE) Nuclear Technology Research and Development (NTRD) Program Material Recovery and Waste Form Development (MRWFD) Campaign Off-gas Sigma Team has supported research and development on iodine control and iodine waste forms for the past several years. As a part of this on-going research, two deep-bed iodobutane adsorption tests have been performed with higher NO x levels. High (>1,000) iodine decontamination factors (DFs, the ratios of the inlet iodine concentrations divided by the outlet iodine concentrations, when the gas flowrate is constant) were achieved with both the silver aerogel and silver zeolite sorbents. The iodine adsorption mass transfer zone (the depth of the sorbent bed in which adsorption is occurring at any specific time) for these tests was estimated at 4 inches for both sorbents under the test conditions. Silver utilization for silver aerogel sorbent reached 41% (up to 12 g adsorbed iodine per 100 g silver aerogel sorbent), while silver utilization reached 43% (up to 6.8 g adsorbed iodine per 100 g silver zeolite sorbent). These values are generally consistent with results for prior methyl iodide adsorption tests. The results also indicate that, during iodine adsorption process, the organic iodide molecule decomposes so that the iodine can be adsorbed. Even when sorbent breakthrough is reached, the organic iodide molecule continues to decompose; and the unadsorbed iodine that passes through bed is no longer in the form of the original organic iodide; but in the form of iodine compounds that are soluble in NaOH solutions, such as HI or I 2 . This research and development has included iodine adsorption tests using a laboratory-scale test system containing segmented fixed beds of iodine adsorbents in series. Non-radioactive synthetic gas mixtures were blended from air, nitrogen, NO, NO 2 , water, and the target iodine compounds to represent dissolver off-gas (DOG) streams from used nuclear fuel aqueous reprocessing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

3D strain field reconstruction by inversion of dynamical scattering

Strain governs not only the mechanical response of materials but also their electronic, optical, and catalytic properties. For this reason, the measurement of the 3D strain field is crucial for a detailed understanding and for further development of material properties through strain engineering. However, measuring strain variations along the electron beam direction has remained a major challenge for (scanning-) transmission electron microscopy (S/TEM). In this article, we present a method for 3D strain field determination using 4D-STEM. The method is based on the inversion of dynamical diffraction effects, which occur at strain field variations along the beam direction. We test the method against simulated data with a known ground truth and demonstrate its application to an experimental 4D-STEM dataset from an inclined pseudomorphically grown Al0.47Ga0.53N layer.

Niermann, Laura↗

NASA NTRS2005

Microfabricated Chemical Gas Sensors and Sensor Arrays for Aerospace Applications

Aerospace applications require the development of chemical sensors with capabilities beyond those of commercially available sensors. In particular, factors such as minimal sensor size, weight, and power consumption are particularly important. Development areas which have potential aerospace applications include launch vehicle leak detection, engine health monitoring, and fire detection. Sensor development for these applications is based on progress in three types of technology: 1) Micromachining and microfabrication (Microsystem) technology to fabricate miniaturized sensors; 2) The use of nanocrystalline materials to develop sensors with improved stability combined with higher sensitivity; 3) The development of high temperature semiconductors, especially silicon carbide. This presentation discusses the needs of space applications as well as the point-contact sensor technology and sensor arrays being developed to address these needs. Sensors to measure hydrogen, hydrocarbons, nitrogen oxides (NO,), carbon monoxide, oxygen, and carbon dioxide are being developed as well as arrays for leak, fire, and emissions detection. Demonstrations of the technology will also be discussed. It is concluded that microfabricated sensor technology has significant potential for use in a range of aerospace applications.

Hunter, Gary W.↗

NASA NTRS2002

Development of Microfabricated Chemical Gas Sensors and Sensor Arrays for Aerospace Applications

Aerospace applications require the development of chemical sensors with capabilities beyond those of commercially available sensors. In particular, factors such as minimal sensor size, weight, and power consumption are particularly important. Development areas which have potential aerospace applications include launch vehicle leak detection, engine health monitoring, fire detection, and environmental monitoring. Sensor development for these applications is based on progress in three types of technology: 1) Micromachining and microfabrication (Microsystem) technology to fabricate miniaturized sensors. 2) The use of nanocrystalline materials to develop sensors with improved stability combined with higher sensitivity. 3) The development of high temperature semiconductors, especially silicon carbide. However, due to issues of selectivity and cross-sensitivity, individual sensors are limited in the amount of information that they can provide in environments that contain multiple chemical species. Thus, sensor arrays are being developed to address detection needs in such multi-species environments. This paper discusses the needs of space applications as well as the point-contact sensor technology and sensor arrays being developed to address these needs. Sensors to measure hydrogen, hydrocarbons, hydrazine, nitrogen oxides (NO,), carbon monoxide, oxygen, and carbon dioxide are being developed as well as arrays for leak, fire, and emissions detection. Demonstrations of the technology will also be discussed. It is concluded that microfabricated sensor technology has significant potential for use in a range of aerospace applications.

Hunter, G. W.↗

NASA NTRS2019

Development of Lyocell Based Phenolic Impregnated Carbon Ablators (PICA-D) for Future NASA Missions

Phenolic Impregnated Carbon Ablator (PICA) is a low-density ablator that has been used as the planetary entry heatshield for several NASA missions since 1999. Due to the obsolescence of the input fiber source, new PICA materials were developed using Lyocell, a domestic rayon fiber source. Results are presented from this effort. Manufacturing included fiber conversion, fabrication of tile component and near net shaped heatshield preforms, and conversion to PICA materials. Thermal, mechanical, and representative environment arc-jet testing have been conducted. Initial testing indicates comparable performance with respect to heritage PICA material, and likely "drop-in" replacement for future NASA mission needs.

Thermal Protection↗

NASA NTRS2019

Development of Lyocell Based Phenolic Impregnated Carbon Ablator (PICA-D) for Future NASA Missions

thermal protection↗

DOE OSTI2020

FY20 Status Report on Photothermal Radiometry Development

This report documents FY20 progress in the development of a benchtop photothermal radiometry (PTR) instrument for the measurement of thermal diffusivity. A PTR system incorporating Off-Axis Parabolic (OAP) mirrors was designed and tested. Additionally, a novel analysis technique that accounts for systematic errors that affect measurement accuracy was implemented. Measurements on samples with a range of thermal diffusivities using the PTR setup along with the new analysis technique resulted in improved accuracy and repeatability. Areas for future development work are set forth.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRSDate not supplied

Materials for Power Transmission in Extreme Environments

NASA’s goal for a sustained human presence on the Moon and a future Lunar economy requires the development of novel power transmission materials for extreme environments. As an increasing number of public and private entities set their sights towards a future on the Moon, the demand for surface power will dramatically increase – potentially up to megawatt levels. A Lunar economy is envisioned to include a human habitat, manned and unmanned science exploration assets, excavation rovers and systems, and large-scale infrastructure construction such as solar arrays and power grids. A NASA trade study estimated that 1 to 3 km of power transmission lines (1 to 3 KV ac and dc) will be needed over time. Current high power and voltage SOA cables/wire can easily exceed 1 kg/m where mass is not as critical. Connectors, deployment spools and robots further increase the subsystem mass significantly increasing costs. On the other hand, advances in aeronautics provides path towards space missions. The operating environment on the Moon presents substantial risk to safe and reliable power transmission due to space weathering and degradation. These challenges include cosmic and UV radiation, extreme temperatures swings, the electrostatic Lunar exosphere, and the electrostatic and abrasive lunar regolith. The critical need for lightweight, safe and reliable power cables/wires materials is evident. In this presentation, the extreme high altitude and lunar environments and recent materials development from NASA Glenn Research Center’s High Voltage Materials team towards meeting NASA’s objectives and goals for aeronautics and space missions.

Cu/CNT conductors↗

NASA NTRS2015

Final Report on the Detection of Green Monopropellants

In 2014, National Aeronautics and Space Administration (NASA) Kennedy Space Center (KSC) funded a project titled "Familiarization and Detection of Green Monopropellants" utilizing Independent Research and Technology Development (IR&TD) and Center Innovation Fund (CIF) funding. The purpose of the project was to evaluate methods of detection for ammonium dinitramide (ADN) and hydroxylammonium nitrate (HAN). An Engineering Services Contract (ESC) task order was created with the scope of evaluation of several methods of detecting ADN- and HAN-based propellants, as well as development of methods for detection. Detection methods include developed methods such as colorimetric indicating absorbent socks, and commercial-off-the- shelf (COTS) units for ammonia detection. An additional goal of the task order was for ESC to become familiar with ADN's and HAN's material properties and material compatibility. Two approaches were initially investigated as possible methods for the detection of HAN (or AFM315E) and ADN (or LMP-103S). These approaches were colorimetric analysis and instrumentation-based COTS vapor sensors utilization. Initial testing showed that the relatively non-existent vapor pressure of the AF-M315E (of which HAN is a major component) propellant would make the use of COTS sensors difficult for real-time area monitoring of HAN; a small response was detected through the use of active COTS sensors, including the RAE Systems MultiRAE Lite and Drager X-act (registered) 5000, but the levels detected were below the threshold limit value for the toxic gas ammonia. Therefore, a detection system ased upon a colorimetric indicator impregnated into an absorbent material was developed. Preliminary analysis (ESC-245-FDG-001) identified a particularly outstanding candidate as a colorimetric indicator for the detection of the presence of AF-M315E in the form of a Methyl Red (Basic) indicator. Materials impregnated with this indicator exhibit significant color change and the materials are not susceptible to interference from exposure to water or carbon dioxide. The completed detection system for HAN/AF-M315E consists of absorbent socks packed with Fisher Universal Spill Absorbent capable of absorbing and containing any propellant spills that they come into contact with along with indicating wipes. The absorbent socks are also chemically treated with a Methyl Red (Basic) indicator solution to provide the end user with a visual indication that a leak has occurred and proper protective precautions must be undertaken. An added benefit of this detection system is that the absorbent socks should neutralize/absorb any commodity that it comes into contact with (until saturation is reached). Additional adsorbent socks can be deployed until a color change is not seen, indicating that the HAN/AF-M315E contamination has been contained. The indicating wipes provide the user the opportunity to wipe surfaces to determine if there is any HAN/AF-M315E or HAN/AFM315E residue present. The wipes should allow the detection of fuel levels that may be too small to detect with the absorbent socks. The development of a detection system for the ADN/LMP-103S focused on the use of various COTS sensors used as real-time area monitoring devices and personal dosimeters. These COTS based sensor systems were of several different types, including both actively pumped and diffusion-based passive systems, as well as a "rope"-type chemical sensing cable. The results highlighted some of the major differences between the two monopropellants undergoing evaluation. Unlike HAN, ADN (which is the major constituent of LMP-103S) exhibits a much more volatile nature in comparison to AF-M315E. In fact, testing showed that a large percentage of the fuel was lost during the sampling measurement (greater than 10 percent by mass); although this testing cannot tell if the volatile component is the ADN itself or another component of the monopropellant solution. Not surprisingly, all four of the procured vapor-based COTS sensors showed positive results when exposed to solutions of the LMP-103S (ESC-245-FDG-002). The completed detection system for ADN/LMP-103S consists of a combination of two of the tested COTS sensor systems, the RAE Systems MultiRAE Lite and the BW Technologies GasAlert Extreme. These systems are meant to be used in conjunction with one another, which allows for the end-user to have both real-time area monitoring (MultiRAE Lite) as well as a personal dosimeter device (GasAlert Extreme) which can be worn as additional personal protective equipment. An stainless steel extension wand was fabricated and included in the detection system for the MultiRAE Lite to allow for more remote sensing, and connects via the active pumping inlet of the sensor. As stated, the final results of this testing resulted in the production of two "kits" which can be used for the detection of HAN/AF-M315E and ADN/LMP-103s (ESC-245-FDG-003).

Detection↗

NASA NTRS2021

Atoms to Aircraft to Spacecraft

The next generation of aerospace systems requires materials and structures that combine high performance at high utilization in short missions with the possibility of high rate production, without excessive non-recurring cost, to allow for rate flexibility and shorter structural life cycles. The development of materials and structures that offer this flexibility in rate without negatively influencing performance and economic viability will require a matching and overlapping experimental and computational design approach. The objective is to go from Atom to Airframe to Spaceframe for thermoplastic unidirectional tape based fastener-free assemblies. Thermoplastic composites are chosen as the focus because these materials allow for reversible fusion bonding in every stage of their life cycle after synthesis. Our strategy is to combine multi-scale computational approaches with multi-scale experimental activities to develop an understanding of and capabilities to manufacture custom unidirectional thermoplastic tape. This tape will be the basis for our high-rate multiple-technology manufacturing approach validated by the production of two representative demonstrators for urban air mobility vehicle structures. The multi-disciplinary team will work in an integrated manner to effectively combine computational approaches with experimental approaches at each stage of characteristic manufacturing flows. The team aims for tools and technology to quantify the thermo-rheological aspects of unidirectional tape-based production and assembly of aerospace quality thermoplastic components as well as for validated tools for unidirectional tape-based thermoplastic preform and part design and manufacture. The work will be used to design and build two demonstration structural parts characteristic for urban air mobility vehicles.

Paul Ziehl↗

NASA NTRS1990

Expert systems for superalloy studies

There are many areas in science and engineering which require knowledge of an extremely complex foundation of experimental results in order to design methodologies for developing new materials or products. Superalloys are an area which fit well into this discussion in the sense that they are complex combinations of elements which exhibit certain characteristics. Obviously the use of superalloys in high performance, high temperature systems such as the Space Shuttle Main Engine is of interest to NASA. The superalloy manufacturing process is complex and the implementation of an expert system within the design process requires some thought as to how and where it should be implemented. A major motivation is to develop a methodology to assist metallurgists in the design of superalloy materials using current expert systems technology. Hydrogen embrittlement is disasterous to rocket engines and the heuristics can be very complex. Attacking this problem as one module in the overall design process represents a significant step forward. In order to describe the objectives of the first phase implementation, the expert system was designated Hydrogen Environment Embrittlement Expert System (HEEES).

Workman, Gary L.↗

DOE OSTI2017

Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization

Structure–property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors, as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells) of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal close packed-like environments. Here, we showcase the usefulness of local order parameters to identify these basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP) database (61,422 compounds) for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT) facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO 2 -spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.

36 MATERIALS SCIENCE↗