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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Advanced characterization-informed machine learning framework and quantitative insight to irradiated annular U-10Zr metallic fuels

Abstract U-10Zr Metal fuel is a promising nuclear fuel candidate for next-generation sodium-cooled fast spectrum reactors. Since the Experimental Breeder Reactor-II in the late 1960s, researchers accumulated a considerable amount of experience and knowledge on fuel performance at the engineering scale. However, a mechanistic understanding of fuel microstructure evolution and property degradation during in-reactor irradiation is still missing due to a lack of appropriate tools for rapid fuel microstructure assessment and property prediction based on post irradiation examination. This paper proposed a machine learning enabled workflow, coupled with domain knowledge and large dataset collected from advanced post-irradiation examination microscopies, to provide rapid and quantified assessments of the microstructure in two reactor irradiated prototypical annular metal fuels. Specifically, this paper revealed the distribution of Zr-bearing secondary phases and constitutional redistribution across different radial locations. Additionally, the ratios of seven different microstructures at various locations along the temperature gradient were quantified. Moreover, the distributions of fission gas pores on two types of U-10Zr annular fuels were quantitatively compared.

36 MATERIALS SCIENCE↗

DOE OSTI2025

32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery

Abstract Large language models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 32 total projects developed during the second annual LLM hackathon for applications in materials science and chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.

Computer Science↗

DOE OSTI2024

Compliant Intramedullary Stems for Joint Reconstruction

The longevity of current joint replacements is limited by aseptic loosening, which is the primary cause of non-infectious failure for hip, knee, and ankle arthroplasty. Aseptic loosening is typically caused either by osteolysis from particulate wear, or by high shear stresses at the bone-implant interface from over-constraint. Our objective was to demonstrate feasibility of a compliant intramedullary stem that eliminates over-constraint without generating particulate wear. The compliant stem is built around a compliant mechanism that permits rotation about a single axis. We first established several models to understand the relationship between mechanism geometry and implant performance under a given angular displacement and compressive load. We then used a neural network to identify a design space of geometries that would support an expected 100-year fatigue life inside the body. We additively manufactured one representative mechanism for each of three anatomic locations, and evaluated these prototypes on a KR-210 robot. The neural network predicts maximum stress and torsional stiffness with 2.69% and 4.08% error respectively, relative to finite element analysis data. We identified feasible design spaces for all three of the anatomic locations. Simulated peak stresses for the three stem prototypes were below the fatigue limit. Benchtop performance of all three prototypes was within design specifications. Our results demonstrate the feasibility of designing patient- and joint-specific compliant stems that address the root causes of aseptic loosening. Guided by these results, we expect the use of compliant intramedullary stems in joint reconstruction technology to increase implant lifetime.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Closing the Loop on Automotive Carbon Fiber Prepreg Manufacturing Scrap

The project demonstrated how to “close the loop” on carbon fiber by integrating industrial carbon fiber scrap into new functional components in an automotive lightweighting application. The project serves as a validation of discontinuous recycled carbon fiber in a commercial context, while generating comprehensive material data throughout the production chain. To this end, the project exhibited increasing complexity as material evaluation progressed from benchtop to commercial scale through full-scale part production, with key material properties thoroughly characterized throughout the process. Of particular focus was the form of the fiber that was fed into compounding, as recycled fiber has historically been problematic to feed at commercial-scale. Carbon fiber is energy-intensive to manufacture, so reuse of existing fiber material can reduce costs and increase sustainability. Additionally, by integrating recovered short fiber into a thermoplastic, regrind processes can be used to provide feedstock for later generations of product. While regrind plastics are not “infinitely recyclable”, reusing the manufacturing scrap over several generations of products can greatly increase material sustainability and lower the fractional embodied energy of each successive product. As such, this project supports the IACMI technical goals of (1) 25% lower carbon fiber-reinforced polymer (CFRP) cost, (2) 50% reduction in CFRP embodied energy, and (3) 80% composite recyclability into useful products. The initial stage of the project involved down selecting surface treatment (sizing) chemistries. Sizing evaluations were performed on Vartega’s chemically recycled intermediate modulus fiber along with standard modulus dry scrap which was oversized with sizing provided by Michelman. More dramatic improvements from sizing were found on the standard rather than the intermediate modulus fibers. The strength of the chemically recycled individual fibers were evaluated by Michelman and ORNL through single fiber testing and found to be comparable to similarly evaluated virgin fibers. UDRI’s mechanical testing on injection molded test specimens identified similar mechanical properties and fiber distribution relative to benchmark specimens. Additional surface chemistry tests and visualizations were performed by the Colorado School of Mines to confirm close conformance between the benchmark and recycled-fiber specimens. As the mechanical test results exceeded the 80% threshold established as the go/no-go(GNG), the project scale was increased to use commercial-scale equipment that would both better characterize the manufacturing utility of the target product format and allow qualitative assessment of a complex commercial part. An upscaled compounding evaluation was performed with a 27 mm twin-screw compounding extruding using oversized standard modulus fibers that were formatted to improve bulk solids transfer. The project team anticipated that milestone mechanical benchmarks could be achieved given the favorable performance of the sized standard modulus material identified in the initial micro-compounding trials. While the mechanical performance did meet the milestone target for that phase of the project, mechanical properties for this standard modulus-based compound were still less than those of the Ford specification. To compare the performance, the project team oversized intermediate modulus dry fibers and compounded them with the project resin at BASF using a 40 mm compounder. Test specimen mechanical performance exceeded the targets laid out in both the project milestone and the Ford specification. A series of prototype parts were successfully molded, albeit with instances of short shot components due to the high thermal conductivity of the carbon fiber compared to glass fiber for which the prototype tool was designed for. The project demonstrated that recycled carbon fiber is a viable option in fiber reinforced compound, providing greatly increased strength and modulus for applications that require them. The “agglomerated” format that facilitated effective bulk solids transfer of recovered fiber showed promise for industrial application.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Consensus DOE Advanced Fuels Campaign TREAT/SATS Test Plan [Slides]

This record is comprised of summary slides of the Combined TREAT-LOC & SATS Integral LOCA Experiment Plan. The experimental program has been developed to specifically address data gaps and opportunities identified through detailed review of the existing public knowledgebase on LOCA FFRD and specific experimental development for prototypic LOCA conditions for LWR systems. The test program relies on a unique combination of in-pile and out-of-pile experimental approaches to (1) provide clear tieback to the existing integral and semi-integral LOCA experiment database using state-of-the-art facilities. More importantly, this program will systematically investigate the impacts of: (2) prototypic HBu fuel and cladding thermomechanical behaviors under postulated LWR LOCA conditions never fully investigated before. These conditions correspond with prototypic decay-energy heat up (DEH) and stored-energy heat up (SEH) conditions. Unique TREAT capability will provide first evaluation of SEH conditions on HBu fuels. The test program includes an emphasis on developing improved mechanistic understanding of key phenomena through independent experimental systems, development of a database to support fuel performance modeling tools, world leading advanced materials characterization, and the most advanced approach to in-situ diagnostics ever deployed to evaluate FFRD. The results will represent a significant leap forward in the evaluation of prototypic conditions and novel data to support modeling development and validation, as well as to inform the technical basis of LOCA-induced FFRD.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1973

Evaluation of the electro-optic direction sensor

Evaluation of a no-moving-parts single-axis star tracker called an electro-optic direction sensor (EODS) concept is described and the results are given in detail. The work involved experimental evaluation of a breadboard sensor yielding results which would permit design of a prototype sensor for a specific application. The laboratory work included evaluation of the noise equivalent input angle of the sensor, demonstration of a technique for producing an acquisition signal, constraints on the useful field-of-view, and a qualitative evaluation of the effects of stray light. In addition, the potential of the silicon avalanche-type photodiode for this application was investigated. No benefit in noise figure was found, but the easily adjustable gain of the avalanche device was useful. The use of mechanical tuning of the modulating element to reduce voltage requirements was also explored. The predicted performance of EODS in both photomultiplier and solid state detector configurations was compared to an existing state-of-the-art star tracker.

Johnson, A. R.↗

NASA NTRS1989

Flight software development for the isothermal dendritic growth experiment

The Isothermal Dendritic Growth Experiment (IDGE) is a microgravity materials science experiment scheduled to fly in the cargo bay of the shuttle on the United States Microgravity Payload (USMP) carrier. The experiment will be operated by real-time control software which will not only monitor and control onboard experiment hardware, but will also communicate, via downlink data and uplink commands, with the Payload Operations Control Center (POCC) at NASA George C. Marshall Space Flight Center (MSFC). The software development approach being used to implement this system began with software functional requirements specification. This was accomplished using the Yourdon/DeMarco methodology as supplemented by the Ward/Mellor real-time extensions. The requirements specification in combination with software prototyping was then used to generate a detailed design consisting of structure charts, module prologues, and Program Design Language (PDL) specifications. This detailed design will next be used to code the software, followed finally by testing against the functional requirements. The result will be a modular real-time control software system with traceability through every phase of the development process.

Levinson, Laurie H.↗

NASA NTRS1990

Flight software development for the isothermal dendritic growth experiment

The Isothermal Dendritic Growth Experiment (IDGE) is a microgravity materials science experiment scheduled to fly in the cargo bay of the shuttle on the United States Microgravity Payload (USMP) carrier. The experiment will be operated by real-time control software which will not only monitor and control onboard experiment hardware, but will also communicate, via downlink data and unlink commands, with the Payload Operations Control Center (POCC) at NASA George C. Marshall Space Flight Center (MSFC). The software development approach being used to implement this system began with software functional requirements specification. This was accomplished using the Yourdon/DeMarco methodology as supplemented by the Ward/Mellor real-time extensions. The requirements specification in combination with software prototyping was then used to generate a detailed design consisting of structure charts, module prologues, and Program Design Language (PDL) specifications. This detailed design will next be used to code the software, followed finally by testing against the functional requirements. The result will be a modular real-time control software system with traceability through every phase of the development process.

Levinson, Laurie H.↗

NASA NTRS1992

Domain specific software design for decision aiding

McDonnell Aircraft Company (MCAIR) is involved in many large multi-discipline design and development efforts of tactical aircraft. These involve a number of design disciplines that must be coordinated to produce an integrated design and a successful product. Our interpretation of a domain specific software design (DSSD) is that of a representation or framework that is specialized to support a limited problem domain. A DSSD is an abstract software design that is shaped by the problem characteristics. This parallels the theme of object-oriented analysis and design of letting the problem model directly drive the design. The DSSD concept extends the notion of software reusability to include representations or frameworks. It supports the entire software life cycle and specifically leads to improved prototyping capability, supports system integration, and promotes reuse of software designs and supporting frameworks. The example presented in this paper is the task network architecture or design which was developed for the MCAIR Pilot's Associate program. The task network concept supported both module development and system integration within the domain of operator decision aiding. It is presented as an instance where a software design exhibited many of the attributes associated with DSSD concept.

Keller, Kirby↗

NASA NTRS1993

Prototype Backscatter Moessbauer Spectrometer for Measurement of Martian Surface Mineralogy

We have designed and successfully tested a prototype of a backscatter Moessbauer spectrometer (BaMS) targeted for use on the Martian surface to (1) determine oxidation states of iron, and (2) identify and determine relative abundances of iron-bearing mineralogies. No sample preparation is required to perform measurements; it is only necessary to bring sample and instrument into physical contact. The prototype meets our projected specification for a flight instrument in terms of mass, power, and volume. A Moessbauer spectrometer on the Martian surface would provide wide variety of information about the current state of the Martian surface, and this information is described.

Shelfer, T. D.↗

NASA NTRS1993

Ovonic nickel metal hydride batteries for space applications

Ovonic nickel-metal hydride (NiMH) rechargeable batteries are easily adaptable to a variety of applications. Small consumer NiMH cells were developed and are now being manufactured by licensees throughout the world. This technology was successfully scaled up in larger prismatic cells aimed at electric vehicle applications. Sealed cells aimed at satellite power applications were also built and cycle tested by OBC and other outside agencies. Prototype batteries with high specific energy (over 80 Wh/kg), high energy density (245 Wh/L), and excellent power capability (400 W/kg) were produced. Ovonic NiMH batteries demonstrated an excellent cycle life of over 10,000 cycles at 30 percent DOD. Presently, Ovonic Battery Company is working on an advanced version of this battery for space applications as part of an SBIR contract from NASA.

Venkatesan, S.↗

NASA NTRS1998

Data Understanding Applied to Optimization

The goal of this research is to explore and develop software for supporting visualization and data analysis of search and optimization. Optimization is an ever-present problem in science. The theory of NP-completeness implies that the problems can only be resolved by increasingly smarter problem specific knowledge, possibly for use in some general purpose algorithms. Visualization and data analysis offers an opportunity to accelerate our understanding of key computational bottlenecks in optimization and to automatically tune aspects of the computation for specific problems. We will prototype systems to demonstrate how data understanding can be successfully applied to problems characteristic of NASA's key science optimization tasks, such as central tasks for parallel processing, spacecraft scheduling, and data transmission from a remote satellite.

Buntine, Wray↗

NASA NTRS2015

Design, Fabrication, and Testing of a Composite Rack Prototype in Support of the Deep Space Habitat Program

In support of the Deep Space Habitat project a number of composite rack prototypes were developed, designed, fabricated and tested to various extents ( with the International Standard Payload Rack configuration, or crew quarters, as a baseline). This paper focuses specifically on a composite rack prototype with a direct tie in to Space Station hardware. The outlined prototype is an all composite construction, excluding metallic fasteners, washers, and their associated inserts. The rack utilizes braided carbon composite tubing for the frame with the sidewalls, backwall and flooring sections utilizing aircraft grade composite honeycomb sandwich panels. Novel additively manufactured thermoplastic joints and tube inserts were also developed in support of this effort. Joint and tube insert screening tests were conducted at a preliminary level. The screening tests allowed for modification, and enhancement, of the fabrication and design approaches, which will be outlined. The initial joint tests did not include mechanical fasteners. Adhesives were utilized at the joint to composite tube interfaces, along with mechanical fasteners during final fabrication (thus creating a stronger joint than the adhesive only variant). In general the prototype was focused on a potential in-space assembly approach, or kit-of-parts construction concept, which would not necessarily require the inclusion of an adhesive in the joint regions. However, given the tie in to legacy Station hardware (and potential flight loads with imbedded hardware mass loadings), the rack was built as stiff and strong as possible. Preliminary torque down tests were also conducted to determine the feasibility of mounting the composite honeycomb panels to the composite tubing sections via the additively manufactured tube inserts. Additional fastener torque down tests were also conducted with inserts (helicoils) imbedded within the joints. Lessons learned are also included and discussed.

Smith, Russ↗

NASA NTRS1998

Architectural Optimization of Digital Libraries

This work investigates performance and scaling issues relevant to large scale distributed digital libraries. Presently, performance and scaling studies focus on specific implementations of production or prototype digital libraries. Although useful information is gained to aid these designers and other researchers with insights to performance and scaling issues, the broader issues relevant to very large scale distributed libraries are not addressed. Specifically, no current studies look at the extreme or worst case possibilities in digital library implementations. A survey of digital library research issues is presented. Scaling and performance issues are mentioned frequently in the digital library literature but are generally not the focus of much of the current research. In this thesis a model for a Generic Distributed Digital Library (GDDL) and nine cases of typical user activities are defined. This model is used to facilitate some basic analysis of scaling issues. Specifically, the calculation of Internet traffic generated for different configurations of the study parameters and an estimate of the future bandwidth needed for a large scale distributed digital library implementation. This analysis demonstrates the potential impact a future distributed digital library implementation would have on the Internet traffic load and raises questions concerning the architecture decisions being made for future distributed digital library designs.

Biser, Aileen O.↗

DOE OSTI2023

The COLUTA ADC ASIC and the ATLAS HL-LHC Liquid Argon Front-End Readout

Abstract The upgraded High-Luminosity Large Hadron Collider (HL-LHC) requires a new radiation tolerant ATLAS Liquid Argon (LAr) Calorimeter readout operating at 40 MHz with 16-bit dynamic range. The Front-End Board 2 (FEB2) will provide the front-end readout for the calorimeter, and will interface a series of custom ASICs due to radiation tolerance requirements of the HL-LHC. The COLUTA is a 65 nm CMOS custom 8-channel 15-bit 40 MSPS ADC ASIC developed for this application. This contribution will present performance results of the final prototype of the COLUTA, surpassing specifications at >11.5 ENOB for relevant frequencies, as well as non-linearity and radiation requirements. Preliminary integration results of the front-end readout components will also be described by means of the FEB2 Pre-Prototype, the “Slice Testboard”.

Instruments & Instrumentation↗

DOE OSTI2026

Chemical and Radiological Compatibility Testing of 3D Printed Materials

To dramatically increase the adaptability, performance, and safety of processes in support of the Defense Waste Processing Facility (DWPF), Savannah River National Lab (SRNL) plans to perform chemical and radiological compatibility testing on a wide variety of 3D printed materials of interest. The 3D printing process provides numerous strategic operational benefits such as rapid prototyping of complex designs and geometry specific to the needs of the nuclear waste disposition process, as well as on-demand rapid prototyping and iteration with materials that aren’t as accessible through traditional manufacturing methods. Reaction chemistry in simulated waste batches can be matched closely to its radioactive counterpart, but glass reactor vessels have limitations. Vessel geometry can play a big factor in mixing transport limitations, process chemistry, and degradation reaction kinetics. In addition, additive manufacturing allows for much more detailed vessel design than traditional alternatives. Waste processing techniques in DWPF also encounter extreme chemical environments including high pH, strong acids, abrasive slurries, and significant irradiation. To meet these challenges, a matrix of various polymer, ceramic, and metal additive manufacturing materials have been exposed to a suite of chemical environments of interest as well as radioactive dose (such as gamma radiation from 60 Co) to properly test their durability under these conditions. Mass change has been monitored over a period of up to a week in these conditions, as well as added characterization for surface modification through Scanning Electron Microscopy/Electron Dispersive X-ray analysis (SEM/EDX). Further chemical characterization has been monitored through Fourier-Transform InfraRed Spectroscopy (FTIR), with planned investigation via thermal and tensile strength degradation. While the direct product of this research is identification of material(s) that can withstand specific hazardous environments encountered by the mercury water wash tank in DWPF process simulation experiments, the reference base of materials will be used for many other nuclear processes in the pursuit of rapidly developed, cost-efficient, and highly specific devices for environmental remediation and much more.

Wilson, Nathan W. [Savannah River National Laborat↗

NASA NTRS2011

Advances in the Lightweight Air-Liquid Composite Heat Exchanger Development for Space Exploration Applications

An advanced, lightweight composite modular Air/Liquid (A/L) Heat Exchanger (HX) Prototype for potential space exploration thermal management applications was successfully designed, manufactured, and tested. This full-scale Prototype consisting of 19 modules, based on recommendations from its predecessor Engineering Development unit (EDU) but with improved thermal characteristics and manufacturability, was 11.2 % lighter than the EDU and achieves potentially a 42.7% weight reduction from the existing state-of-the-art metallic HX demonstrator. However, its higher pressure drop (0.58 psid vs. 0.16 psid of the metal HX) has to be mitigated by foam material optimizations and design modifications including a more systematic air channel design. Scalability of the Prototype design was validated experimentally by comparing manufacturability and performance between the 2-module coupon and the 19-module Prototype. The Prototype utilized the thermally conductive open-cell carbon foam material but with lower density and adopted a novel high-efficiency cooling system with significantly increased heat transfer contact surface areas, improved fabricability and manufacturability compared to the EDU. Even though the Prototype was required to meet both the thermal and the structural specifications, accomplishing the thermal requirement was a higher priority goal for this first version. Overall, the Prototype outperformed both the EDU and the corresponding metal HX, particularly in terms of specific heat transfer, but achieved 93.4% of the target. The next generation Prototype to achieve the specification target, 3,450W would need 24 core modules based on the simple scaling factor. The scale-up Prototype will weigh about 14.7 Kg vs. 21.6 Kg for the metal counterpart. The advancement of this lightweight composite HX development from the original feasibility test coupons to EDU to Prototype is discussed in this paper.

Shin, E. Eugene↗

DOE OSTI2020

Giant momentum-dependent spin splitting in centrosymmetric low-$\textit{Z}$ antiferromagnets

The energy vs crystal momentum $\textit{E(k)}$ diagram for a solid (band structure) constitutes the road map for navigating its optical, magnetic, and transport properties. By selecting crystals with specific atom types, composition, and symmetries, one could design a target band structure and thus desired properties. A particularly attractive outcome would be to design energy bands that are split into spin components with a momentum-dependent splitting, as envisioned by Pekar and Rashba, enabling spintronic application. The current paper provides “design principles” for wave-vector dependent spin splitting (SS) of energy bands that parallel the traditional Dresselhaus and Rashba spin-orbit coupling (SOC)–induced splitting, but originates from a fundamentally different source—antiferromagnetism. Here, we identify a few generic antiferromagnetic (AFM) prototypes with distinct SS patterns using magnetic symmetry design principles. These tools allow also the identification of specific AFM compounds with SS belonging to different prototypes. A specific compound—centrosymmetric tetragonal MnF 2 —is used via density functional band-structure calculations to quantitatively illustrate one type of AFM SS. Unlike the traditional SOC-induced effects restricted to noncentrosymmetric crystals, we show that antiferromagnetic-induced spin splitting broadens the playing field to include even centrosymmetric compounds, and gives SS comparable in magnitude to the best known (“giant’” SOC effects, even without traditional SOC, and consequently does not rely on the often-unstable high atomic number elements required for high SOC. We envision that use of the current design principles to identify an optimal antiferromagnet with spin-split energy bands would be beneficial for efficient spin-charge conversion and spin-orbit torque applications without the burden of requiring compounds containing heavy elements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗