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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 541 records · Page 30

Blending Polyurethane Thermosets Using Dynamic Urethane Exchange

Recycling crosslinked polyurethanes (PUs) is accomplished through mechanical or chemical processes that are energy-intensive or produce plastics of lesser value. Polymer recycling processes are notably intolerant of polymer mixtures, yet the ability to reprocess and compatibilize two or more crosslinked PUs together will make this process more amenable to mixed waste streams while offering an opportunity to tune the properties of the recycled polymer products. Here, we blend a rigid polyester PU and a soft polyether PU using twin-screw extrusion to yield materials with tunable mechanical properties based on the feed composition. Their material properties were compared to those of compression-molded reprocessed blends and blends where the monomers were mixed prior to synthesis. The extruded materials showed similar mechanical and thermal properties to newly prepared blends and had higher-value mechanical properties compared to the samples reprocessed via compression molding. The morphologies of the blends were observed using phase imaging via atomic force microscopy to show that there is less phase separation in the extruded materials compared to compression-molded blends. The mechanical properties of these materials were tunable from soft to elastomeric to rigid based on the feed composition, and this tunability was demonstrated through four consecutive reprocessing cycles, through which the mechanical properties were steadily varied from rigid to soft by incorporating increasing amounts of soft polyether PU material. Here, this blending method for reprocessing mixed waste compatibilizes different PUs and provides a means to tune the mechanical properties of a PU product, even if starting from waste streams of varying compositions. As such, this process represents an intriguing new approach for polymer reprocessing.

Extrusion↗

Effect of toolpath in large-format additive manufacturing with bio-derived composites

There has been growing interest in integrating bio-derived composites into Large-format additive manufacturing (LFAM) feedstocks to reduce the use of petroleum-derived materials and reduce the overall carbon footprint of LFAM. However, these materials present unique challenges during manufacturing due to their variability, which can lead to unintended deformations and failures attributable to suboptimal process conditions. While numerical modelling has been extensively employed to simulate numerous manufacturing processes, its application in LFAM with bio-derived composites remains limited. This study addresses this gap by systematically developing a numerical model to simulate the LFAM process using bio-based materials, specifically wood fiber-reinforced polylactic acid (PLA/WF). Experimental investigations were conducted to characterise the thermal and mechanical properties of additively manufactured PLA/WF specimens. Numerical simulations were performed to predict temperature profiles and deformations during LFAM. The effect of varying infill patterns, internal structures, and tool paths on the temperature distribution and deformation of printed parts was explored using the developed model. This article aims to advance the utilisation of bio-derived composites in LFAM systems and provide a comprehensive understanding of the LFAM process. The findings offer valuable insights for optimising process parameters and enhancing the performance of LFAM with bio-based composites.

Large-format additive manufacturing↗

Advanced Self-Healing Polymer-Cement Composites for Geothermal Wellbore Application at 300 °C

Polymer-cement composites were formulated using two base cements and three polymers and evaluated as potential alternatives to conventional geothermal wellbore cementitious material. To mimic geothermal conditions these cement composites were cured at 300 °C and their mechanical properties, including compressive strength, Young modulus, shear bond strength to steel casing, and self-healing and re-adhering (to steel) capability were tested. To test thermal stability the samples were cured at 300 °C for up to 30 days followed by analysis of their mineralogy and chemical composition by X-ray diffraction spectroscopy (XRD), 13C NMR, and total organic carbon (TOC). These tests showed that all polymer composites formulated were thermally stable as supported by almost 100% TOC of the 300 ?C cured samples and presence of all the polymer signals in 13C NMR permeability tests performed before and after healing a longitudinal fracture base cements and polymer-cement composites gave lower (2nd/1st) permeability ratios with respect to base cements which suggests that introduction polymers result in self-healing composite materials. Curing two of the best performing polymer-cement composites for a period of 30 days at 300 °C maintained the self-healing capability. These advanced polymer-cement composites with higher mechanical stability, ductility and self-healing capability are promising alternatives to wellbore cement materials for geothermal and fossil energy applications.

polymer-cement, composite, wellbore, self-healing,↗

Application of an Empirical Density Law via Python for Aqueous Plutonium Chloride Systems for MCNP6

Criticality safety models for aqueous plutonium chloride systems often contain a significant bias due to assumptions in material compositions. These systems are currently modeled as a fictitious metal-water mixture because little is known about the true solution density. Furthermore, no predictive density tools or capabilities for modeling aqueous plutonium chloride systems are approved for use at Los Alamos National Laboratory. Recent density measurements of this ternary system (PuCl 3 -HCl-H 2 O) have allowed for the development of a more realistic density law, which is applied in this work via an empirical method based in Python. This tool, entitled PuCS (Plutonium Chloride Solution tool) may be used to determine solution density and composition based on the plutonium content, acid content, and temperature for MCNP6 inputs. PuCS has been found to predict density within 2% of experimental data. In conclusion, MCNP6 calculations have found that crediting minimal amounts of free acid (0.5 M) may correspond to a ~12% decrease in peak reactivity in comparison to current modeling methods.

42 ENGINEERING↗

Label-free single-vesicle based surface enhanced Raman spectroscopy: A robust approach for investigating the biomolecular composition of small extracellular vesicles

Small extracellular vesicles (sEVs) are cell-released vesicles ranging from 30-150nm in size. They have garnered increasing attention because of their potential for both the diagnosis and treatment of disease. The diversity of sEVs derives from their biological composition and cargo content. Currently, the isolation of sEV subpopulations is primarily based on bio-physical and affinity-based approaches. Since a standardized definition for sEV subpopulations is yet to be fully established, it is important to further investigate the correlation between the biomolecular composition of sEVs and their physical properties. In this study, we employed a platform combining single-vesicle surface-enhanced Raman spectroscopy (SERS) and machine learning to examine individual sEVs isolated by size-exclusion chromatography (SEC). The biomolecular composition of each vesicle examined was reflected by its corresponding SERS spectral features (biomolecular “fingerprints”), with their roots in the composition of their collective Raman-active bonds. Origins of the SERS spectral features were validated through a comparative analysis between SERS and mass spectrometry (MS). SERS fingerprinting of individual vesicles was effective in overcoming the challenges posed by EV population averaging, allowing for the possibility of analyzing the variations in biomolecular composition between the vesicles of similar and/or different sizes. Using this approach, we uncovered that each of the size-based fractions of sEVs contained particles with predominantly similar SERS spectral features. Indeed, more than 84% of the vesicles residing within a particular group were clearly distinguishable from that of the other EV sub-populations, despite some spectral variations within each sub-population. Our results suggest the possibility that size-based EV fractionation methods produce samples where similarly eluted sEVs are correlated with their respective biochemical contents, as reflected by their SERS spectra. Our findings therefore highlight the possibility that the biogenesis and respective biological functionalities of the various sEV fractions may be inherently different.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A Comparative Study of Imidazolium-Based Ionic Liquid-Single-Walled Carbon Nanotube Composites with Enhanced Conductivity Properties for Supercapacitor Applications

Mixtures of ionic liquids (ILs) containing single-walled carbon nanotubes (SWCNTs) were prepared and characterized to obtain electrolytes with optimized transport properties for use in energy storage devices such as supercapacitors. Imidazolium ILs bearing cations with side chains of different functionality coupled with bis(trifluoromethylsulfonyl)amide (NTf 2- ) or bis(fluorosulfonyl)-amide (FSA-) anions, were used in mixtures containing up to 5 wt% SWCNTs. At and above 2 wt% nanotube loading, the mixtures exhibited higher conductivities than the pure ILs, in spite of the extremely high viscosities. Loadings of 5 wt% produced very high conductivities, and studies of the temperature dependence indicated a change in the charge transport mechanism between 2 and 5 wt% loading. At 5 wt% loading, the highest conductivities (up to 540 mS/cm at 25 °C) were obtained for the ILs containing the NTf 2- anion. Overall, these results can significantly contribute to the development of improved energy storage devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tunable diode laser absorption spectroscopy with corrected laser ramping nonlinearities

A tunable diode laser absorption spectroscopy device includes a tunable diode laser. A laser driver is configured to drive the diode laser and ramp it within a particular frequency range. An analyte gas container, a reference gas container, and a fringe generating device are configured to receive the laser therethrough. An optical detector is configured to detect the laser after it has passed through the analyte gas container and/or the reference gas container, and the in-line fringe generating device. An acquisition card is configured to sample an output of the optical detector. A spectral analyzer is configured to receive output data from the acquisition card, determine a spectrum of the output data, decouple the fringe spectrum from the measured spectrum, calibrate the spectrum based on an expected ideal spectrum of both the fringe and reference gas, and determine a composition of the analyte based on the calibrated spectrum.

42 ENGINEERING↗

Polysiloxane-based objects and 3-dimensional printing method for making the same

Disclosed herein are embodiments of an additively manufactured polysiloxane-based object, as well as composition embodiments for making such object embodiments. Also disclosed are embodiments of a method for making the additively manufactured polysiloxane-based object using the composition embodiments described herein. The disclosed composition embodiments and method embodiments provide objects that are substantially free of contaminants that deleteriously affect structural integrity and that comprise a polymer skeleton consisting of oxygen-silicon bonds wherein the silicon component can further comprise one or more branching groups.

Cluff, Kyle↗

Finite Element Analysis and Machine Learning Guided Design of Carbon Fiber Organosheet-Based Battery Enclosures for Crashworthiness

Carbon fiber composite can be a potential candidate for replacing metal-based battery enclosures of current electric vehicles (E.V.s) owing to its better strength-to-weight ratio and corrosion resistance. However, the strength of carbon fiber-based structures depends on several parameters that should be carefully chosen. Here, in this work, we implemented high throughput finite element analysis (FEA) based thermoforming simulation to virtually manufacture the battery enclosure using different design and processing parameters. Subsequently, we performed virtual crash simulations to mimic a side pole crash to evaluate the crashworthiness of the battery enclosures. This high throughput crash simulation dataset was utilized to build predictive models to understand the crashworthiness of an unknown set. Our machine learning (ML) models showed excellent performance (R 2 > 0.97) in predicting the crashworthiness metrics, i.e., crush load efficiency, absorbed energy, intrusion, and maximum deceleration during a crash. We believe that this FEA-ML work framework will be helpful in down select process parameters for carbon fiber-based component design and can be transferrable to other manufacturing technologies.

36 MATERIALS SCIENCE↗

Al–W gradient density materials—Processing and dynamic ramp compression

Materials with high-density gradients are desired for controlling loading paths in dynamic compression, important for studying material properties in extreme conditions and inertial confinement fusion. The large density difference between Al and W makes them ideal choices for producing gradient density materials, but their extremely different melting temperatures make them challenging to fabricate simultaneously. We report a method for producing Al–W porosity-free materials with a fourfold increase in density (2.7–11 g/cm 3 ) across the composition range, from Al-rich to W-rich, without intermetallic phase formation. This was achieved by understanding the aluminum-dominated densification behavior and examining the influence of pressure and temperature on the densification of Al–W composites. Dynamic compression experiments conducted with the Al–W gradient density material produced shock ramp compressions as expected based on the designed composition, and the performed hydrodynamics simulations showed excellent agreement with experimental results. The results demonstrate that current activated pressure-assisted densification allows for the easy and rapid fabrication of gradient density materials with significant density gradients and tailored compositions, facilitating precise control of the loading paths. These materials have the potential to create customized pressure drives for advancing the fields of material science in extreme environments and dynamic compression.

Alloys↗

Crosslinked functional binders and their use in silicon-containing anodes of lithium-ion batteries

A crosslinked polymer composition comprising: (i) a base polymer containing a multiplicity of at least one type of functional group selected from amino, amido, thiol, carboxylic acid, carboxylic acid ester, and epoxy groups; (ii) a multiplicity of hydroxylated benzene rings covalently linked to the base polymer, wherein each hydroxylated benzene ring contains at least two hydroxy groups, and with at least two of the hydroxy groups on said hydroxylated benzene rings being free as OH groups; and (iii) a multiplicity of crosslinking groups that crosslink at least two of said functional groups in the base polymer. The invention is also directed to lithium-ion batteries in which the above-described composition is incorporated in an electrode of the battery, and also directed to methods of operating a lithium-ion battery in which the above-described crosslinked polymer composition is incorporated in an electrode thereof.

Saito, Tsuguyuki↗

Development of diamond-based diagnostics for next-generation XFELs

The composition and performance of three different diamond sensor based pass-through diagnostics are presented. A position-sensitive quadrant sensor was designed and characterized using the XPP beam at the SLAC LCLS, demonstrating a generated-charge resolution of 0.025 pC and a position sensitivity of 2 μm, measurable pulse-by-pulse at a repetition rate of up to 50 MHz. A compact signal path capable of repetition rates up to 1 GHz was used to characterize the charge collection properties of diamond sensors as a function of the density of electron-hole pairs created within the sensor, finding a limit of approximately 10 16 electron-hole pairs per cm 3 beyond which the collection efficiency and time began to degrade. Finally, a proposed scheme for measuring ionizing radiation at multi-GHz rates is presented, along with results preliminarily demonstrating signal transport capability in excess of 5 GHz.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Iron-based nanoparticles and grains

Example nanoparticles may include an iron-based core, and a shell. The shell may include a non-magnetic, anti-ferromagnetic, or ferrimagnetic material. Example alloy compositions may include an iron-based grain, and a grain boundary. The grain boundary may include a non-magnetic, anti-ferromagnetic, or ferrimagnetic material. Example techniques for forming iron-based core-shell nanoparticles may include depositing a shell on an iron-based core. The depositing may include immersing the iron-based core in a salt composition for a predetermined period of time. The depositing may include milling the iron-based core with a salt composition for a predetermined period of time. Example techniques for treating a composition comprising core-shell nanoparticles may include nitriding the composition.

Wang, Jian-Ping↗

Iron-based nanoparticles and grains

Example nanoparticles may include an iron-based core, and a shell. The shell may include a non-magnetic, anti-ferromagnetic, or ferrimagnetic material. Example alloy compositions may include an iron-based grain, and a grain boundary. The grain boundary may include a non-magnetic, anti-ferromagnetic, or ferrimagnetic material. Example techniques for forming iron-based core-shell nanoparticles may include depositing a shell on an iron-based core. The depositing may include immersing the iron-based core in a salt composition for a predetermined period of time. The depositing may include milling the iron-based core with a salt composition for a predetermined period of time. Example techniques for treating a composition comprising core-shell nanoparticles may include nitriding the composition.

Wang, Jian-Ping↗

Optimizing Piezoelectric Nanocomposites by High‐Throughput Phase‐Field Simulation and Machine Learning

Abstract Piezoelectric nanocomposites with oxide fillers in a polymer matrix combine the merit of high piezoelectric response of the oxides and flexibility as well as biocompatibility of the polymers. Understanding the role of the choice of materials and the filler‐matrix architecture is critical to achieving desired functionality of a composite towards applications in flexible electronics and energy harvest devices. Herein, a high‐throughput phase‐field simulation is conducted to systematically reveal the influence of morphology and spatial orientation of an oxide filler on the piezoelectric, mechanical, and dielectric properties of the piezoelectric nanocomposites. It is discovered that with a constant filler volume fraction, a composite composed of vertical pillars exhibits superior piezoelectric response and electromechanical coupling coefficient as compared to the other geometric configurations. An analytical regression is established from a linear regression‐based machine learning model, which can be employed to predict the performance of nanocomposites filled with oxides with a given set of piezoelectric coefficient, dielectric permittivity, and stiffness. This work not only sheds light on the fundamental mechanism of piezoelectric nanocomposites, but also offers a promising material design strategy for developing high‐performance polymer/inorganic oxide composite‐based wearable electronics.

42 ENGINEERING↗

Mercury Removal from Contaminated Water by Wood-Based Biochar Depends on Natural Organic Matter and Ionic Composition

Biochars can remove potentially toxic elements, such as inorganic mercury [Hg(II)] from contaminated waters. However, their performance in complex water matrices is rarely investigated, and the combined roles of natural organic matter (NOM) and ionic composition in the removal of Hg(II) by biochar remain unclear. Here, we investigate the influence of NOM and major ions such as chloride (Cl – ), nitrate (NO 3 – ), calcium (Ca 2+ ), and sodium (Na + ) on Hg(II) removal by a wood-based biochar (SWP700). Multiple sorption sites containing sulfur (S) were located within the porous SWP700. In the absence of NOM, Hg(II) removal was driven by these sites. Ca 2+ bridging was important in enhancing removal of negatively charged Hg(II)-chloro complexes. In the presence of NOM, formation of soluble Hg-NOM complexes (as seen from speciation calculations), which have limited access to biochar pores, suppressed Hg(II) removal, but Cl – and Ca 2+ could still facilitate it. The ability of Ca 2+ to aggregate NOM, including Hg-NOM complexes, promoted Hg(II) removal from the dissolved fraction (<0.45 μm). Hg(II) removal in the presence of Cl – followed a stepwise mechanism. Weakly bound oxygen functional groups in NOM were outcompeted by Cl – , forming smaller-sized Hg(II)-chloro complexes, which could access additional intraparticle sorption sites. Therein, Cl – was outcompeted by S, which finally immobilized Hg(II) in SWP700 as confirmed by extended X-ray absorption fine structure spectroscopy. We conclude that in NOM containing oxic waters, with relatively high molar ratios of Cl – : NOM and Ca 2+ : NOM, Hg(II) removal can still be effective with SWP700.

54 ENVIRONMENTAL SCIENCES↗

Radiation damage of a two-dimensional carbon fiber composite (CFC)

Carbon fiber composites (CFC) are, among other applications, already in use as low-impedance collimating elements for intercepting TeV-level protons machines, like the CERN Large Hadron Collider. Towards a comprehensive understanding of these materials’ properties and behavior, a series of radiation damage campaigns have been undertaken in order to quantitively investigate the response of AC-150 K CFC to high proton fluences. The CFCs dimensional changes, stability, micro-structural evolution, and structural integrity below and above 5 × 10 20 p/cm 2 fluence threshold were studied. The irradiating particles were protons of kinetic energies in the range of 130–200 MeV. The effects of the irradiation temperature (~90–180°C and 280–500°C) combined with the proton fluence on the dimensional stability and the microstructural evolution of this anisotropic two-dimensional composite structure were studied using precision dilatometry and X-ray diffraction. Our results shed light on the fluence-based limitations for these composite materials. Furthermore, we compare these results with reference unirradiated graphite, and we discuss the similarities and differences in the dimensional changes and post-irradiation annealing properties.

36 MATERIALS SCIENCE↗