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DOE OSTI2024

Carbon Fiber-Based Vitrimer Composites: A Path toward Current Research That Is High-Performing, Useful, and Sustainable

In the polymeric material industry, thermosets and related composites have played a substantial role in the production of rubber and plastics. One important subset of these is thermoset composites with carbon reinforcement. The incorporation of carbon fillers and fibers gives polymeric materials improved electrical and mechanical properties, among other benefits. However, the covalently crosslinked network of thermosets presents significant challenges for recycling and reprocessing because of its intractable nature. The introduction of vitrimer materials opens a new avenue to produce biodegradable and recyclable thermosets. Carbon-reinforced vitrimer composites are pursued for high-performance, long-lasting materials with attractive physical properties, the ability to be recycled and processed, and other features that respond uniquely to stimuli. The development of carbon-reinforced vitrimer composites over the last few years is summarized in this article. First, an overview of vitrimers and the methods used to prepare carbon fiber-reinforced vitrimer composites is provided. Because of the vitrimer nature of such composites, reprocessing, healing, and recycling are viable ways to greatly extend their service life; these approaches are thoroughly explained and summarized. The conclusion is our prediction for developing carbon-based vitrimer composites.

36 MATERIALS SCIENCE↗

DOE OSTI2020

High-performance Generic Neutrino Detection in a LArTPC near the Earth's Surface with the MicroBooNE Detector

Large Liquid Argon Time Projection Chambers (LArTPCs) are being increasingly adopted in neutrino oscillation experiments because of their superb imaging capabilities through the combination of both tracking and calorimetry in a fully active volume. Active LArTPC neutrino detectors at or near the Earth's surface, such as the MicroBooNE experiment, present a unique analysis challenge because of the large flux of cosmic-ray muons and the slow drift of ionization electrons. We present a novel Wire-Cell-based high-performance generic neutrino-detection technique implemented in MicroBooNE. The cosmic-ray background is reduced by a factor of 1.4$\times10^{5}$ resulting in a 9.7% cosmic contamination in the selected neutrino candidate events, for visible energies greater than 200~MeV, while the neutrino signal efficiency is retained at 88.4% for $\nu_{\mu}$ charged-current interactions in the fiducial volume in the same energy region. This significantly improved performance compared to existing reconstruction algorithms, marks a major milestone toward reaching the scientific goals of LArTPC neutrino oscillation experiments operating near the Earth's surface.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Lessons learned from the development and implementation of a workforce training curriculum for advanced controls for high performance HVAC systems

Over the past decade, academic research on advanced controls has slowly transitioned into new software platforms, giving rise to various companies developing and deploying these innovative products, including solutions for light commercial HVAC systems. However, the current workforce remains widely unprepared to install, maintain and operate these systems, particularly complex software-based control platforms, as most workforce training programs still focus on traditional building automation for large commercial buildings. This paper presents the development and piloting of curriculum for three key types of professionals: ● Technicians (trade-level): installing and maintaining modern high-performance HVAC systems and controls ● Programmers (undergrad-level): developing and implementing advanced controls ● Engineers and energy professionals (undergrad/grad-level): managing and evaluating system performance We share details of the material developed including training videos, open-source software, instruction manuals. We also present the results of a pilot implementation of the training materials with real students.

Casillas, Armando↗

NASA NTRS1993

High performance flight computer developed for deep space applications

The development of an advanced space flight computer for real time embedded deep space applications which embodies the lessons learned on Galileo and modern computer technology is described. The requirements are listed and the design implementation that meets those requirements is described. The development of SPACE-16 (Spaceborne Advanced Computing Engine) (where 16 designates the databus width) was initiated to support the MM2 (Marine Mark 2) project. The computer is based on a radiation hardened emulation of a modern 32 bit microprocessor and its family of support devices including a high performance floating point accelerator. Additional custom devices which include a coprocessor to improve input/output capabilities, a memory interface chip, and an additional support chip that provide management of all fault tolerant features, are described. Detailed supporting analyses and rationale which justifies specific design and architectural decisions are provided. The six chip types were designed and fabricated. Testing and evaluation of a brass/board was initiated.

Bunker, Robert L.↗

NASA NTRS1991

A vector unsymmetric eigenequation solver for nonlinear flutter analysis on high-performance computers

A finite element approach is presented for determining the nonlinear flutter characteristics of composite panels using unsteady, third-order piston theory aerodynamics. Both nonlinear structural (large-amplitude) and nonlinear aerodynamics terms are considered in the finite element formulation. Solution procedures are presented to solve the nonlinear panel flutter and the large-amplitude free vibration finite element equations. Nonlinear aerodynamic and linear structural finite element flutter results for composite panels are also presented. An efficient, vector-version generalized unsymmetric eigenequation solver is developed for large-amplitude vibration and nonlinear panel flutter analyses on high-performance computers.

Qin, Jiangning↗

DOE OSTI2025

Architecture-Aware Models of AI Engines for High-Performance Matrix Matrix Multiplication

The AI Engine (AIE) architecture, available in systems from mobile SoCs to server-class FPGAs, aims to efficiently execute AI/ML tasks through a two-dimensional array of compute tiles. Previous work on AIEs has explored different approaches to mapping computation across spatial arrays, but the compute kernel running on each tile has not been the focus. Additionally, the AIE-ML architecture introduces memory tiles and omits programmable logic, requiring new approaches to staging and moving data throughout the array. In this work we update analytical models developed for CPUs to produce the design of high performance kernels while introducing new model considerations such as memory structure, throughput, and latency as required by the AIE hardware. We evaluate our models by developing AIE-ML kernels for matrix multiplication in low-precision data types showing performance up to 95% of compute peak for the kernel when data resides in local memory and above 90% of compute peak when data resides in main memory.

Binder, Elliott D. [Carnegie Mellon University, Pi↗

NASA NTRS2002

Development of a High Performance Acousto-ultrasonic Scan System

Roth, D. J.↗

NASA NTRS2003

High-Performance Acousto-Ultrasonic Scan System Being Developed

Acousto-ultrasonic (AU) interrogation is a single-sided nondestructive evaluation (NDE) technique employing separated sending and receiving transducers. It is used for assessing the microstructural condition and distributed damage state of the material between the transducers. AU is complementary to more traditional NDE methods, such as ultrasonic cscan, x-ray radiography, and thermographic inspection, which tend to be used primarily for discrete flaw detection. Throughout its history, AU has been used to inspect polymer matrix composites, metal matrix composites, ceramic matrix composites, and even monolithic metallic materials. The development of a high-performance automated AU scan system for characterizing within-sample microstructural and property homogeneity is currently in a prototype stage at NASA. This year, essential AU technology was reviewed. In addition, the basic hardware and software configuration for the scanner was developed, and preliminary results with the system were described. Mechanical and environmental loads applied to composite materials can cause distributed damage (as well as discrete defects) that plays a significant role in the degradation of physical properties. Such damage includes fiber/matrix debonding (interface failure), matrix microcracking, and fiber fracture and buckling. Investigations at the NASA Glenn Research Center have shown that traditional NDE scan inspection methods such as ultrasonic c-scan, x-ray imaging, and thermographic imaging tend to be more suited to discrete defect detection rather than the characterization of accumulated distributed micro-damage in composites. Since AU is focused on assessing the distributed micro-damage state of the material in between the sending and receiving transducers, it has proven to be quite suitable for assessing the relative composite material state. One major success story at Glenn with AU measurements has been the correlation between the ultrasonic decay rate obtained during AU inspection and the mechanical modulus (stiffness) seen during fatigue experiments with silicon carbide/silicon carbide (SiC/SiC) ceramic matrix composite samples. As shown in the figure, ultrasonic decay increased as the modulus decreased for the ceramic matrix composite tensile fatigue samples. The likely microstructural reason for the decrease in modulus (and increase in ultrasonic decay) is the matrix microcracking that commonly occurs during fatigue testing of these materials. Ultrasonic decay has shown the capability to track the pattern of transverse cracking and fiber breakage in these composites.

Roth, Don J.↗

NASA NTRS2003

High-Performance Acousto-Ultrasonic Scan System Being Developed

Acousto-ultrasonic (AU) interrogation is a single-sided nondestructive evaluation (NDE) technique employing separated sending and receiving transducers. It is used for assessing the microstructural condition and distributed damage state of the material between the transducers. AU is complementary to more traditional NDE methods, such as ultrasonic cscan, x-ray radiography, and thermographic inspection, which tend to be used primarily for discrete flaw detection. Throughout its history, AU has been used to inspect polymer matrix composites, metal matrix composites, ceramic matrix composites, and even monolithic metallic materials. The development of a high-performance automated AU scan system for characterizing within-sample microstructural and property homogeneity is currently in a prototype stage at NASA. This year, essential AU technology was reviewed. In addition, the basic hardware and software configuration for the scanner was developed, and preliminary results with the system were described. Mechanical and environmental loads applied to composite materials can cause distributed damage (as well as discrete defects) that plays a significant role in the degradation of physical properties. Such damage includes fiber/matrix debonding (interface failure), matrix microcracking, and fiber fracture and buckling. Investigations at the NASA Glenn Research Center have shown that traditional NDE scan inspection methods such as ultrasonic c-scan, x-ray imaging, and thermographic imaging tend to be more suited to discrete defect detection rather than the characterization of accumulated distributed microdamage in composites. Since AU is focused on assessing the distributed microdamage state of the material in between the sending and receiving transducers, it has proven to be quite suitable for assessing the relative composite material state. One major success story at Glenn with AU measurements has been the correlation between the ultrasonic decay rate obtained during AU inspection and the mechanical modulus (stiffness) seen during fatigue experiments with silicon carbide/silicon carbide (SiC/SiC) ceramic matrix composite samples. As shown in the figure, ultrasonic decay increased as the modulus decreased for the ceramic matrix composite tensile fatigue samples. The likely microstructural reason for the decrease in modulus (and increase in ultrasonic decay) is the matrix microcracking that commonly occurs during fatigue testing of these materials. Ultrasonic decay has shown the capability to track the pattern of transverse cracking and fiber breakage in these composites.

Roth, Don J.↗

NASA NTRS1985

Design study of technology requirements for high performance single-propeller-driven business airplanes

Developments in aerodyamic, structural and propulsion technologies which influence the potential for significant improvements in performance and fuel efficiency of general aviation business airplanes are discussed. The advancements include such technolgies as natural laminar flow, composite materials, and advanced intermittent combustion engines. The design goal for this parameter design study is a range of 1300 nm at 300 knots true airspeed with a payload of 1200lbs at 35,000 ft cruise altitude. The individual and synergistic effects of various advanced technologies on the optimization of this class of high performance, single engine, propeller driven business airplanes are identified.

Kohlman, D. L.↗

DOE OSTI2026

Extreme-scale EV charging infrastructure planning for last-mile delivery using high-performance parallel computing

Here, this paper addresses stochastic charger location and allocation problems under queue congestion for last-mile delivery using electric vehicles (EVs). The objective is to decide where to open charging stations and how many chargers of each type to install, subject to budgetary and waiting-time constraints. We formulate the problem as a mixed-integer non-linear program, where each station-charger pair is modeled as a multiserver queue with stochastic arrivals and service times to capture the notion of waiting in fleet operations. The model is extremely large, with billions of variables and constraints for a typical metropolitan area; even loading the model in solver memory is difficult, let alone solving it. To address this challenge, we develop a Lagrangian-based dual decomposition framework that decomposes the problem by station and leverages parallelization on high-performance computing systems, where the subproblems are solved by using a cutting plane method and their solutions are collected at the master level. We also develop a three-step rounding heuristic to transform the fractional subproblem solutions into feasible integral solutions. Computational experiments on data from the Chicago metropolitan area with hundreds of thousands of households and thousands of candidate stations show that our approach produces high-quality solutions in cases where existing exact methods cannot even load the model in memory. We also analyze various policy scenarios, demonstrating that combining existing depots with newly built stations under multiagency collaboration substantially reduces costs and congestion. These findings offer a scalable and efficient framework for developing sustainable large-scale EV charging networks.

Capacity allocation↗

DOE OSTI2024

Oxidation‐Driven Enhancement of Intrinsic Properties in MXene Electrodes for High‐Performance Flexible Energy Storage

Abstract MXenes, a novel class of 2D materials, exhibit great potential for energy storage due to their unique layered structure and excellent electrical conductivity. However, improving the intrinsic electrochemical storage capacity of MXenes remains a significant challenge, often requiring the incorporation of other Faradaic materials. Oxidation, in particular, poses a key issue that impacts the capacity of MXene devices. In this study, controlled oxidation is employed to create nanoscale holes within MXene, transforming them into holey MXene (H‐MXene) nanosheets. These porous structures shorten ion transport distances and increase ion transport pathways, thereby significantly enhancing the electrochemical storage capacity of MXenes. The resulting H‐MXene micro‐supercapacitors (MSCs) demonstrate exceptional performance, achieving an aerial capacitance 2.5 times that of unmodified MXene electrodes, along with excellent cycling stability, retaining 91.7% of their capacitance after 10 000 cycles. Additionally, a flexible integrated system combining energy storage and sensing functionalities is developed, showcasing its scalability in self‐powered sensing applications. The incorporation of self‐healing polyurethane (PU) enables the device to retain 90% of its storage capacity after undergoing self‐healing. This study presents a novel approach for developing high‐performance MXene‐based energy storage devices and provides valuable insights into efficient ion transport and storage in 2D materials.

Cheng, Yongfa [Department of Materials Science and↗

NASA NTRS2024

Enantioselective Three-Dimensional High-Performance Liquid Chromatographic Determination of Amino Acids in the Hayabusa2 Returned Samples from the Asteroid Ryugu

The chirality of amino acids in extraterrestrial materials may provide an insight into the origin of the essential L-enantiopure amino acids in the terrestrial biosphere. In 2020, the Hayabusa2 mission succeeded in bringing back surface materials from the C-type asteroid (162173) Ryugu to the Earth. Amino acids were one of the targeted organic molecules to be studied in the Ryugu samples. To analyze the various structural isomers of amino acids, which were expected to be present, from the limited amount of the returned samples, the development of a highly-sensitive and selective analytical method was necessary. In the present study, a three-dimensional high-performance liquid chromatography (3D-HPLC) system has been developed for the enantioselective determination of five proteinogenic and three non-proteinogenic amino acids in the Ryugu samples, in which amino acids in the sample were separated by reversed-phase, anion-exchange and enantioselective columns after the fluorescence derivatization with 4-fluoro-7-nitro-2,1,3-benzoxadiozole. The applicability of the analytical system to the extraterrestrial samples was evaluated by analyzing several types of carbonaceous meteorites before applying the system to the Ryugu samples. In the analysis of the Ryugu samples, all of the target amino acids were successfully determined quantitatively. Non-proteinogenic amino acids including 2-amino-n-butyric acid, isovaline and norvaline, rarely present in the terrestrial environment, were found as almost racemic mixtures with 47.1 to 55.2%L.

Amino acids↗

NASA NTRS2020

Efficient production of a high-performance dispersion strengthened, multi-principal element alloy

Additive manufacturing currently facilitates new avenues for materials discovery that have not been fully explored. In this study we reveal how additive manufacturing can be leveraged to produce dispersion strengthened (DS), multi-principal element alloys (MPEA) without the use of traditional mechanical alloying or chemical reactions. This new processing technique employed resonant acoustic mixing to coat an equiatomic NiCoCr powder with nano-scale yttrium oxides. Then, through laser powder bed fusion (L-PBF), the coated powder was successfully consolidated into 99.9% dense parts. Microstructural analysis confirmed the successful incorporation and dispersion of nano-scale oxides throughout the build volume. Furthermore, high temperature mechanical testing of the DS alloys showed significant improvements in strength and ductility over the baseline NiCoCr. As a result, this recently discovered processing route opens a new alloy design and production path that is synergistic between additive manufacturing and dispersion strengthening, possibly enabling a new generation of high-performance alloys.

T.M. Smith↗

DOE OSTI2023

Predictive Engineering of Interfaces and Cathodes for High-Performance All Solid-State Lithium-Sulfur Batteries

The primary goal of this project is to leverage data-driven methods and machine learning strategies to develop accurate multi-physics models for all-solid-state Li-S battery (ASLSB) materials that can capture electrochemical and transport phenomena over atomic to mesoscopic length/timescales. These models will be rigorously validated by synthesis and advanced characterization experiments. The team will leverage the predictive power of these models, alongside synthesis/characterization experiments and battery fabrication to address longstanding issues at the electrode/electrolyte interfaces in ASLSBs. The project’s proposed technology involves the following: (1) halide-doped solid sulfide electrolytes that can concurrently provide high Li + ion conductivity and suppress dendrite growth; (2) novel mesoporous cathode composed of super-P and carbon nanotubes co-infiltrated with sulfur and sulfide electrolyte, which hold potential to allow high sulfur loading and optimal ion/electron pathways; and (3) functionalization of sulfide electrolyte with ionic liquids to improve physical contact and minimize impedance at the cathode/electrolyte interface. Successful development of proposed predictive models (at multiple scales) will bridge this knowledge gap and will advance fundamental understanding of reaction chemistry, kinetics, charge transfer, and dendrite growth at electrified SSIs. This will enable predictive design of effective strategies to mitigate interfacial problems in ASSLSBs, including poor interfacial contact, interfacial impedance to Li + ion transport, and poor electron/ion conduction within cathodes. Ultimately, the fundamental knowledge gained will lead to development of high-performance ASSLSBs.

25 ENERGY STORAGE↗

DOE OSTI2022

A nitrogen- and carbonyl-rich conjugated small-molecule organic cathode for high-performance sodium-ion batteries

Organic-based cathode materials have attracted considerable attention for sustainable Na-ion batteries due to their great promise to overcome the issues arising from the insertion of large Na + into the rigid structures of conventional transition-metal-containing inorganic electrodes. The structural flexibility as a result of weak intermolecular interactions and simple electron- and ion-storage mechanisms found in organic compounds ensure facile and reversible transport of Na ions. In order to address the general drawbacks of small-molecule organic electrodes such as material dissolution in commonly used organic electrolytes and poor electronic conductivity, we report the use of a nitrogen- and carbonyl-rich highly extended π-conjugated small molecule, hexaazatrianthranylene (HATA) embedded quinone (HATAQ), as a cathode for sodium-ion batteries. The unique hydrogen bonds between highly functionalized conjugated HATAQ molecules allow supramolecular graphite-like 2D layered arrangements in the solid state which help facilitate the structural stability during long-term cycling and promote charge transfer. The compound delivers a capacity as high as 460 mA h g -1 at 500 mA g -1 and an excellent capacity retention of 99% (~138 mA h g -1 ) after 5000 cycles at an extremely high rate of 60 A g -1 . The reaction kinetics and redox mechanism of the material have been elucidated by several characterization techniques together with density functional theory (DFT) studies. The insights gained in this work could pave the way for ultra-high-performance small-molecule organic cathodes for sustainable energy storage.

25 ENERGY STORAGE↗

DOE OSTI2023

High-Performance Coal-Based Commercial Facade Panels and Architectural Components (Phase I Final Report)

Semplastics has developed, tested, and documented the viability for commercialization of a new class of composite architectural panel materials that use coal as the primary constituent. This project produced sample panels using these novel materials that comprise 55% coal by mass (71% carbon by mass) and are comparable in dimensions to commercially available materials, while displaying superior mechanical strength, significant weight savings, and better insulating ability at a competitive cost. Phase I moved this coal-based composite materials technology from a Technology Readiness Level (TRL) of 3 to TRL 5. Semplastics’ new coal-based composite materials display an array of high-performance characteristics, including light weight, mechanical durability, temperature stability, and water resistance. These new materials require less energy to produce than comparable commercial products and could be manufactured on existing conventional plastic resin processing equipment in commercial quantities. The coal particles are completely encapsulated in ceramic from a polymer-derived ceramic (PDC) precursor, then bonded together by another inorganic resin. The material can be molded and cured to produce fireproof components such as ceiling panels, facades, and extruded underlayment, blocking, and backer boards, as well as other architectural design components such as moldings. The project included the production of sample panels for proof of concept, testing of the panels to show their improved characteristics, and development of a scale-up strategy to demonstrate the viability of the coal-based panels as a commercial alternative to existing building materials.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Effect of moderate temperatures on compressive strength of ultra-high-performance concrete: A microstructural analysis

Highlights: • All coarse aggregates and steel fibres were surrounded by the binder. • X-ray diffraction is useful for explaining the increase in compressive strength with increasing temperature. • Rosenhahnite and/or quartz Dauphiné-twinned phases improved the compressive strength. • Polypropylene fibres prevented spalling and preserved the compressive strength. • Concrete with steel and polypropylene fibres did not exhibit spalling at 300 °C. Concrete with two types of steel fibres and a polypropylene fibre prevented spalling and preserved the compressive strength at 300 °C, which makes these concretes suitable for long-term applications up to 300 °C, such as for steam collectors or thermal energy storage systems. The compressive strength behaviour of three types of ultra-high-performance fibre-reinforced concrete manufactured with the same matrix was investigated. For this purpose, a complete characterisation of all the raw materials and the three types of fibres used was performed. The morphology of all concrete mixtures at room temperature was analysed using scanning electron microscopy–energy-dispersive X-ray spectroscopy. From the results, it was ascertained that the steel fibres and coarse siliceous aggregates were not in contact (being separated by ≥3.41 μm) and were surrounded by the binder (of ≥1 μm in thickness) for all the mixtures studied. Rosenhahnite and/or quartz Dauphiné-twinned phases improved the compressive strength (as determined by X-ray diffraction).

36 MATERIALS SCIENCE↗