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Particle Impact Simulation and Ignition Prediction

An experimentally calibrated tool is needed to predict if a system is susceptible to failure by particle impact ignition (PI) based on use conditions, materials, and flow geometry. This tool will accelerate new components, evaluating existing hardware, and help disposition anomalies. Conduct particle impact testing with in-situ diagnostics and complementary simulations on subset of key engineering materials (IN718, M400, 316L, 6061, Ti64, Zr) to develop a proof-of-concept predictive tool for assessing the risk of PI for idealized geometries (spherical particles) in realistic environments. Assess particle/target interactions (coefficient of restitution, ignition, kindling) using instrumented particle impact rigs while systematically varying key parameters (materials, particle size, environment, target configuration). Determine key field variables (temperature, strain, stress) in particle impacts using Multiphysics finite element and hydrocode simulations validated through comparison with experimental measurements and observations. Synthesize experiments and simulations into constitutive models for PI that can be integrated with existing computational fluid dynamics (CFD) and Debris Transport Analysis (DTA) tools in future efforts

particle impact↗

NASA NTRS2024

Particle Impact Simulation and Ignition Prediction

An experimentally calibrated tool is needed to predict if a system is susceptible to failure by particle impact ignition (PI) based on use conditions, materials, and flow geometry. This tool will accelerate new components, evaluating existing hardware, and help disposition anomalies. - Conduct particle impact testing with in-situ diagnostics and complementary simulations on subset of key engineering materials (IN718, M400, 316L, 6061, Ti64, Zr) to develop a proof-of-concept predictive tool for assessing the risk of PI for idealized geometries (spherical particles) in realistic environments. - Assess particle/target interactions (coefficient of restitution, ignition, kindling) using instrumented particle impact rigs while systematically varying key parameters (materials, particle size, environment, target configuration). - Determine key field variables (temperature, strain, stress) in particle impacts using Multiphysics finite element and hydrocode simulations validated through comparison with experimental measurements and observations. - Synthesize experiments and simulations into constitutive models for PI that can be integrated with existing computational fluid dynamics (CFD) and Debris Transport Analysis (DTA) tools in future efforts.

Jonathan Tylka↗

DOE OSTI2022

Cross-Cutting Metrology Tools for In Operando Characterization of Carrier Dynamics in Photovoltaic Devices (Final Technical Report)

Understanding the nature of recombination and its dependence on defects and interfaces is essential for engineering materials and contacts for higher V oc and photovoltaic (PV) efficiency. Time-resolved photoluminescence (TRPL) has conventionally been used to evaluate recombination, but not all materials are strongly emissive or otherwise suitable. Time-resolved terahertz spectroscopy is a pump – probe method that presents valuable complementary information, wherein an optical pump pulse photoexcites carriers within the absorber and the transient photoconductivity is probed with a terahertz pulse. Until now, experimental constraints have prohibited the use of terahertz probes to interrogate full device stacks, and measurements were instead made on exfoliated films or films grown on unconventional substrates. However, interfaces are critical to the behavior of photoexcited carriers in solar cells, and the substrates themselves often influence the film growth and bulk properties. Therefore, it is important to probe the behavior of PV absorbers as close as possible to their normal operating conditions. Here we have developed cross-cutting metrology that enable in operando characterization of carrier dynamics and recombination mechanisms in working PV devices. Through a combination of complementary non-contact TRTS and TRPL experiments and modeling, we have obtained key parameters including photoexcited carrier bulk lifetime and interface and back surface recombination velocities with greater precision and accuracy than can be achieved with conventional TRPL alone. By varying pulsed photoexcitation conditions, the contributions of interface and bulk recombination mechanisms can be determined. We have developed and refined this characterization approach by investigating CdTe PVs, which is a well-established technology but with significant margin for further improvements in efficiency. Results were published in Journal of Applied Physics (DOI: 10.1063/5.0064730) and Proceedings of the IEEE PVSC (DOI: 10.1109/PVSC43889.2021.9518559). After validating the approach, we have applied it to correlate recombination rates to processing conditions and material properties, including composition and defects as well as interfaces and surface treatments. Such feedback can inform processing and design choices to enable higher PV efficiency, not only for CdTe, but also CdSe x Te 1-x , CIGS, perovskites, kesterites, and future technologies. A perspective on predicting solar cell performance from terahertz spectroscopy was published in Advanced Energy Materials (DOI: 10.1002/aenm.202102776). The cross-cutting metrology tools developed here will enable determination of the locus and mechanism of performance-limiting recombination in thin film PV devices. This feedback can guide the engineering of PV devices with higher V oc and efficiency, thereby leading to reductions in levelized cost of electricity to meet the SunShot 2030 target of $0.03/kWh for utility-scale PV. Lower costs will enable rapid expansion of renewable electricity generation that is nearly free of carbon emissions. Reducing carbon emissions of the electricity sector is one of the most important solutions to climate change. The project’s specific focus on CdTe PV can benefit First Solar, the US company that is the global leader in CdTe technology, through both technology and workforce development.

14 SOLAR ENERGY↗

DOE OSTI2020

Hierarchical Defect Engineering for LiCoO 2 through Low-Solubility Trace Element Doping

Real-world industry-relevant battery composite electrodes are hierarchically structured. Their structural and chemical complexity is featured by ubiquitous multi-scale porosity and cracks, solid-solid and solid-liquid interfaces, compositional and redox heterogeneity, as well as lattice disordering and deformation. In particular for the active cathode particles, which are the fundamental building blocks for the energy reservoir, it is a consensus that these structural and chemical defects could have a profound impact on the battery performance. An in-depth understanding of the underlying mechanisms could critically inform the cathode material engineering, which would have a tremendous potential but remains a daunting challenge at present. In this work, we tackle this question by studying LiCoO 2 (LCO) with trace doping of Ti, which exhibits a low solubility in the LCO layered lattice. Additionally, we observed the spontaneous and heterogeneous segregation of the dopant (Ti) across a wide range of length scales. In addition to the modification of the particle surface and the buried grain boundaries within the particle, we reveal that the Ti doping has induced a significant amount of lattice distortions, which, in turn, promotes the robustness of the LCO lattice at high state of charge (above 4.5V). Our result formulates a multi-scale defect engineering strategy that could be applicable to the synthesis of a broad range of energy materials for applications in batteries and beyond.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Composite materials for the extravehicular mobility unit

The extravehicular mobility unit (EMU), commonly known as the astronaut space suit assembly (SSA) and primary life support system (PLSS), has evolved through the years to incorporate new and innovative materials in order to meet the demands of the space environment. The space shuttle program which is seeing an increasing level of extravehicular activity (EVA), also called space walks, along with interest in an EMU for Lunar-Mars missions means even more demanding conditions are being placed on the suit and PLSS. The project for this NASA-ASEE Summer Program was to investigate new materials for these applications. The focus was to emphasize the use of composite materials for every component of the EMU to enhance the properties while reducing the total weight of the EMU. To accomplish this, development of new materials called fullerene reinforced materials (FRM's) was initiated. Fullerenes are carbon molecules which when added to a material significantly reduce the weight of that material. The Faculty Fellow worked directly on the development of the fullerene reinforced materials. A chamber for fullerene production was designed and assembled and first generation samples were processed. He also supervised with the JSC Colleague, a study of composite materials for the EMU conducted by the student participant in the NASA-ASEE Program, Hector Tello a Rice University graduate student, and by a NASA Aerospace Technologist (Materials Engineer) Evelyne Orndoff, in the Systems Engineering Analysis Office (EC7), also a Rice University graduate student. Hector Tello conducted a study on beryllium and Be alloys and initiated a study of carbon and glass reinforced composites for space applications. Evelyne Orndoff compiled an inventory of the materials on the SSA. Ms. Orndoff also reviewed SSA material requirements and cited aspects of the SSA design where composite materials might be further considered. Hector Tello spent part of his time investigating the solar radiation sensitivity of anodic coatings. This project was directed toward the effects of ultra-violet radiation on high emissivity anodic coatings. The work of both Evelyne Orndoff and Hector Tello is of interest to the Engineering Directorate at NASA/JSC and is also directed toward their research as Rice University graduate students.

Barrera, Enrique V.↗

DOE OSTI2025

FY24 Laboratory Directed Research and Development Annual Report

The Laboratory Directed Research and Development (LDRD) program yields foundational scientific research and development (R&D) essential to growing SRNL’s core competencies, in alignment with SRNL’s Strategic Plan to provide long-term benefits to the Department of Energy (DOE), the National Nuclear Security Administration (NNSA), and other customers and stakeholders. Five strategic goals are outlined in SRNL’s strategic plan: 1) Provide applied science and engineering for EM’s active clean-up sites and LM’s post closure management sites 2) Provide science-based solutions for gaps identified in nonproliferation strategic vision and support the government in activities impacting national security 3) Lead Science, Technology & Engineering as the central technical authority for processing tritium loaded reservoirs and support production of plutonium pits 4) Align science and energy security programs by focusing modern modeling, simulation, and data analytics tools on materials engineering and performance applications 5) Build a workforce for the future

Clark, Sue [Savannah River National Laboratory (SR↗

DOE OSTI2026

Quantum statistical plasmonic metacrystals

Engineering materials that control quantum many-body dynamics remains challenging, as multiparticle interactions typically produce complex emergent behaviour that is difficult to predict. Here we introduce quantum statistical plasmonic metacrystals, structures in which the multiparticle dynamics mediated by optical near fields produce forbidden quantum statistical bands that enable selective transmission of different types of light. This functionality arises from a plasmonic structure composed of nanoantennas acting as meta-atoms. Multiphoton fields with statistics within the allowed bands propagate without distortion, whereas fields in forbidden bands are suppressed or driven towards the nearest accessible statistical state. We show that these bands are determined by the geometry and collective arrangement of the meta-atoms, providing a deterministic route to engineering quantum statistical transport. This platform establishes a room-temperature quantum material intrinsically sensitive to the quantum coherence of many-body photonic systems, enabling their robust manipulation and transport. Our results have implications for coherence-sensitive photonic materials for energy harvesting and scalable many-body quantum technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Lithium ion intercalation in thin crystals of hexagonal TaSe 2 gated by a polymer electrolyte

Ionic liquid gating has been used to modify the properties of layered transition metal dichalcogenides (TMDCs), including two-dimensional (2D) crystals of TMDCs used extensively recently in the device work, which has led to observations of properties not seen in the bulk. The main effect comes from the electrostatic gating due to the strong electric field at the interface. In addition, ionic liquid gating also leads to ion intercalation when the ion size of the gate electrolyte is small compared to the interlayer spacing of TMDCs. However, the microscopic processes of ion intercalation have rarely been explored in layered TMDCs. Here, we employed a technique combining photolithography device fabrication and electrical transport measurements on the thin crystals of hexagonal TaSe2 using multiple channel devices gated by a polymer electrolyte LiClO 4 /Polyethylene oxide (PEO). The gate voltage and time dependent source-drain resistances of these thin crystals were used to obtain information on the intercalation process, the effect of ion intercalation, and the correlation between the ion occupation of allowed interstitial sites and the device characteristics. We found a gate voltage controlled modulation of the charge density waves and a scattering rate of charge carriers. Furthermore our work suggests that ion intercalation can be a useful tool for layered materials engineering and 2D crystal device design.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Anomaly Detection in Materials Digital Twins with Multiscale ICME for Additive Manufacturing

Detecting anomaly in fatigue and fracture experimental materials science is an interesting yet challenging topic. The reasons are threefold. First, the anomalous microstructure feature that gives rise to structural failure is small, sometimes in the order of 10 -7 of the interrogated volume. This, in turn, results in a highly imbalanced classification problem in machine learning (ML). Second, the consequence is high, in the sense that the test specimen is destructed in such case. Third, the convolution between microstructure stochasticity and the small probability of void nucleation, growth, and coalescence makes failure and fracture a hard-to-predict and challenging problem in materials science due to its irreproducibility, even experimentally. In this paper, we developed a materials digital twin and applied anomaly detection methods to detect voids and anomaly in additive manufacturing (AM). The materials digital twin is driven by two integrated computational materials engineering (ICME) models, which are kinetic Monte Carlo (kMC) and crystal plasticity finite element method (CPFEM). In conclusion, we demonstrated that by using anomaly detection, it is possible to detect voids and other defects in materials digital twin, which paves way for future research in integrating materials digital twin with its physical counterpart.

ICME↗

NASA NTRS1997

Habitats and Surface Construction Technology and Development Roadmap

The vision of the technology and development teams at NASA Ames and Johnson Research Centers is to provide the capability for automated delivery and emplacement of habitats and surface facilities. The benefits of the program are as follows: Composites and Inflatables: 30-50% (goal) lighter than Al Hard Structures; Capability for Increased Habitable Volume, Launch Efficiency; Long Term Growth Potential; and Supports initiation of commercial and industrial expansion. Key Habitats and Surface Construction (H&SC) technology issues are: Habitat Shell Structural Materials; Seals and Mechanisms; Construction and Assembly: Automated Pro-Deploy Construction Systems; ISRU Soil/Construction Equipment: Lightweight and Lower Power Needs; Radiation Protection (Health and Human Performance Tech.); Life Support System (Regenerative Life Support System Tech.); Human Physiology of Long Duration Space Flight (Health and Human Performance Tech.); and Human Psychology of Long Duration Space Flight (Health and Human Performance Tech.) What is being done regarding these issues?: Use of composite materials for X-38 CRV, RLV, etc.; TransHAB inflatable habitat design/development; Japanese corporations working on ISRU-derived construction processes. What needs to be done for the 2004 Go Decision?: Characterize Mars Environmental Conditions: Civil Engineering, Material Durability, etc.; Determine Credibility of Inflatable Structures for Human Habitation; and Determine Seal Technology for Mechanisms and Hatches, Life Cycle, and Durability. An overview encompassing all of the issues above is presented.

Marc Cohen↗

DOE OSTI2024

Spectroscopic Characterization of Mn 1+ Low Oxidation State in Prussian Blue-Based Battery Anodes

Stabilization of ions in exotic oxidation states is beneficial for the development of new materials for green energy technologies. Exotic Mn 1+ was proposed to play a role in the function of sodium-based Prussian blue analogues (PBA) batteries, a highly sought-out technology for industrial energy storage. Here, we report the detailed electronic structure characterization of uncharged and charged sodium-based manganese hexacyanomanganate anodes via Mn K-edge X-ray absorption spectroscopy (XAS), Kβ nonresonant X-ray emission (XES), and resonant inelastic X-ray scattering (RIXS). The latter allowed us to obtain site-selective XANES information about two distinct Mn centers. The obtained spectroscopic data represent the first electronic structure characterization of low-spin Mn 1+ using hard X-ray RIXS and XES and allowed us to confirm its role in anode reduction. In conclusion, our experimental approach can be expanded to analysis of analogues with other 3d transition metals broadening the application of exotic ionic states in materials engineering.

36 MATERIALS SCIENCE↗

NASA NTRS1978

Conference on Fire Resistant Materials (FIREMEN): A compilation of presentations and papers

The proceedings of the NASA Fire Resistant Materials Engineering (FIREMEN) Program held at Ames Research Center on April, 13, 14, 1978 are reported. The purpose of the conference was to discuss the results of NASA in the field of aircraft fire safety and fire resistant materials. The program components include the following: (1) large-scale testing; (2) fire toxicology; (3) polymeric materials; and (4) bibliography related and/or generated from the program.

Kourtides, D. A.↗

NASA NTRS1988

Ceramic bearings for use in gas turbine engines

Three decades of research by U.S. industry and government laboratories have produced a vast body of data related to the use of ceramic rolling element bearings and bearing components for aircraft gas turbine engines. Materials such as alumina, silicon carbide, titanium carbide, silicon nitride, and a crystallized glass ceramic have been investigated. Rolling-element endurance tests and analysis of full-complement bearings have been performed. Materials and bearing design methods have continuously improved over the years. This paper reviews a wide range of data and analyses with emphasis on how early NASA contributions as well as more recent data can enable the engineer or metallurgist to determine just where ceramic bearings are most applicable for gas turbines.

Zaretsky, Erwin V.↗

NASA NTRS1989

Ceramic bearings for use in gas turbine engines

Zaretsky, E. V.↗

NASA NTRS1983

Creep fatigue life prediction for engine hot section materials (isotropic)

The Hot Section Technology (HOST) program, creep fatigue life prediction for engine hot section materials (isotropic), is reviewed. The program is aimed at improving the high temperature crack initiation life prediction technology for gas turbine hot section components. Significant results include: (1) cast B1900 and wrought IN 718 selected as the base and alternative materials respectively; (2) fatigue test specimens indicated that measurable surface cracks appear early in the specimen lives, i.e., 15% of total life at 871 C and 50% of life at 538 c; (3) observed crack initiation sites are all surface initiated and are associated with either grain boundary carbides or local porosity, transgrannular cracking is observed at the initiation site for all conditions tested; and (4) an initial evaluation of two life prediction models, representative of macroscopic (Coffin-Mason) and more microscopic (damage rate) approaches, was conducted using limited data generated at 871 C and 538 C. It is found that the microscopic approach provides a more accurate regression of the data used to determine crack initiation model constants, but overpredicts the effect of strain rate on crack initiation life for the conditions tested.

Moreno, V.↗

NASA NTRS1986

Selection of rolling-element bearing steels for long-life application

Nearly four decades of research in bearing steel metallurgy and processing have resulted in improvements in bearing life by a factor of 100 over that obtained in the early 1940's. For critical applications such as aircraft, these improvements have resulted in longer lived, more reliable commercial aircraft engines. Material factors such as hardness, retained austenite, grain size and carbide size, number, and area can influence rolling-element fatigue life. Bearing steel processing such as double vacuum melting can have a greater efect on bearing life than material chemistry. The selection and specification of a bearing steel is dependent on the integration of all these considerations into the bearing design and application. The paper reviews rolling-element fatigue data and analysis which can enable the engineer or metallurgist to select a rolling-element bearing steel for critical applications where long life is required.

Zaretsky, E. V.↗

NASA NTRS1989

Selection of rolling-element bearing steels for long-life applications

Nearly four decades of research in bearing steel metallurgy and processing have resulted in improvements in bearing life by a factor of 100 over that obtained in the early 1940s. For critical applications such as aircraft, these improvements have resulted in longer lived, more reliable commercial aircraft engines. Material factors such as hardness, retained austenite, grain size and carbide size, number, and area can influence rolling-element fatigue life. Bearing steel processing such as double vacuum melting can have a greater effect on bearing life than material chemistry. The selection and specification of a bearing steel is dependent on the integration of all these considerations into the bearing design and application. The paper reviews rolling-element fatigue data and analysis which can enable the engineer or metallurgist to select a rolling-element bearing steel for critical applications where long life is required.

Zaretsky, Erwin V.↗

NASA NTRS1992

Aeronautical engineering: A continuing bibliography with indexes (supplement 280)

This bibliography lists 647 reports, articles, and other documents introduced into the NASA scientific and technical information system in June, 1991. Subject coverage includes: aerodynamics, air transportation safety, aircraft communication and navigation, aircraft design and performance, aircraft instrumentation, aircraft propulsion, aircraft stability and control, research facilities, astronautics, chemistry and materials, engineering, geosciences, computer sciences, physics, and social sciences.

Source record↗