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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Multiphysics Simulations of Thermal Shock Testing of Nanofibrous High Power Targets

Increase of primary beam power for neutrino beam-lines leads to a reduced lifespan for production targets. New concepts for robust targets are emerging from the field of High Power Targetry (HPT); one idea being investigated by the HPT R&D Group at Fermilab is an electrospun nanofiber target. As part of their evaluation, samples with different densities were sent to the HiRadMat facility at CERN for thermal shock tests. The samples with the higher density, irradiated under a high intensity beam pulse, exhibit major damage at the impact site whereas those with the lower density show no apparent damage. The exact cause of this failure was unclear at the time. In this paper, we present the results of multiphysics simulations of the thermal shock experienced by the nanofiber targets that suggest the failure originates from the reduced permeability of the high density sample to air flow. The air present in the porous target expands due to heating from the beam, but is unable to flow freely in the high density sample, resulting in a larger back pressure that blows apart the nanofiber mat. We close with a discussion on how to further validate this hypothesis.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Bayesian optimization scheme for the design of a nanofibrous high power target

High Power Targetry (HPT) R&D is critical in the context of increasing beam intensity and energy for next generation accelerators. Many target concepts and novel materials are being developed and tested for their ability to withstand extreme beam environments; the HPT R&D Group at Fermilab is developing an electrospun nanofiber material for this purpose. The performance of these nanofiber targets is sensitive to their construction parameters, such as the packing density of the fibers. Lowering the density improves the survival of the target, but reduces the secondary particle yield. Optimizing the lifetime and production efficiency of the target poses an interesting design problem, and in this paper we study the applicability of Bayesian optimization to its solution. We first describe how to encode the nanofiber target design problem as the optimization of an objective function, and how to evaluate that function with computer simulations. We then explain the optimization loop setup. Thereafter, we present the optimal design parameters suggested by the algorithm, and close with discussions of limitations and future refinements.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Carbon Electrodes from Powder River Basin Coal Development of Competitive Supercapacitor Electrodes of Diverse Compositions from Coal Extract

Recent demand for coal as a thermal energy source has decreased significantly and will likely continue to decrease as renewable sources of energy become more available and environmental concern and cost from burning coal makes it more costly than renewables. Given that Powder River Basin (PRB) coal in Wyoming has relatively low thermal energy, it is critical for Wyoming to employ coal in other capacities at the current energy transition period in history. Among many potential non-thermal applications, PRB coal can be utilized for membrane and electrode applications through the formation of carbon fibers. Coal-derived membranes can become low-cost, conductive membranes for use in electrodialysis separation processes. Carbon fiber derived electrodes have been shown be a cost-effective alternative to typical electrode materials that can meet or exceed the performance of current carbon electrode materials. In this talk, we demonstrate the manufacture of supercapacitor electrodes from Powder River Basin (PRB) coal-derived precursors. Specifically, PRB coal was treated in cheap solvents, partitioned into liquid extract and solid residue. An electropinning process has been developed that can convert either the liquid extract or the solid residue into carbon fiber mats. The electrospinning process is versatile with many tunable process parameters to achieve desirable physiochemical properties. For example, the coal residue can be manipulated by additional heat treatment, or by adding binders, salts, or surfactants to create a solution that can be electrospun into advanced carbon electrodes with desirable structural and surface properties. Similarly, some of the liquid extract (tar fraction) can be subsequently reacted with toluene diisocyanate to create resinous coal-derived polyurethane (PUs) as a spinnable ink. Carbon nanofiber mats made from our proprietary electrospinning process were further carbonized at temperature ranging from 700°C to 900°C before they are used as electrodes in supercapacitors. Galvanostatic charge-discharge (GCD) results show that the best performing PU fiber mats can deliver a specific capacitance of 604 F g -1 at the current density of 1 A g -1 . A carbon fiber mat from a different solvent extraction residue also delivered the specific capacitance of 508 F g -1 . These specific capacitance values are comparable to or better than commercial activated carbons, demonstrating the viability of manufacturing carbon nanofiber electrodes from coal without the use of a commercial polymer as binder in the spinning ink.

Cincotta, Robert↗
DOE OSTI2024

Novel Materials R&D for Next-Generation Accelerator Target Facilities

High-Entropy Alloys and Electrospun Nanofiber materials are two novel classes of materials that can offer improved resistance to beam-induced radiation damage and thermal shock. Research to develop these new materials specifically for multi-megawatt accelerator target applications, such as beam windows and particle-production targets, has recently begun. The research program will combine in-beam experiments with complementary simulations to tailor the microstructures of these novel materials for use in next-generation accelerator target facilities. Iterative simulations to optimize the material composition, physics performance and beam-induced thermomechanical response will guide the material design and fabrication processes based on established figures of merit. Ensuing material irradiation experiments using low-energy ions and prototypic high-energy protons, followed by extensive post-irradiation material characterization, will then assess and qualify the selected novel materials. This talk will provide an overview of the novel materials development research program initiated at Fermilab through my DOE Early Career Research Program award.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Fuel Cell Membrane Electrode Assemblies with Ultra-Low Pt Nanofiber Electrodes (Final Report)

H 2 /air fuel cell membrane-electrode-assemblies (MEAs) were fabricated with electrospun particle/polymer nanofiber mat cathodes (0.1 mg Pt /cm 2 or 0.2 mg Pt /cm 2 Pt/C, PtCo/C or PtNi/C) and anodes (0.1 mg/cm 2 Pt/C), where the binder was a mixture of acid-form perfluorosulfonic acid ionomer (e.g., Nafion™) and poly(acrylic acid) (PAA) carrier polymer or sodium-form PFSA with a carrier polymer of either PAA or polyethylene oxide (PEO). For the latter two cases, the water-soluble carrier was removed from the fibers after electrospinning. MEAs with Pt/C anode/cathode catalyst loadings of 0.1 mg Pt /cm2 each, an 1100 EW PFSA binder (Nafion™ dispersion), and a Nafion 211 membrane produced high power at both high and low relative humidity (RH) conditions, e.g., a maximum power density of 919 mW/cm 2 at 100% RH and 832 mW/cm 2 at 40% RH for a test at 80 °C and 200 kPa abs . The high power at low RH was attributed to nm-size pores within the fibers that trap water via capillary condensation thus maintaining a high proton conductivity of the PFSA binder in the cathode and especially the anode while minimizing/eliminating ionic isolation of catalyst particles in low water content, poorly conductive binder. At the same time, micro-porosity between fibers in the cathode allows for fast removal of electrogenerated water, thus minimizing cathode flooding. Nanofiber MEAs with Pt alloy catalyst cathodes also performed well, where a fibrous PtCo/C catalyst cathode at a loading of 0.1 mg/cm 2 produced 20% more power than a conventional powder cathode MEA, e.g., a maximum power density of 1,045 mW/cm 2 vs. 869 mW/cm 2 at 80 °C, 100% RH, and 200 kPa abs , and a PtNi/C fiber cathode MEAs prepared with Na+-form Nafion + PEO generated a maximum power of 820 mW/cm 2 at 40% RH. Fiber electrode MEAs with a neat Nafion binder (prepared from Na+-form Nafion + PEO or PAA) where the cathode Pt loading was ~0.1 mg/cm 2 exhibited a 25% loss in maximum power at 30,000 metal dissolution cycles, as compared to a 12% loss when the cathode binder was H+-form Nafion + PAA. The performance of a fiber mat electrode MEA with Pt/C catalyst (0.2 mg/cm 2 cathode loading and 0.1 mg/cm 2 anode loading) was excellent. At 80 oC and 200 kPa abs , the maximum power density was 1104 mW/cm 2 . The maximum power was independent of feed gas humidity for 40 < RH < 100%. The power loss after a metal dissolution AST (30,000 voltage cycles) was only 13%.

08 HYDROGEN↗
DOE OSTI2024

Novel Materials R&D for Next-Generation Accelerator Target Facilities

High-Entropy Alloys and Electrospun Nanofiber materials are two classes of novel materials that can offer improved resistance to beam-induced radiation damage and thermal shock. Research to develop these new materials specifically for multi-megawatt accelerator target applications, such as beam windows and particle-production targets, are ongoing at Fermilab within the scope of a DOE Early Career Research Program. The research program combines in-beam experiments with complementary simulations to tailor the microstructures of these novel materials for use in next-generation accelerator target facilities. Iterative simulations to optimize the material composition, physics performance, and beam-induced thermomechanical response will guide the material design and fabrication processes based on established figures of merit. This will be followed by material irradiation experiments using low-energy ions and prototypic high-energy protons with extensive post-irradiation material characterization to assess and qualify the selected novel materials. This talk will describe the alloy design and synthesis, microstructural pre-characterization of the alloys, and plans for the eventual down selection following low-energy ion irradiation studies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Abstract for CRADA between National Energy Technology Laboratory and Elysia LLC

The National Energy Technology Laboratory (NETL) and Elysia Labs LLC are embarking on a collaborative project to develop and evaluate a low-cost, high-performance carbon dioxide capture process for the burgeoning Direct Air Capture (DAC) industry. The partnership will focus on developing an electrospun fiber based air contactor that promises higher efficiency and lower costs to set a new standard in the DAC field. The expected outcomes of this collaboration include the creation of a DAC contactor that significantly outperforms existing technologies in cost, capacity, cycle time, regeneration energy, and durability. This project is a result of an awarded project from the Department of Energy’s Direct Air Capture Pre-Commercialization Technology Prize.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Multiphysics Simulations of Thermal Shock Testing of Nanofibrous High Power Targets

Increase of primary beam power for neutrino beam-lines leads to a reduced lifespan for production targets. The field of High Power Targetry (HPT) is generating new concepts to meet the need for robust targets. One idea being investigated by the HPT Research and Development Group at Fermilab is an electrospun nanofiber target. As part of their evaluation, samples with different densities were sent to the HiRadMat facility at CERN for thermal shock tests. The samples with the higher density, irradiated under a high intensity beam pulse, exhibit major damages at the impact site whereas those with the lower density show no apparent damages. The exact cause of this failure was unclear at the time. In this paper, we present the results of multiphysics simulations of the thermal shock experienced by the nanofiber targets that suggest the failure originates from the reduced permeability of the high density sample to airflow. The air present in the porous target expands due to heating from the beam, but is unable to flow freely in the high density sample, resulting in a larger back pressure that blows apart the mat. We close with a discussion on how to further validate this hypothesis.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Bayesian Optimization Scheme for the Design of a Nanofibrous High Power Target

High Power Targetry (HPT) R\&D is critical in the context of increasing beam intensity and energy for next generation accelerators. Many target concepts and novel materials are being developed and tested for their ability to withstand extreme beam environments; the HPT R\&D Group at Fermilab is developing an electrospun nanofiber material for this purpose. The performance of these nanofiber targets is sensitive to their construction parameters, such as the packing density of the fibers. Lowering the density improves the survival of the target, but reduces the secondary particle yield. Optimizing the lifetime and production efficiency of the target poses an interesting design problem, and in this paper we study the applicability of Bayesian optimization to its solution. We first describe how to encode the nanofiber target design problem as the optimization of an objective function, and how to evaluate that function with computer simulations. We then explain the optimization loop setup. Thereafter, we present the optimal design parameters suggested by the algorithm, and close with discussions of limitations and future refinements.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

High-Power Targetry R&D for Next-Generation Accelerator Target Facilities

Beam-intercepting devices such as beam windows and particle-production targets are critical components of accelerator target facilities for High Energy Physics (HEP) experiments. The high-power, pulsed structure of the particle beams used for these experiments leads to thermal shock and high-cycle fatigue in addition to radiation damage resulting from the accumulated particle fluence. This can lead to degradation of the target system s mechanical and thermal properties; considerably reducing their lifetimes and presenting substantial challenges to reliable operation of multi-MW class facilities. Recently several major accelerator facilities have been forced to operate at reduced power levels due to target survivability concerns. Furthermore, at Fermilab it is planned to increase the neutrino production beam power up to 2.4 MW in coming years. Therefore, timely R&D on the irradiated behavior of target system materials is critical to efficient operation of accelerator facilities and full utilization of recent accelerator power upgrades for HEP research. This talk will begin with an overview of high-power targetry, and the significant challenges presented by beam power increases expected for future HEP experiments. We will then cover several past materials irradiation studies that have been completed by the High-Power Targetry R&D group at Fermilab and its collaborators on common accelerator and target materials such as graphite, beryllium, titanium, and tungsten. Finally, we will conclude with a discussion of two novel materials investigations under way within the group; high-entropy alloys for beam window applications, and electrospun nanofibers to serve as particle production targets.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Multiphysics Simulations of Nanofibrous High Power Targets for the Inference of Failure Modes

Fermilab s High Power Targetry Research and Development (HPT R&D) group have been developing and studying an electrospun nanofiber target concept to support the need for robust targets in future fixed target facilities. These nanofiber mats have demonstrated resistance to radiation damage, and the free motion of the individual fibers is expected to mitigate the cyclic stresses induced by a pulsed, high-power beam. To evaluate the efficacy of this concept, nanofiber mat samples have been sent by the HPT R&D group to the HiRadMat facility at CERN for prototypic thermal shock testing; the outcomes of these experiments show that the survivability of a nanofiber target depends on its construction parameters, in particular the packing density of the fibers. Samples with higher packing densities have consistently been destroyed by exposure to the HiRadMat beam, with a hole at the beam center visible, and layers of nanofibers peeled away from the center hole, whereas samples with lower densities have survived with limited damage. The exact reason for the failure of the higher density targets was unclear at the time of the original experiments, but the results of our recent multiphysics simulations which recreate the experiments support the hypothesis that the expansion and pressurization of the air inside the target after being heated by the pulsed beam is the cause; in a high density nanofiber mat, the motion of air through the pores of the mat is much more restricted, and induces a larger pressure on the fibers, blowing the mat apart. In this talk, we ll share the results of these simulations and discuss how they support this hypothesis.

Asztalos, Will↗
DOE OSTI2026

Formation of Non-Doped Cubic Lithium Lanthanum Zirconium Oxide Nanofibers: Insights from In Situ Synchrotron X-Ray Scattering

This study investigates the formation mechanism of non-doped cubic lithium lanthanum zirconium oxide (c-LLZO) nanofibers using in situ synchrotron X-ray scattering techniques. Electrospun polymer precursor nanofibers were annealed at temperatures up to 800 °C, enabling real-time tracking of phase transitions via simultaneous small-angle X-ray scattering (SAXS), wide-angle X-ray scattering (WAXS), and evolved CO 2 gas analysis. The results reveal a three-step transformation pathway: polymer decomposition, formation of La 2 Zr 2 O 7 (LZO), and direct conversion of LZO to c-LLZO without intermediate tetragonal phases detected within the sensitivity of our in situ WAXS measurement. Cryo-electron energy loss spectroscopy (EELS) further elucidates the role of lithium diffusion, showing Li enrichment at fiber surfaces and Li deficiency in the interior, which stabilizes the cubic phase. This Li segregation effect in nanostructured LLZO materials extends beyond the previously reported size effect. This work advances the understanding of c-LLZO formation mechanisms and provides practical insights for optimizing synthesis routes to achieve phase-pure c-LLZO for solid-state battery applications.

LLZO phase stability↗
DOE OSTI2020

Polybenzimidazole-Based Polymer Electrolyte Membranes for High-Temperature Fuel Cells: Current Status and Prospects

Polymer electrolyte membrane fuel cells (PEMFCs) expect a promising future in addressing the major problems associated with production and consumption of renewable energies and meeting the future societal and environmental needs. Design and fabrication of new proton exchange membranes (PEMs) with high proton conductivity and durability is crucial to overcome the drawbacks of the present PEMs. Acid-doped polybenzimidazoles (PBIs) carry high proton conductivity and long-term thermal, chemical, and structural stabilities are recognized as the suited polymeric materials for next-generation PEMs of high-temperature fuel cells in place of Nafion® membranes. This paper aims to review the recent developments in acid-doped PBI-based PEMs for use in PEMFCs. The structures and proton conductivity of a variety of acid-doped PBI-based PEMs are discussed. More recent development in PBI-based electrospun nanofiber PEMs is also considered. The electrochemical performance of PBI-based PEMs in PEMFCs and new trends in the optimization of acid-doped PBIs are explored.

25 ENERGY STORAGE↗
DOE OSTI2025

Rapid and Ultrasensitive Short-Chain PFAS (GenX) Detection in Water via Surface-Enhanced Raman Spectroscopy with a Hierarchical Nanofibrous Substrate

GenX, the trade name of hexafluoropropylene oxide dimer acid (HFPO-DA) and its ammonium salt, is a short-chain PFAS that has emerged as a substitute for the legacy PFAS perfluorooctanoic acid (PFOA). However, GenX has turned out to be more toxic than people originally thought. In order to monitor and regulate water quality according to recently issued drinking water standards for GenX, rapid and ultrasensitive detection of GenX is urgently needed. For the first time, this study reports ultrasensitive (as low as 1 part per billion (ppb)) and fast detection (in minutes) of GenX in water via surface-enhanced Raman spectroscopy (SERS) using a hierarchical nanofibrous SERS substrate, which was prepared by assembling ~60 nm Ag nanoparticles on electrospun nylon-6 nanofibers through a “hot start” method. The findings in this research highlight the potential of the engineered hierarchical nanofibrous SERS substrate for enhanced detection of short-chain PFASs in water, contributing to the improvement of environmental monitoring and management strategies for PFASs.

Ismail, Ali K. (ORCID:0009000005987973)↗
DOE OSTI2024

Process Optimization of Carbon Electrode Materials Manufacturing by Experimental Study and Machine Learning Techniques

Electrospun carbon fibers from coal have been investigated as electrodes for batteries and supercapacitors. Despite the excellent properties of coal-derived carbon fibers (CCNF) for energy storage devices, there still lacks systematic understanding on how various process parameters affect final electrode performances, which poses challenges to scale from pilot to high volume manufacturing. The goals of this project are twofold. First, we focuse on process optimization for converting a new precursor from powder river basin (PRB) coal, referred to as coal-based polyurethane (CPU) to CCNF using electrospinning. Second, different machine learning techniques will be examined using experimental data from this work and open literature. Specifically, for CPU the following process parameters need to be characterized and optimized in order to produce CCNFs with desirable mechanical integrity and physiochemical properties: precursor composition and viscosity, operating voltage and distance, oxidation and carbonization temperature and duration. Consequently, physiochemical properties of the fibers were characterized to correlate these process parameters with desirable electrochemical performance. Given the complex nature of the fiber production process, ML models are assessed for their ability to capture the nonlinear relationship between process parameters and the electrochemical properties in applications including supercapacitors. As such, we applied various machine learning techniques, to determine which technique produces a model that best predicts device function.

Cincotta, Robert E.F.↗
DOE OSTI2024

Giant piezoelectricity in fluoropolymer fiber mats achieved by corona poling in water

Polymer piezoelectrics hold great potential for energy harvesting and wearable electronics. Efforts have been dedicated to enhancing piezoelectric coefficients and thermostability for several decades, but most of these have not been successful. In this report, we demonstrate a straightforward way to achieve high piezoelectric coefficients and output voltages while maintaining high thermostability at temperatures over 110 °C. Poly(vinylidene fluoride-co-trifluoroethylene) [P(VDF-TrFE)] 80/20 mol.% nanofiber mats (made by electrospinning) with extremely high crystallinity and Curie temperatures were obtained via a two-step annealing process, from which large ferroelectric domains were formed in extended-chain crystals. After corona poling using water, which is a high dielectric constant medium, giant piezoelectricity (apparent d 33 = 1045 ± 20 pC/N) and high output voltages (29.9 ± 0.5 V) were achieved. It is found that the dimensional effect induced significant polarization changes, which is the key requirement for piezoelectricity. Our finding in this work paves a way to further improve high-performance polymer piezoelectrics.

36 MATERIALS SCIENCE↗