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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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114 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Interfacial Strength in Hierarchical Carbon Fiber Composites: Interplay of Interphase Modulus and Roughness

A facile, direct deposition approach that exploits van der Waals interactions between carbonaceous materials is utilized to create unidirectional hybrid carbon fiber composites. Two small molecule crosslinkers, a trifunctional aromatic (TL) and a difunctional aliphatic (DL) acyl chloride, are first utilized to create a crosslinked interphase with a softer and stiffer modulus respectively. TL crosslinked interphase with a higher modulus improved the tensile strength by 50%, despite non-covalent linking between fiber and matrix, elucidating the critical role of the interphase in alleviating modulus mismatch between the high modulus carbon fiber and the rubbery matrix. Fractional quantities of carbon nanotubes are additionally dispersed in the small molecule crosslinkers which behaved as a dispersant, helping introduce nanoasperities on the carbon fiber surface. Strong “pi-pi” interactions between CNTs and CF contributed to tensile properties, which are increased by 66% compared to the control. A cohesive zone model suggests that a stiffer interphase is better able to exploit surface heterogeneities and roughness on the fiber, synergistically enhancing interfacial strength.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mechanical Design Guidelines to Inhibit Fracture in Perovskite Solar Cells

Perovskite (PVSK) solar cells offer significant benefits over conventional silicon cells including low-cost solution processibility, minimal materials usage related to strong photon absorption in thin-film cell architectures, and a tunable bandgap. However, PVSK films are mechanically fragile, and fracture of PVSK layers and adjacent interfaces are a significant concern during fabrication, encapsulation, and operation. Herein, a thin-film mechanics fracture analysis tailored for p–i–n and n–i–p PVSK solar cells on both soda lime glass and polyimide substrates fabricated with three PVSK crystallization methods is presented. Here, the role of thermal processing of each cell layer is explored to determine the maximum allowable temperature below which fracture is inhibited. In the analysis, the mechanics basis for processing and materials selection guidelines for preventing fracture in PVSK solar cells is provided.

adhesion↗
DOE OSTI2021

Fracture properties and microstructure formation of hardened alkali-activated slag/fly ash pastes

This study presents a comprehensive experimental investigation on the fracture properties of hardened alkali-activated slag/fly ash (AASF) pastes in relation to the microstructure formation and reaction product composition. The main reaction product in AASF is C-(N-)A-S-H gel along with minor hydrotalcite phase, with the polymerization of C-(N-)A-S-H gel substantially governed by its Ca/Si ratio. Strong positive correlations are identified between the Ca/Si ratios of C-(N-)A-S-H gel and the fracture properties K{sub Ic} (J{sub tip}), whereas, the compressive strength of AASF pastes is primarily determined by its capillary porosity (>0.01 μm). The disagreements between the Ca/Si ratios and corresponding intrinsic mechanical properties of C-(N-)A-S-H gel as proof by contradiction indicate that the fracture properties K{sub Ic} (J{sub tip}) of AASF pastes could be dominated by a cohesion/adhesion-based mechanism. These findings provide promising guidance for fine-tuning the fracture properties of AASF and also advise on the tailoring strategies for high-performance composite such as strain-hardening geopolymer composite.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ionic Liquid Facilitated Solvent‐Phase Polymerization of Ultrasmooth Coatings of Polycatecholamines

Mussel-inspired polycatecholamine coatings and films have proven to be versatile materials for surface modification. However, the progress of chemically modified coatings with tailored properties has been slow due to the lack of definitive evidence of their polymeric structure. Polycatecholamines form aggregates during polymerization, and their formation mechanism has been a subject of debate owing to their insolubility in traditional molecular solvents. Exploiting the capability of ionic liquids (ILs) to exhibit strong electrostatic interactions, herein, the first solution-phase polymerization approach is reported to achieve polymerization of four catecholamines – dopamine (DA), norepinephrine (NE), L-3,4-dihydroxyphenylalanine (L-DOPA), and adrenaline (AD). Kinetic control over the polymerization process in the solution phase enabled it to follow the process with 1 H NMR spectroscopy, revealing the formation of structural features of resulting complex heterogeneous and soluble polymers. The polymers are both covalent and associative in nature. Solution phase polymerization prevented the formation of large aggregates in the solution, thus facilitating the formation of coatings that are ultra-smooth and have root mean square roughness of the order of sub-nm to nm scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Effects of Microbial-Mineral Interactions on Organic Carbon Stabilization in a Ponderosa Pine Root Zone: A Micro-Scale Approach

Soil microbial communities affect the formation of micro-scale mineral-associated organic matter (MAOM) where complex processes, including adhesion, aggregate formation, microbial mineral weathering and soil organic matter stabilization occur in a narrow zone of large biogeochemical gradients. Here we designed a field study to examine carbon stabilization mechanisms by using in-growth mesh bags containing biotite that were placed in a ponderosa pine root zone for 6 months and compared to the surrounding bulk soil. We sought to determine the composition of the microbial community in the mesh bags compared to the surrounding soils, analyze the direct interactions between microbes and biotite, and finally identify the nature of the newly formed MAOM within the mesh-bags. Our results revealed that minerals in the mesh bags were colonized by a microbial community that produced organic matter in situ. The 16S rRNA gene sequencing and ITS2 region characterization showed phylogenetic similarity between the mesh bag and bulk soil archaea/bacteria and fungi microbiomes, with significant differences in alpha- and beta-diversity and species abundances. Organic matter pools in the mesh bags, analyzed by Fourier transform ion cyclotron resonance mass spectrometry, contained protein- (peptides) and lipid-like compounds while the bulk soil OM was comprised of lignin-like and carboxyl-rich alicyclic molecules. These results support that the newly formed biotite associated organic compounds have a microbial signature in the mesh bags. High-resolution electron microscopy documented strongly adhered organic compounds to biotite surfaces, formation of microaggregates, elemental uptake at the microbe (organic matter)-mineral interface, and distortion of biotite layers. Overall, this study shows the direct and indirect involvement of soil microbial communities from the root zone of ponderosa pine in the formation of MAOM, soil organic carbon stabilization, microaggregation, and mineral weathering at micro- and nano-scales.

58 GEOSCIENCES↗
DOE OSTI2020

Improved Performance of Cu(InGa)(SeS) 2 PV Modules Using the Reaction of Metal Precursors. Final Report

This project “Improved Performance of Cu(InGa)(SeS) 2 PV Modules using the Reaction of Metal Precursors” was a partnership led by the Institute of Energy Conversion (IEC) at the University of Delaware with Columbia University and the Molecular Foundry at the Lawrence Berkeley National Laboratory. The aim was to develop pathways to improve Cu(InGa)(SeS) 2 (CIGSS) thin film photovoltaic modules using processes compatible with low manufacturing cost. The CIGSS approach investigated was a two-step process including deposition of metal precursor films following by reaction in hydride gases utilizing IEC’s novel reactor. The process was similar to that under commercial development by the project’s industry partner Stion. When Stion went out of business mid-project the focus changed to a rapid thermal process considered more commercially viable. Approaches to improve the performance of solar cells using the reacted films focused on two material innovations. First, the overall Ga content was increased to increase the operating voltage, which is desirable for scale-up to commercial modules. Second, the processing and performance advantages arising from Ag alloying were investigated. Advanced characterization guided process and material development including control of relative composition gradients. Research on the formation of Cu-Ga-In metal precursors utilized sputtering deposition which is normally used in commercial applications. The work resulted in processes for deposition of precursor stacks with increased relative Ga content and effects of deposition parameters on morphology and phase composition were established. It was shown that the metal precursor films have comparable phase composition and morphology so subsequent reaction follows from the same starting point. The addition of Ag to the metal precursors gave more uniform morphology and improved adhesion of reacted films which enable higher reaction temperature for faster processing. A novel outcome was the discovery of a previously undocumented material phase in sputter-deposited and evaporated Ag-Cu-In-Ga thin films. Hydride gas reaction processes including time-temperature-concentration profiles were developed for different precursor compositions. This enables control of composition profiles to engineer through-film gradients for solar cell optimization with characterization and simulations used to correlate measured film composition profiles to measurements of devices. In particular, the gradient of sulfur at the front of the CIGSS film was found to be critical. The simulations guided process development leading to improved reproducibility of devices improved performance with higher Ga content and higher voltage. With Ag-alloyed precursors, the reaction pathways leading were determined. A significant finding was that Ag-alloying increases the reaction rate to completely convert precursor films to the final chalcopyrite which could enable reduced reaction time to benefit manufacturability. To maintain potential commercial viability, the process under investigation was refocused to a rapid thermal process that could potentially be incorporated into an in-line process for manufacturing. Precursors with different composition were capped with an extra selenium layer and reacted in hydrogen sulfide 5-15 minutes, compared to typically 2 hours in the previous multi-step batch process. Critical RTP parameters were identified to control the reaction. Further optimization would be needed for high efficiency solar cells but pathways to high quality devices with further optimization and improved heating uniformity were developed. The project also developed new optoelectronic characterization approaches with a focus on development and application of spatial- and time-resolved photoluminescence and a custom mapping photoluminescence microscope built. It was shown how critical electronic transport properties strongly depend on the chemical composition of the material and that a wide range of samples show inhomogeneity on a length scale larger than the grains in the films. Additionally, two-photon excitation capability was developed to distinguish bulk vs surface losses. The project advances the state-of-the -art for precursor reaction processes in several ways that could impact manufacturing. This includes validation of approaches to increase voltage and establishment of model-guided control to form optimal composition profiles. The application of process control approaches with knowledge of phase formation and reaction pathways can be critically valuable in designing a large-scale process.

14 SOLAR ENERGY↗