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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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At least 253 records · Page 14

Nano-compositional imaging of the lanthanum silicide system at THz wavelengths

Terahertz scattering-type scanning near-field optical microscopy (THz-sSNOM) provides a noninvasive way to probe the low frequency conductivity of materials and to characterize material compositions at the nanoscale. However, the potential capability of atomic compositional analysis with THz nanoscopy remains largely unexplored. Here, we perform THz near-field imaging and spectroscopy on a model rare-earth alloy of lanthanum silicide (La–Si) which is known to exhibit diverse compositional and structural phases. We identify subwavelength spatial variations in conductivity that is manifested as alloy microstructures down to much less than 1 μ m in size and is remarkably distinct from the surface topography of the material. Signal contrasts from the near-field scattering responses enable mapping the local silicon/lanthanum content differences. These observations demonstrate that THz-sSNOM offers a new avenue to investigate the compositional heterogeneity of material phases and their related nanoscale electrical as well as optical properties.

47 OTHER INSTRUMENTATION↗

Malleable Thermosets (Vitrimers) from CO 2 and Plants

Fiber-reinforced composite materials are increasingly used to replace heavy metal components in transportation applications for lightweighting purposes. Polymer matrix materials used in automotive parts, such as epoxies, nylons, and polypropylenes, are almost all produced from fossil fuels. Higher performance thermoset composites are generally not repairable and lower-cost thermoplastic composites do not have enough performance to replace steel. Vitrimers are a new class of polymer materials with long shelf life, low waste in production, ease of processing, and repairability that have the potential to break through the high-cost thermoset/low-performance thermoplastic barrier to vehicle light-weighting. Vitrimers also exhibit easier chemical recyclability than conventional thermosets with reversible chemical crosslinking that enables reprocessing of scrap from production and end of life components. Vitrimers are a new class of engineered plastics that are weldable, repairable and recyclable like thermoplastics but have high mechanical properties like thermosets. Bio-based vitrimers have only recently been reported in the academic and patent literature. These materials represent an unusual opportunity to meet both VTO light-weighting targets for low-density, high performance materials and BETO sustainability targets for value-added high-volume applications of bio-fuel byproducts. Also, PNNL researchers have previously demonstrated a process to convert CO 2 into potential vitrimer precursors. Washington State University (WSU) success in demonstration of bio-based vitrimers and recent steps toward commercialization of petroleum-based vitrimers support the opportunity for PNNL success in development of sustainable vitrimer materials for recyclable, high-performance fiber-reinforced composites for the transportation sectors.

36 MATERIALS SCIENCE↗

Quantitative intramolecular fission in oligoacenes, materials, and methods of use thereof

The present invention provides soluble, stable singlet fission (SF) compounds, compositions, materials, methods of their use, and methods for their preparation that provide efficient intramolecular singlet fission (iSF) and multiple excitons. The SF compound may be a dimer, an oligomer, or a polymer of polyoligoacenes, where for example, the compound achieves a triplet yield reaching about 200% per absorbed photon. In this system, SF does not depend on intermolecular inter-actions. Instead, SF is an intrinsic property of the molecule and therefore occurs independent of intermolecular interactions. Singlet fission has the potential to significantly improve the photocurrent in single junction solar cells and thus raise the Shockley-Queisser power conversion efficiency limit from about 33% to about 46% or greater. Quantitative SF yield at room temperature has only been observed in crystalline solids or aggregates of higher acenes.

36 MATERIALS SCIENCE↗

LightMAT: Continous Fiber Malleable Thermoset Composites with sub-1-minute dwell times; validation of impact performance and evaluation of the efficacy of the compression forming process

Recent major advances in polymer chemistry are enabling a paradigm shift in the area of processing and re-processing/recycling of advanced composite materials. Inexpensive compression molding with short cycle times, traditionally available for thermoplastic composites only, are now possible for the thermoset resins based on polyimine chemistry. Participant will collaborate with the LightMAT consortium Labs ORNL, SNL, and PNNL to non-destructively characterize microscopic structural defects (such as voids and resin-rich areas), and perform high speed impact characterization of its malleable thermoset CFRP's. This work is critical to the validation and adoption of these materials for the automotive market and towards DOE-VTO lightweighting mission objectives.

36 MATERIALS SCIENCE↗

Screening candidate supplementary cementitious materials under standard and accelerated curing through time-series surface resistivity measurements and change-point detection

Time-series surface resistivity (SR) measurements are evaluated as an indicator of pozzolanicity in concretes containing 13 materials of both known and unknown pozzolanicity, under standard and accelerated curing conditions, and the results were validated against portlandite consumption obtained through thermogravimetric analysis. Change-point detection (CPD) analysis is applied to the data to provide a rigorous indicator of hydration age of the onset and rate of the pozzolanic reaction, if occurring. The SR measurements were able to capture the onset of the pozzolanic reactions in concretes curing at elevated temperature regimes, which allows determination of pozzolanicity weeks earlier than at standard curing temperatures. Using CPD along with slope analysis allows a comprehensive analysis of a material's reactivity and determination of pozzolanicity in as quickly as two days. Time-series SR measurements at elevated curing conditions, along with limits on material composition, are recommended for determination of pozzolanic reactivity in novel or variable materials.

36 MATERIALS SCIENCE↗

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↗

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↗

Large-format battery anodes comprising silicon particles

Large-scale anodes containing high weight percentages of silicon suitable for use in lithium-ion energy storage devices and batteries, and methods of manufacturing the same, are described. The anode material described herein can include a film cast on a current collector substrate, with the film including a plurality of active material particles and a conductive polymer membrane coated over the active material particles. In some embodiments, the conductive polymer membrane comprises polyacrylonitrile (PAN). The method of manufacturing the anode material can include preparation of a slurry including the active material particles and the conductive polymer material, casting the slurry on a current collector substrate, and subjecting the composite material to drying and heat treatments.

25 ENERGY STORAGE↗

Large-format battery anodes comprising silicon particles

Large-scale anodes containing high weight percentages of silicon suitable for use in lithium-ion energy storage devices and batteries, and methods of manufacturing the same, are described. The anode material described herein can include a film cast on a current collector substrate, with the film including a plurality of active material particles and a conductive polymer membrane coated over the active material particles. In some embodiments, the conductive polymer membrane comprises polyacrylonitrile (PAN). The method of manufacturing the anode material can include preparation of a slurry including the active material particles and the conductive polymer material, casting the slurry on a current collector substrate, and subjecting the composite material to drying and heat treatments.

Evans, Tyler↗

On the interactions between molten aluminum and high entropy alloy particles during aluminum matrix composite processing

The feasibility of adding AlCrTiV high entropy alloy (HEA) particles to molten aluminum to make metal matrix composites was studied. Equiatomic AlCrTiV HEA particles, produced by a solid state reduction process, were dispersed into pure aluminum and 7075 alloy (Al-5.8Zn-2.3Mg-1.4Cu, all weight %) melt and by a ultrasonic dispenser. It was found that the AlCrTiV particles reacted with molten aluminum, leading to the formation of Al 45 (Cr,V) 7 and Al 3 Ti intermetallic phases in the aluminum matrix composites. Although the AlCrTiV HEA particles did not survive in molten aluminum during composite processing, the final composite materials showed significantly improved mechanical properties, due to grain refinement and dispersion strengthening. Finally, the research suggests that the interactions between matrix aluminum alloys and the particles are key in controlling the final microstructure and properties of the composites.

36 MATERIALS SCIENCE↗

Multi-Functional Smart Structures for Smart Vehicles

This report summarizes the development of a new class of recyclable multi-functional composite materials for production of lightweight smart structures and surfaces. Functional high stiffness conductive composites were processed using molding methods that integrated continuous fiber and additively manufactured features. Methods for integration of sensing functionality and controls were also developed to reduce system cost while providing a new capability for structural health monitoring. This new class of composites is applicable to a broad range of vehicle interior, exterior and battery enclosure systems. By way of demonstration, a vehicle instrument panel cross car beam was developed that provided a 38% mass savings compared to steel while maintaining a cost penalty competitive to alternate lightweight material solutions. These technologies were validated for implementation by a uniquely qualified project team comprising a US automotive OEM, Tier 1 and Tier 2 supplier, with key contributions from Oak Ridge National Lab, Purdue University and Michigan State University.

33 ADVANCED PROPULSION SYSTEMS↗

Methodologies and strategies for detecting fiber orientation in polymeric fiber-reinforced composites

In this review paper different methods and techniques for representing fiber orientation in advanced polymer matrix composites are presented. A description of the effect of fiber orientation on processing, fabrication and mechanical properties of a composite material is presented. The paper discusses the mathematical modeling and modeling techniques for fiber structure representation in polymeric composites, with an emphasis on fiber orientation in a composite part. The paper is divided into two sections; namely—destructive techniques and non-destructive techniques. The capabilities and limitations of each technique with respect to fiber orientation detection and measurements are discussed.

composites↗

Nanomorphology of eco-friendly colloidal inks, relating non-fullerene acceptor surface energy to structure formation

Nanoengineered, eco-friendly, solution-processable electroactive materials are in demand for the growing field of printed electronics, and these material requirements can be achieved by the development of waterborne colloidal dispersions. Functionality in these composite materials can be tuned by thermodynamically modifying the material nanomorphology, often by creation of kinetically stabilized aqueous nanoparticle dispersions. In this work we demonstrate that the internal structure of organic nanoparticles is controlled by the surface energy difference between the polymeric donor material and the non-fullerene acceptor (NFA) material. Nanoparticles of the following donor–acceptor combinations, suitable for printed organic photovoltaics, have been synthesized: TQ1:N2200, TQ1:PNDIT10, P3HT:N2200, P3HT:o-IDTBR and P3HT:eh-IDTBR. Advanced synchrotron-based X-ray spectroscopy and microscopy are used to correlate the formation of core–shell nanoparticle morphology to the material surface energy. We subsequently present a viable avenue for customizing the blended nanoparticle structure into (i) core–shell, (ii) molecularly intermixed, or (iii) inverted shell–core structures. Our results showed that TQ1:PNDIT10 and P3HT:o-IDTBR nanoparticles were comprised of a donor-rich shell and an NFA-rich core, however, interestingly we show a reversal to the inverse NFA shell/donor core structure for TQ1:N2200, P3HT:N2200 and P3HT:eh-IDTBR nanoparticles, driven by the low surface energy of N2200 (23.7 mJ m –2 ) and eh-IDTBR (18.3 mJ m –2 ). This article is the first report of a flipped nanoparticle core–shell morphology comprising an NFA-rich shell for the miniemulsion synthesis route. The composition of the shells and cores was able to be controlled by the differential mismatch in the surface energy of the donor and acceptor materials, with ΔG surface > 0, ΔG surface = 0, and ΔG surface < 0 for acceptor core–donor shell, molecularly intermixed, and acceptor shell–donor core, respectively. Accordingly, we introduce an entirely overlooked new figure of merit (FoM) for customizing nanoparticulate colloidal inks: tunable surface energy of non-fullerene-based semiconductors. Finally, the establishment of this FoM opens up electroactive material design to a wide range of functional printing applications with varying device and ink structure requirements, thereby reshaping the nanoengineering toolkit for waterborne colloidal dispersions and hence printed electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Energetic Materials

Energetic materials comprise explosives, pyrotechnics, and propellants. The science of energetic materials is dedicated to developing a means to predict performance and safety characteristics with high fidelity. This is a particular challenge and is predicated on materials science and engineering, physics, chemistry, and dynamic response in extreme conditions. Fundamental elements of these complicated composite materials remain grand challenges—from the design of high-energy metastable molecules, to the engineering of composite formulations, to the processing parameters that link to safety and performance characteristics in as-yet undetermined ways. Key elements include crystalline mechanics, grain dynamics, multiphase interfaces, thermal and mechanical damage, and failure—all linked to multistep and high-rate chemistry and shock physics. A future revolution in our understanding and predictive capability for energetic materials behavior and responses is dependent upon sustained focus and advances in materials research and development.

36 MATERIALS SCIENCE↗

Exploring pressure-dependent inelastic deformation and failure in bonded granular composites: An energetic materials perspective

In polymer-filled granular composites, damage may develop in mechanical loading prior to material failure. Damage mechanisms such as microcracking or plastic deformation in the binder phase can substantially alter the material’s mesostructure. For energetic materials, such as solid propellants and plastic bonded explosives, these mesostructural changes can have far reaching effects including degraded mechanical properties, potentially increased sensitivity to further insults, and changes in expected performance. Unfortunately, predicting damage is nontrivial due to the complex nature of these composites and the entangled interactions between inelastic mechanisms. In this work, we assess the current literature of experimental knowledge, focusing on the pressure-dependent shear response, and propose a simple simulation framework of bonded particles to study four limiting-case material formulations at both meso- and macro-scales. Further, to construct the four cases, we systematically vary the relative interfacial strength between the polymer binder and granular filler phase and also vary the polymer’s glass transition temperature relative to operating temperature which determines how much the binder can plastically deform. These simulations identify key trends in global mechanical response, such as the emergence of strain hardening or softening regimes with increasing pressure which qualitatively resemble experimental results. By quantifying the activation of different inelastic mechanisms, such as bonds breaking and plastically straining, we identify when each mechanism becomes relevant and provide insight into potential origins for changes in mechanical responses. The locations of broken bonds are also used to define larger, mesoscopic cracks to test various metrics of damage. We primarily focus on triaxial compression, but also test the opposite case of triaxial extension to highlight the impact of Lode angle on mechanical behavior.

36 MATERIALS SCIENCE↗

Solid Phase Gradient Alloying Method via ShAPE

Alloying has been used to confer desirable properties to various metallic systems since the bronze age. For example, Ni, Mn, and Cr are alloyed into an Fe matrix to make steel, which has improved strength and corrosion resistance (as displayed in Fig. 1). In addition to the type of alloying elements, the amount of alloying elements added into a matrix is also very critical for a material’s mechanical property, physical property, machinability, and cost. Conventionally, new alloys are discovered by combining alloy precursors and elemental constituents into a mixture and melting them together. The solidified product or ingot represents a usually non-homogeneous combination of the chemistry with a microstructure dictated by the physics of solidification. It is time and energy intensive to optimize the alloying amounts via the casting process and hence, economically not conducive to rapid alloy discovery. In addition, the cast microstructure seen in the as-cast ingot is often not the ideal, nor even desired structure for optimized performance. Cast materials often need further processing such as homogenization, annealing, and deformation work put in through rolling, forging, extruding, etc. to have favorable microstructures and properties. A faster method to discover new alloy combinations and evaluate them in their worked or processed form is needed. Recently, Laser Engineered Net Shaping was applied to fabricate gradient compositional material for alloy designing. However, the mechanical properties of this gradient alloy were poor due to the existence of impurities, oxidation and cracks that are inherent in the melt-solidification process. Because of these limitations, we propose to use a solid-phase process (ShAPE) to create bulk materials (extrudates) that vary in composition from one end of the extruded solid to the other. Various manufacturing methods for alloy design including conventional casting method, laser based combinatorial method and current solid phase gradient alloying method are displayed and compared in Fig. 2. ShAPE machine and a schematic of ShAPE process are displayed in Fig. 3. Starting material is processed by a rotating and plunging die to form an extrudate. We are proposing through this methodology to invent a new, bulk-scale combinatorial technique. With this novel technique, alloying element can be dissolved into the matrix with a continued gradient without bulk melting. Formation of inter-metallics and defects originating from melt processing can be avoided. In addition, the ShAPE process creates the mixed alloy chemistry, and meanwhile subjects the material to severe plastic strain, which induces the favorable “worked” microstructure. Products from the ShAPE process can be tested in hardness directly providing a path to rapid evaluation of mechanical properties. The ability to create graded structures using friction stir processing (FSP) has been demonstrated, however using the ShAPE process we believe will lead to much faster and higher fidelity results. When combined with high throughput screening methods of physical, mechanical and microstructural property characterization, efficiency and accuracy of alloy design can be significantly improved.

36 MATERIALS SCIENCE↗

Tritium Effects on Aromatic Carbon–Loaded Polymers

By incorporating carbon nanotubes (CNTs) and graphene nanomaterials with aromatic sp2 carbon structures, we have specifically tuned filled ethylene propylene diene monomer elastomer (EPDM) seal and gasket composite materials for radiation resistance. Our results show that CNTs and graphene have an increased ability to stabilize the EPDM matrix compared to standard carbon black (CB) as a radiation-resistant filler. Here, graphene outperforms both CNT and CB fillers when considering surface damage under conditions where beta exposure is an issue. Both graphene and CNT fillers offer significantly reduced changes in glass transition temperature under prolonged exposure to tritium compared to CB-filled standards, with a 2.5-fold and almost 5-fold reduction, respectively. Thus, CNT- and graphene-filled O-ring materials could be designed that would maintain acceptable seals significantly longer than currently used composites.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development of Quantum Computing Interconnect Based on Aerosol Jet Printing and Electrochemical Deposition of Rhenium

The electrodeposition of rhenium on to a metal seed layer on flexible substrates is presented as a means to creating superconducting flexible cable connectors in an enabling plug-and-play approach for quantum computing. Cryogenic quantum electronics are currently connected using masses of stainless-steel coaxial cables that are bulky, rigid - both in form and design - and lead to significant joule heating, thermal noise, and cross talk. Here, we present an unprecedented approach to integrate an aerosol jet printed (AJP) metal seed layer with rhenium electrodeposition on a flexible substrate in the advancement of superconducting interconnect technologies. Silver and gold were printed using the ‘Nanojet’ aerosol jet printer on Kapton films. Adhesion of gold was found to be far superior to that of silver and adhesion on roughened Kapton surpassed that of its smooth counterpart. Electrodeposition of rhenium was successful on both silver and gold and an amorphous Re film was confirmed by XRD. Results for both materials are presented however due to the poor adhesion of silver to Kapton it was ruled out as a viable candidate. Composite materials were characterized by profilometry, EDS, XRD and FIBSEM. Electrical measurements of the composite at ambient temperature showed a critical temperature (T c ), where the resistance drops to 0, of 5.8 K, well above 4.2 K, the temperature of liquid helium. Stress-strain tests of the Ag-Re and Au-Re composites on roughened and smooth Kapton were completed. Cyclic flexure testing (200 cycles) to 1.25% strain showed smooth Kapton samples reach a stress of ~16 MPa, while Kapton roughened with sandpaper, reaches ~20MPa of stress for the same 1.25% strain.

36 MATERIALS SCIENCE↗