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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Precursor-Dependent Routing of Aromatic Amino Acids Determines Lignin Structure in Grasses by Sensitivity-Enhanced Solid-State NMR

Lignin biosynthesis in grasses exhibits unique metabolic flexibility, yet the precursor-specific routing of carbon into lignin polymers remains poorly resolved in planta. Here, we combine 13 C-isotope labeling with solid-state NMR under sensitivity-enhancement by dynamic nuclear polarization (DNP), to directly track phenylalanine- and tyrosine-derived carbon incorporation into the lignin polymer in Brachypodium distachyon. Precursor-specific 13 C labeling reveals that phenylalanine is the dominant contributor to canonical guaiacyl and syringyl lignins, whereas tyrosine preferentially enriches hydroxyphenyl lignin and hydroxycinnamates, including ferulates characteristic of grass cell walls. Two-dimensional 13 C− 13 C correlation NMR resolves distinct lignin moieties arising from each precursor. Disruption of pcoumarate 3-hydroxylase (C3H) selectively impairs phenylalanine-derived lignification, while tyrosine-derived lignin remains comparatively unchanged, maintaining polymer assembly through alternative metabolic routes. These findings show precursordependent control of lignin composition and reveal tyrosine-mediated lignification as a compensatory pathway in grasses. This work also establishes precursor-resolved solid-state NMR and DNP as a powerful framework for dissecting lignin biosynthesis and metabolic plasticity in plant cell walls.

Biopolymers↗
DOE OSTI2026

Dynamically reconfigurable topological routing in nonlinear photonic systems

The propagation path of topologically protected states is bound to the interface between regions with different topology, and as such, the functionality of linear photonic devices leveraging these states is fixed during fabrication. Here, we propose a mechanism for dynamic control over a driven dissipative system’s local topology, yielding reconfigurable topological interfaces and thus tunable paths for protected routing. We illustrate our approach in non-resonantly pumped polariton lattices, where the nonlinear interaction between the polaritons and the exciton reservoir due to non-resonant pumping can yield picosecond-scale changes in the propagation paths of the chiral edge states. To analytically confirm the numerically observed topological dynamics, we generalize the spectral localizer framework to non-linear non-Hermitian Chern materials and apply this framework to a continuous model of the polariton system based on a driven-dissipative Gross-Pitaevskii equation. In doing so, we show that the local changes in the polariton lattice’s topology are captured by a local Chern marker. Looking forward, we anticipate such reconfigurable topological routing will enable the realization of novel classes of topological photonic devices.

Wong, Stephan [Sandia National Laboratories (SNL-N↗
DOE OSTI2018

Route to high-energy density polymeric nitrogen t-N via He-N compounds

Polymeric nitrogen, stabilized by compressing pure molecular nitrogen, has yet to be recovered to ambient conditions, precluding its application as a high-energy density material. Here we suggest a route for synthesis of a tetragonal polymeric nitrogen, denoted t-N, via He-N compounds at high pressures. Using first-principles calculations with structure searching, we predict a class of nitrides with stoichiometry HeN 4 that are energetically stable (relative to a mixture of solid He and N 2 ) above 8.5 GPa. At high pressure, HeN 4 comprises a polymeric channel-like nitrogen framework filled with linearly arranged helium atoms. The nitrogen framework persists to ambient pressure on decompression after removal of helium, forming pure polymeric nitrogen, t-N. t-N is dynamically and mechanically stable at ambient pressure with an estimated energy density of ~11.31 kJ/g, marking it out as a remarkable high-energy density material. As a result, this expands the known polymeric forms of nitrogen and indicates a route to its synthesis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Simplified synthetic routes for low cost and high photovoltaic performance n-type organic semiconductor acceptors

The application of polymer solar cells (PSCs) with n-type organic semiconductor as acceptor requires further improving powder conversion efficiency, increasing stability and decreasing cost of the related materials and devices. Here we report a simplified synthetic route for 4,4,9,9-tetrahexyl-4,9-dihydro-s-indaceno [1,2-b:5,6-b’] dithiophene by using the catalyst of amberlyst15. Based on this synthetic route and methoxy substitution, two low cost acceptors with less synthetic steps, simple post-treatment and high yield were synthesized. In addition, the methoxy substitution improves both yield and efficiency. The high efficiency of 13.46% was obtained for the devices with MO-IDIC-2F (3,9-bis(2-methylene-5 or 6-fluoro-(3-(1,1- dicyanomethylene)-indanone)-4,4,9,9-tetrahexyl-5,10-dimethoxyl-4,9-dihydro-s-indaceno [1,2-b:5,6-b’] dithiophene) as acceptor. Based on the cost analysis, the PSCs based on MOIDIC-2F possess the great advantages of low cost and high photovoltaic performance in comparison with those PSCs reported in literatures. Therefore, MO-IDIC-2F will be a promising low cost acceptor for commercial application of PSC

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Ultrafast narrowband exciton routing within layered perovskite nanoplatelets enables low-loss luminescent solar concentrators

In luminescent solar concentrator (LSC) systems, broadband solar energy is absorbed, down-converted and waveguided to the panel edges where peripheral photovoltaic cells convert the concentrated light to electricity. Achieving a low-loss LSC requires reducing the reabsorption of emitted light within the absorbing medium while maintaining high photoluminescence quantum yield (PLQY). Here we employ layered hybrid metal halide perovskites—ensembles of two-dimensional perovskite domains—to fabricate low-loss large-area LSCs that fulfil this requirement. Here, we devised a facile synthetic route to obtain layered perovskite nanoplatelets (PNPLs) that possess a tunable number of layers within each platelet. Efficient ultrafast non-radiative exciton routing within each PNPL (0.1 ps –1 ) produces a large Stokes shift and a high PLQY simultaneously. Using this approach, we achieve an optical quantum efficiency of 26% and an internal concentration factor of 3.3 for LSCs with an area of 10 × 10 cm 2 , which represents a fourfold enhancement over the best previously reported perovskite LSCs.

42 ENGINEERING↗
DOE OSTI2019

Techno-economic analysis and life-cycle greenhouse gas mitigation cost of five routes to bio-jet fuel blendstocks

Decarbonizing the air transportation sector remains one of the most challenging hurdles to mitigating climate change. Lignocellulosic biomass-derived jet fuel blendstocks can contribute to the shift toward renewable, low-carbon energy sources for aircrafts. Producing these renewable jet fuel molecules from biomass requires advanced pathways with the potential for efficient and affordable conversion routes. Here, this paper presents a detailed techno-economic analysis and sensitivity analysis, including estimated minimum selling price (MSP), and life-cycle greenhouse gas (GHG) mitigation costs for five routes to four potential bio-jet fuel molecules – limonane via limonene, limonane via 1,8-cineole, tetrahydromethylcyclopentadiene dimer (RJ-4), bisabolane, and epi-isozizaane. The simulated biorefineries utilize biomass sorghum and an integrated high-gravity ionic liquid-based biomass deconstruction process. We present results reflecting the current state of the technology and potential future scenarios with improved yields. Among the conversion pathways and the fuel molecules evaluated in this study, limonane, bisabolane, and epi-isozizaane could reach an MSP of 0.73–0.91 dollars per L-Jet A (2.75–3.45 dollars per gal-Jet A) in optimized future cases, without a hypothetical lignin-derived co-product. RJ-4 requires a more costly upgrading process and catalysts, resulting in a comparatively higher MSP (1.33 dollars per L-Jet A or 5.04 dollars per gal-jet A). Based on the GHG footprints of each fuel, the minimum achievable carbon mitigation cost relative to conventional Jet-A is 29 dollars per metric ton CO 2e , which is just under double the current cap-and-trade market price in California. In the absence of any policy support, the economics could be improved through high-value uses for lignin. To reach a target selling price of 0.66 dollars per L-Jet A (2.50 dollars per gal), lignin-derived products would need to be sold for at least 1.9 dollars per kg. However, the higher energy density of these bio-based blendstocks offers valuable improvements in aircraft efficiency/range; we find that commercial airlines may be willing to pay a 4–14 cent per L premium for these bio-jet fuels. In conclusion, our results highlight the need for improvements beyond currently-reported yields for the biologically produced intermediates, identification of ideal microbial hosts, selection of metabolic pathways to achieve competitive production costs, and a focus on fuels with attractive properties that increase their value.

09 BIOMASS FUELS↗
DOE OSTI2025

Exploring a new synthesis route to lithium-excess disordered rock salt (DRX) cathode materials

Lithium-excess disordered rock salt (DRX) materials are promising candidates for Co/Ni-free Li-ion cathodes due to their high specific energy (800+ W h kg −1 ) and compositional flexibility. DRX cathodes are typically synthesized using solid-state reactions, which are difficult to scale and provide little-to-no control over particle morphology. Here, to address this bottleneck, the present study reports a two-step, solution-based reaction route to prepare Mn/Ti-based DRX oxyfluoride cathodes with nominal compositions of Li 1.25 Mn 0.5 Ti 0.3 O 1.95 F 0.05 and Li 1.35 Mn 0.7 Ti 0.1 O 1.85 F 0.15 . More specifically, a glycine–nitrate combustion reaction is used to produce a lithiated transition metal oxide, which is further reacted with LiF to produce high-purity DRX powders. Remarkably, this route yields 80–90% pure DRX after annealing for 1 h at 800–1000 °C, and 19 F solid-state nuclear magnetic resonance (ssNMR) spectra demonstrate that F− anions are successfully incorporated into the DRX structure. Cathodes prepared using this approach exhibit promising electrochemical performance, with Li 1.35 Mn 0.7 Ti 0.1 O 1.85 F 0.15 attaining reversible capacities ∼210 mA h g −1 and moderate cycling stability in half cells (65% capacity retention over 150 cycles). Overall, these results demonstrate that utilizing novel metal oxide precursors presents a viable and largely unexplored method to produce high-performance Co/Ni-free DRX cathodes.

25 ENERGY STORAGE↗
DOE OSTI2026

A divergent synthetic route to functional copolymer libraries via modular polymers

High-throughput polymer synthesis enables rapid exploration of chemical space but remains limited by batch-to-batch inconsistencies that can obscure structure–property relationship trends. To address this challenge, we developed a synthetic approach to produce multifunctional copolymers using post-polymerization modification of activated ester modular polymers with commercially available amines. Easily derivitized parent polymers—poly(tetrafluorophenyl acrylate) and poly(tetrafluorophenyl styrene sulfonate)—were synthesized by RAFT polymerization to yield single polymer batches containing highly reactive tetrafluorophenyl esters or sulfonate esters on each repeat unit. Tuning post-polymerization modification reaction conditions enabled the addition of sub-stoichiometric amounts of amines (relative to the repeat unit) to yield partially functionalized intermediates that could then be further derivatized. Reaction monitoring by 19 F NMR spectroscopy confirmed good control over these sequential post-polymerization modifications. This synthetic route produced a variety of copolymers with defined comonomer ratios while preserving the underlying polymer structure (degree of polymerization, dispersity, tacticity) for both the acrylate and styrene sulfonate backbones. We further applied this approach in a divergent manner to create a small library of structurally distinct copolymers from a single parent batch in three synthetic steps. This modular, divergent synthesis demonstrates a general route to structurally consistent copolymer libraries that enable systematic studies of structure–property relationships and can accelerate functional materials discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Modified chemical route for deposition of molybdenum disulphide thin films

Molybdenum disulphide (MoS{sub 2}) thin films were deposited on quartz substrates using a modified chemical route. Sodium molybdate and sodium sulphide were used as precursors for molybdenum and sulphur respectively. The route involves formation of tetrathiomolybdate ions (MoS{sub 4}{sup 2−}) and further reduction by sodium borohydride to form MoS{sub 2}. The deposition was performed at room temperature. The deposited films were annealed in argon atmosphere at 1073 K for 1 hour to improve its crystallinity. The deposited films were characterized using scanning electron microscopy (SEM) for morphology, UV-Vis absorption spectroscopy for optical studies and X-ray diffraction (XRD) for structure determination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A novel process route for the production of spherical SLS polymer powders

Currently, rapid prototyping gradually is transferred to additive manufacturing opening new applications. Especially selective laser sintering (SLS) is promising. One drawback is the limited choice of polymer materials available as optimized powders. Powders produced by cryogenic grinding show poor powder flowability resulting in poor device quality. Within this account we present a novel process route for the production of spherical polymer micron-sized particles of good flowability. The feasibility of the process chain is demonstrated for polystyrene e. In a first step polymer microparticles are produced by a wet grinding method. By this approach the mean particle size and the particle size distribution can be tuned between a few microns and several 10 microns. The applicability of this method will be discussed for different polymers and the dependencies of product particle size distribution on stressing conditions and process temperature will be outlined. The comminution products consist of microparticles of irregular shape and poor powder flowability. An improvement of flowability of the ground particles is achieved by changing their shape: they are rounded using a heated downer reactor. The influence of temperature profile and residence time on the product properties will be addressed applying a viscous-flow sintering model. To further improve the flowability of the cohesive spherical polymer particles nanoparticles are adhered onto the microparticles’ surface. The improvement of flowability is remarkable: rounded and dry-coated powders exhibit a strongly reduced tensile strength as compared to the comminution product. The improved polymer powders obtained by the process route proposed open new possibilities in SLS processing including the usage of much smaller polymer beads.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

On-chip electrically controlled routing of photons from a single quantum dot

Electrical control of on-chip routing of photons emitted by a single InAs/GaAs self-assembled quantum dot (SAQD) is demonstrated in a photonic crystal cavity-waveguide system. The SAQD is located inside an H1 cavity, which is coupled to two photonic crystal waveguides. The SAQD emission wavelength is electrically tunable by the quantum-confined Stark effect. When the SAQD emission is brought into resonance with one of two H1 cavity modes, it is preferentially routed to the waveguide to which that mode is selectively coupled. This proof of concept provides the basis for scalable, low-power, high-speed operation of single-photon routers for use in integrated quantum photonic circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Dual reorientation relaxation routes of water molecules in oxyanion’s hydration shell: A molecular geometry perspective

In this study, we examine how complex ions such as oxyanions influence the dynamic properties of water and whether differences exist between simple halide anions and oxyanions. Nitrate anion is taken as an example to investigate the hydration properties of oxyanions. Reorientation relaxation of its hydration water can occur through two different routes: water can either break its hydrogen bond with the nitrate to form one with another water or switch between two oxygen atoms of the same nitrate. The latter molecular mechanism increases the residence time of oxyanion’s hydration water and thus nitrate anion slows down the translational motion of neighbouring water. But it is also a “structure breaker” in that it accelerates the reorientation relaxation of hydration water. Such a result illustrates that differences do exist between the hydration of oxyanions and simple halide anions as a result of different molecular geometries. Furthermore, the rotation of the nitrate solute is coupled with the hydrogen bond rearrangement of its hydration water. The nitrate anion can either tilt along the axis perpendicularly to the plane or rotate in the plane. We find that the two reorientation relaxation routes of the hydration water lead to different relaxation dynamics in each of the two above movements of the nitrate solute. The current study suggests that molecular geometry could play an important role in solute hydration and dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Investigation of optimal route to fabricate submicron-sized Sm{sub 2}Fe{sub 17} particles with reduction-diffusion method

Submicron-sized Sm{sub 2}Fe{sub 17} powder samples were fabricated by a non-pulverizing process through reduction-diffusion of precursors prepared by a wet-chemical technique. Three precursors having different morphologies, which were micron-sized porous Sm-Fe oxide-impregnated iron nitrate, acicular goethite impregnated-samarium nitrate, and a conventional Sm-Fe coprecipitate, were prepared and subjected to hydrogen reduction and reduction-diffusion treatment to clarify whether these precursors could be convert to Sm{sub 2}Fe{sub 17} without impurity phases and which precursor is the most attractive for producing submicron-sized Sm{sub 2}Fe{sub 17} powder. As a result, all three precursors were successfully converted to Sm{sub 2}Fe{sub 17} powders without impurity phases, and the synthesis route using iron-oxide particle-impregnated samarium oxide was revealed to have the greatest potential among the three routes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Some bifurcation routes to chaos of thermocapillary convection in two-dimensional liquid layers of finite extent

As a part of the preliminary studies for the future space experiment (Zona-K) in the Russian module of the International Space Station, some bifurcation routes to chaos of thermocapillary convection in two-dimensional liquid layers filled with 10 cSt silicone oil have been numerically studied in this paper. As the laterally applied temperature difference is raised, variations in the spatial structure and temporal evolution of the thermocapillary convection and a complex sequence of transitions are observed. The results show that the finite extent of the liquid layer significantly influences the tempo-spatial evolution of the thermocapillary convection. Moreover, the bifurcation route of the thermocapillary convection changes very sensitively by the aspect ratio of the liquid layer. With the increasing Reynolds number (applied temperature difference), the steady thermocapillary convection experiences two consecutive transitions from periodic oscillatory state to quasi-periodic oscillatory state with frequency-locking before emergence of chaotic convection in a liquid layer of aspect ratio 14.25, and the thermocapillary convection undergoes period-doubling cascades leading to chaotic convection in a liquid layer of aspect ratio 13.0.

42 ENGINEERING↗
DOE OSTI2025

Assessment of minnealloy fabrication via three routes

Transformer cores exhibiting higher operating power and improved efficiency are of great interest to electrical utilities, industry, and the de-carbonization effort. Minnealloy, α″-Fe16(C,N)2, a martensite made only of iron, nitrogen, and carbon, has shown the largest saturation magnetization of any soft ferromagnet, 250 emu/g, and tunable magnetocrystalline anisotropy. Given this represents a significant increase in power transferred per cycle compared to legacy transformer core materials, we investigate three novel, industrially scalable routes for fabricating Minnealloy. The martensite phase content is investigated for each route. Vibrating sample magnetometry is used to investigate the change in saturation magnetization and coercivity with respect to the relative content of the desired phase and other iron, iron-nitride, and iron oxide phase impurities. The relationship between structure and magnetic properties of bulk α″-Fe16(C,N)2 is investigated using LDA, PBE, and PBEsol exchange-correlation functionals within the frameworks of Hubbard-corrected density functional theory (DFT+U).

36 MATERIALS SCIENCE↗
DOE OSTI2014

The B-type channel is a major route for iron entry into the ferroxidase center and central cavity of bacterioferritin

Bacterioferritin is a bacterial iron storage and detoxification protein that is capable of forming a ferric oxyhydroxide mineral core within its central cavity. To do this, iron must traverse the bacterioferritin protein shell, which is expected to occur through one or more of the channels through the shell identified by structural studies. The size and negative electrostatic potential of the 24 B-type channels suggest that they could provide a route for iron into bacterioferritin. Residues at the B-type channel (Asn-34, Glu-66, Asp-132, and Asp-139) of E. coli bacterioferritin were substituted to determine if they are important for iron core formation. A significant decrease in the rates of initial oxidation of Fe(II) at the ferroxidase center and subsequent iron mineralization was observed for the D132F variant. The crystal structure of this variant shows that substitution of residue 132 with phenylalanine caused a steric blockage of the B-type channel and no other material structural perturbation. Here, we conclude that the B-type channel is a major route for iron entry into both the ferroxidase center and the iron storage cavity of bacterioferritin.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Segmented Energy Routing for a Modular AC/DC Hybrid System

This article presents a modular ac/dc system with both distributed and centralized power ports for energy router (ER) applications. In each module of the described system, photovoltaic (PV) power generation units, battery-type energy storage (ES) units, and critical loads are connected to the cascaded H-bridge (CHB)-organized medium-voltage (MV) dc links, with fully distributed low-voltage (LV) dc power ports. Copies of modules share the centralized load bus and interact with an MV ac grid in parallel. Hybrid power port (HPO) assigns flexibility to the system but makes energy routings a necessity for stable operation. In this article, a segmented energy management strategy for the HPO-ER is proposed. In terms of the grid-side power transferring, the system ratings are intentionally designed to match significant power imbalance. Focally, a segmented energy management strategy is proposed to realize fully autonomous energy routing involving MV ac grid, distributed PV generations, distributed battery storages, and LV load. The system is proven to be stable using the derived impedance-based model considering the interaction between power blocks. The feasibility of the topology and control strategy is also verified through software simulation, laboratorial hardware prototype experiment, and hardware-in-the-loop (HIL) emulation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Alternate routes to acetate tolerance lead to varied isoprenol production from mixed carbon sources in Pseudomonas putida

ABSTRACT Lignocellulose is a renewable resource for the production of a diverse array of platform chemicals, including the biofuel isoprenol. Although this carbon stream provides a rich source of sugars, other organic compounds, such as acetate, can be used by microbial hosts. Here, we examined the growth and isoprenol production in a Pseudomonas putida strain pre-tolerized (“PT”) background where its native isoprenol catabolism pathway is deleted, using glucose and acetate as carbon sources. We found that PT displays impaired growth in minimal medium containing acetate and often fails to grow in glucose-acetate medium. Using a mutant recovery-based approach, we generated tolerized strains that overcame these limitations, achieving fast growth and isoprenol production in the mixed carbon feed. Changes in the glucose and acetate assimilation routes, including an upregulation in PP_0154 (SpcC, succinyl-CoA:acetate CoA-transferase) and differential expression of the gluconate assimilation pathways, were key for higher isoprenol titers in the tolerized strains, whereas a different set of mechanisms were likely enabling tolerance phenotypes in media containing acetate. Among these, a coproporphyrinogen-III oxidase (HemN) was upregulated across all tolerized strains and in one isolate required for acetate tolerance. Utilizing a defined glucose and acetate mixture ratio reflective of lignocellulosic feedstocks for isoprenol production in P. putida allowed us to obtain insights into the dynamics and challenges unique to dual carbon source utilization that are obscured when studied separately. Together, this enabled the development of a P. putida bioconversion chassis able to use a more complex carbon stream to produce isoprenol. IMPORTANCE Acetate is a relatively abundant component of many lignocellulosic carbon streams and has the potential to be used together with sugars, especially in microbes with versatile catabolism such as P. putida . However, the use of mixed carbon streams necessitates additional optimization. Furthermore, the use of P. putida for the production of the biofuel target, isoprenol, requires the use of engineered strains that have additional growth and production constraints when cultivated in acetate and glucose mixtures. In this study, we generate acetate-tolerant P. putida strains that overcome these challenges and examine their ability to produce isoprenol. We show that acetate tolerance and isoprenol production, although independent phenotypes, can both be optimized in a given P. putida strain. Using proteomics and whole genome sequencing, we examine the molecular basis of both phenotypes and show that tolerance to acetate can occur via alternate routes and result in different impacts on isoprenol production.

de Siqueira, Guilherme M. V. (ORCID:00000002364563↗