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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Feeding from the sun—Successes and prospects in bioengineering photosynthesis for food security

There is an urgent need for increased crop productivity to reduce food insecurity and improve sustainability. Photosynthesis converts sunlight energy into carbohydrates, providing the source of nearly all of humanity’s food. Photosynthesis is a key target for improvement, owing to inherent inefficiencies in the biochemical process. Over the last decade of advancements in bioengineering, strategies to increase the efficiency of photosynthesis were tested with proven enhancements to crop yields in field trials. Simple strategies like increasing the content of photosynthetic proteins have reliably increased photosynthesis and productivity in crops, as have more complex strategies such as bypassing photorespiration. While insertion of carbon-concentrating mechanisms into C3 plants remains an engineering challenge, modeling suggests that achieving that would have the greatest gain for crop improvement. This review discusses the many successes in improving photosynthesis achieved over the past decade and quantifies the potential for future engineering targets to increase crop productivity.

Long, Stephen P. [University of Illinois, Urbana, ↗
DOE OSTI2025

Experimental and fuel-surrogates modeling study of the high-pressure pyrolysis of specialty cetane number fuels: implications for fall-off in ethylene unimolecular dissociation

Single pulse shock tube experiments were conducted at 50 atm nominal pressure and 4 ms nominal reaction time over a temperature range of 900–1800 K, to study the pyrolysis speciation of a multi-component jet fuel, F-24, and six cetane number (CN) specialty fuels - CN30, CN35, CN40, CN45, CN50, and CN55. Gas chromatography (GC) was used to qualitatively and quantitatively analyze the post shock gases. The relationship between the formation of key pyrolysis species and the chemically controlled combustion propensity as reflected by the cetane number of each fuel was examined. A surrogate-based mechanism from the CRECK Modelling Group and chemical-functional group based optimized surrogates (CFGO) were used to simulate the pyrolysis speciation results. The model was able to capture the chemistry of most species except two important pyrolysis intermediates – ethylene and acetylene. Chemical kinetic analyses were performed to identify the important reactions which affect the chemistry of these species; however, the rate parameters of critical reactions were found to be unsuitable for simulating the present high-pressure studies. Here, to address this unsuitability, a theory-based fall-off analysis for three reactions representing the decomposition of ethylene and subsequent formation of acetylene was performed, and these are included in an updated version of the CRECK mechanism. This update resolves discrepancies between the experimental results and simulations for ethylene and acetylene. Reaction flux analyses using the updated surrogate model were also performed to identify the important reaction pathways responsible for the formation of crucial species and to provide an analysis of the chemistry of complex multi-component fuel systems. The fundamental reactions responsible for driving pyrolysis chemistry were greatly influenced by the chemical functional groups present in these fuels. In addition to updating the rate parameters of specific reactions to improve modeling, this study also emphasizes the effectiveness of the fuel-surrogate approach, where surrogates representing the chemical functional group composition of the parent fuel serve as a valuable tool for predicting the combustion chemistry of novel fuels.

Chemical Kinetics↗
DOE OSTI2024

An orphan gene BOOSTER enhances photosynthetic efficiency and plant productivity

Organelle-to-nucleus DNA transfer is an ongoing process playing an important role in the evolution of eukaryotic life. Here, genome-wide association studies (GWAS) of non-photochemical quenching parameters in 743 Populus trichocarpa accessions identified a nuclear-encoded genomic region associated with variation in photosynthesis under fluctuating light. The identified gene, BOOSTER (BSTR), comprises three exons, two with apparent endophytic origin and the third containing a large fragment of plastid-encoded Rubisco large subunit. Higher expression of BSTR facilitated anterograde signaling between nucleus and plastid, which corresponded to enhanced expression of Rubisco, increased photosynthesis, and up to 35% greater plant height and 88% biomass in poplar accessions under field conditions. Overexpression of BSTR in Populus tremula × P. alba achieved up to a 200% in plant height. Similarly, Arabidopsis plants heterologously expressing BSTR gained up to 200% in biomass and up to 50% increase in seed.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Energy efficiency in industrial drying: A hybrid ultrasonic system with a novel dynamic optimization framework

Drying processes are among the most energy-consuming operations in industrial and manufacturing settings, demanding strategic selection, design, and control for enhanced efficiency. Advancing drying technologies is critical for improving sustainability, lowering energy use, reducing carbon emissions, and minimizing waste. This study explores two innovative strategies aimed at transforming drying processes into sustainable, low-carbon systems by reducing energy consumption, minimizing waste, and maintaining a strong emphasis on preserving product quality. The first strategy showcases a sub-pilot scale hybrid ultrasonic-convective dryer for agrifood products. This technology, powered by electricity (process electrification), integrates non-thermal ultrasonic dehydration with convective heating and is presented as a sustainable and energy-efficient solution that enhances eco-friendly practices. The second strategy involves introducing and implementing a novel, multiobjective, mixed integer dynamic optimization technique to determine the optimal time-dependent process parameter values for the drying operation. This optimization technique yields operating conditions that are piecewise constant in time aiming to maximize the energy efficiency of the hybrid ultrasonic-convective dryer while ensuring strict adherence to product quality constraints. By adopting the hybrid ultrasonic-convective dryer, a notable 35% improvement in energy efficiency was achieved compared to conventional hot-air drying systems for drying apple slices. The proposed optimization framework further enhanced energy efficiency by nearly 14% over the most efficient process on the identical testbed, under static operating conditions. The reported enhancements have been experimentally validated. Regarding drying time (thereby improving production yield), the developed hybrid ultrasonic-convective dryer demonstrates as much as a 41% reduction in total processing time, which is further optimized by an additional 10% using our proposed optimization framework. The research outcomes have profound implications for the design and operation of drying systems, encompassing crucial aspects such as process electrification, cost-effectiveness, energy savings, time efficiency, product yield, product quality, and process automation.

Dynamic optimization↗
DOE OSTI2026

Cross-slip and easy-glide CRSS in titanium: Theoretical predictions and in-situ TEM measurements

This study investigates the mechanics of prismatic and first-order pyramidal $\langle$a$\rangle$ slip in titanium (Ti), elucidating the physics of easy-glide and cross-slip through a combination of theory and experiments. Screw-character prismatic (Pr) dislocations in Ti are of particular interest because their complex cores can be stable or unstable, leading to activation by either cross-slip or planar glide. To investigate these mechanisms, site-specific micro tensile samples were prepared using focused ion beam (FIB) milling and mounted on a push-to-pull (PTP) device for in-situ transmission electron microscopy (TEM) tensile testing. The in-situ experiments provide direct observations of the onset of dislocation motion and the precise determination of the critical resolved shear stress (CRSS) for the activated mechanisms, and its evolution with load cycling. A comprehensive theory has been developed to predict the CRSS values for easy glide, cross-slip, and multiplication of dislocations. Predicted critical stresses for pyramidal (π)-to-Pr and reverse cross-slip agree closely with the experimental measurements. The latter cross-slip stress is a factor of two higher than that of unobstructed planar slip. The model accounts for overlapping dislocation cores and employs a Wigner-Seitz based cell to evaluate misfit energies. By combining ab initio density functional theory (DFT) with anisotropic elasticity, the framework identifies minimum energy pathways for dislocation glide, which can be intermittent and zig-zag. A simplified expression utilizing (π) and Pr Schmid factor ratios is proposed for critical stress corresponding to (π)-to-Pr cross-slip transition. The results are strongly dependent on crystal orientation, underscoring non-Schmid behavior. Overall, this study explores key critical stress parameters essential for informing higher-scale simulations of plasticity in Ti.

Critical stress↗
DOE OSTI2025

Effects of carbon substitution on magnetic properties and magnetocaloric effects in Mn 65-x Ga 17 C 18+x compounds

This study involved the tuning of the magnetic, magnetocaloric, and room-temperature structural properties of Mn 65-x Ga 17 C 18+x (0 ≤ x ≤ 4) compounds prepared using a high-energy ball milling (HEBM) technique. This study indicates that the crystal structure of all the compounds can be described as an anti-perovskite cubic structure with the Pm-3m space group and the crystal cell volume decreases with increasing carbon concentration. The system shows a first-order structural phase transition at a temperature T=T M between two cubic phases having different magnetic structures. The phases are characterized by antiferromagnetic (AFM) and ferromagnetic (FM) -like behavior at low (T < T M ) and high (T M > T) temperature regions, respectively. A suppression of the AFM phase was observed with increasing C concentration. The temperature-induced first-order transitions (FOTs) were found to possess a small thermal hysteresis in the magnetization (~2-3 K) in an applied magnetic field of H = 50 kOe. Magnetic entropy changes estimated from isothermal magnetization curves indicate that the largest value of the magnetic entropy change of |ΔS M | = 2.1 J kg -1 K -1 for x = 4 with ΔH = 50 kOe, with a relative cooling power (RCP) of ~190 J kg -1 . Furthermore, high-energy ball milling (HEBM), a scalable technique, has been demonstrated as a viable method to synthesize magnetocaloric materials with substantial RCP values.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Multi-faceted framework for extrapolating early age flexural strength to facilitate rapid lifting/handling of high-volume fly ash precast members

Maintaining adequate early-age structural performance for precast concrete components has grown in importance as more sustainable mix designs become more widespread. Achieving high-early flexural strength is particularly crucial to facilitate rapid removal of hardened concrete components from formwork, often within 24 h after fresh concrete placement. Limited research has assessed the effectiveness of traditional design methods in correlating flexural strength with compressive strength for next-generation mix designs, or demonstrated extrapolation of such material performance to larger-scale structural tests. This paper presents a multi-faceted framework to reassess early-age flexural strength for concretes made with relatively high proportions of fly ash from both fresh and harvested sources. Here, the framework provides several pathways, from which the user can select based upon available resources and the specific application, to improve accuracy of early-age cracking moment calculations. Furthermore, the scope includes evaluation of strength performance under curing conditions emulative of those in a precast facility, recommending modulus of rupture equations which are more performance-driven than current design provisions, and experimental tests on prefabricated concrete beams to validate the proposed methodologies. Correlations of early-age strength with both concrete age and maturity measurements compare the effectiveness of utilizing in-situ data to further enhance the prediction methods. Ultimately, the proposed framework helped reduce errors when calculating cracking moment capacity at early ages by tailoring calculations to reflect mix-dependent behavior. Furthermore, most estimates of cracking moment were within 25 % of their corresponding experimental test results, thus promoting confidence for using these strategies with high-volume fly ash precast structures.

42 ENGINEERING↗
DOE OSTI2025

Evaluating switch lifetime in soft-switched single-stage differential-mode SST

The reliability of semiconductor switches in single-stage differential-mode solid-state transformers (DM-SSTs) has not been systematically evaluated under soft-switching operation and realistic grid conditions. This paper presents a switch-level reliability analysis for soft-switched and hard-switched DM-SST configurations by integrating converter-specific power loss modeling with empirical lifetime prediction. Analytical derivation of device current profiles specific to the DM-SST is used to characterize electrothermal stress, which is then mapped to lifetime using degradation models obtained from power cycling tests (PCTs). Applied to realistic SST load profiles and grid voltage variations, this approach provides a probabilistic prediction of switch lifetime for the DM-SST. Lifetime estimates for both SiC MOSFETs and Si IGBTs are presented, offering insight into device degradation under converter operating conditions. The results quantify the reliability benefits of soft switching in single-stage SSTs, highlighting how switching dynamics influence long-term switch degradation.

14 SOLAR ENERGY↗
DOE OSTI2025

Harnessing nanoscale densification for controlling gas selectivity in flexible zeolitic imidazolate frameworks

Flexible metal-organic frameworks (MOFs) are promising for gas separation due to their molecular recognition capabilities. However, gate-opening behavior in certain flexible MOFs can reduce gas selectivity, enabling simultaneous adsorption of multiple gases. We introduce a binder-free, pressure-free densification process to enhance gas selectivity in flexible zeolitic imidazolate frameworks (ZIF-7 and ZIF-9) by optimizing nanoparticle packing. Unlike powders, the densified ZIF-7 and ZIF-9 retain rhombohedral crystal structures after solvent removal, confirmed via synchrotron powder X-ray diffraction. This process modifies adsorption behavior by introducing a diffusion barrier, enabling diffusivity-driven kinetic separation and enhanced CO2/hydrocarbon selectivity. At 0.5 bar, ZIF-7 mono shows 2×, 4×, and 9.5× higher CO 2 selectivity over C 2 H 2 , C 2 H 4 , and C 2 H 6 , respectively, versus ZIF-7 pwd . ZIF-9 mono similarly shows 6.5×, 3×, and 39× improvements over ZIF-9 pwd . Both monoliths outperform powders in ternary gas mixtures. This study provides a novel strategy to control gate opening and enhance gas selectivity in flexible MOFs for practical separation applications.

CO2/hydrocarbon separation↗
DOE OSTI2025

Scanning Electrochemical Microscopy: An Evolving Toolbox for Revealing the Chemistry within Electrochemical Processes

The parallel development of ultramicroelectrodes (UMEs) and groundbreaking scanning probe microscopy techniques in the late 1980s led to the development of the scanning electrochemical microscope. Scanning electrochemical microscopy (SECM) was born from the idea of using a tiny electrode to measure the local electrochemical behavior at operating electrodes. From its foundations, the technique displayed an inherent versatility in measuring sample properties beyond topography. It allowed experimenters to measure and map chemical reactions occurring at diverse interfaces, from inspecting the reversibility of redox mediators at metal electrodes, to detecting the hallmarks of cellular respiration on living plant leaves. Related but distinct electrochemical scanning probe techniques, such as electrochemical atomic force microscopy (EC-AFM), scanning ion conductance microscopy (SICM), and scanning electrochemical cell microscopy (SECCM) have developed in parallel. These techniques have demonstrated exquisite spatial resolution down to the nanoscale regime. However, it is the proposition of this review that SECM remains unmatched at revealing the chemical aspects of electrochemistry. Furthermore, it is our intention to review and demonstrate that the versatile architecture of SECM continues to evolve and address fundamental and emerging challenges in the fields of energy storage and conversion, chemical biology, materials science, and environmental chemistry, among others.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

A New Nitrogen-Rich Energetic Material with So Many Tautomers

A new nitrogen-rich triazolo-triazole compound, (3-(6-methyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-1H-1,2,4-triazol-5-amine), TTT1, has been prepared, and its acid–base and tautomeric behavior has been investigated. In the pH range of 0.3–12, TTT1 can accept up to two protons, forming a monocation and a dication, and can deliver one proton, forming a monoanion. The tautomeric behavior is particularly rich for the monocation, for which computational analysis predicts four different tautomers in a narrow energy range of 2 kcal/mol. Two of these tautomers (2H-7H-8H and 3H-7H-8H) have been isolated in salts of the monocation with suitable counterions (chloride, bromide, perchlorate). Surprisingly, the most stable predicted tautomer, 1H-3H-7H, has not been found in the four crystallized salts of the monocation. The energetic perchlorate salt of the monocation (3H-7H-8H tautomer) shows good thermal stability and good stability to impact, friction, and electric discharge. The packing of this compound shows the formation of H-bonded dimers with interactions between N8–H···N1. The crystal structure of this energetic salt was studied experimentally up to 2.8 GPa; no phase change or decomposition was observed.

Chemical structure↗
DOE OSTI2025

Anion and Cation Size Effects on Viscoelasticity and Ion Transport of Imine Vitrimer Electrolytes

Vitrimers are a subclass of covalent adaptable networks where bond exchange occurs without breaking, thereby offering polymer materials with enhanced mechanical strength, thermal stability, and reprocessability compared to conventional electrolytes. Despite recent progress, we lack a complete understanding of the role of ions in controlling the physical and chemical properties of vitrimers. In this work, we study how different salts affect the viscoelasticity, morphology, and ionic conductivity of imine vitrimers. Our results show that addition of salt decreases relaxation times at elevated temperatures due to the catalytic effect of the cations, with smaller cations leading to faster relaxation. However, the activation energy for terminal relaxation increases with smaller cation size. This apparent discrepancy is attributed to the complex interplay among bond exchange kinetics, chain diffusion, and salt dissociation. Anions act as plasticizers by reducing the shear modulus, except lithium bromide. Ionic conductivity increases with larger anions due to smaller salt dissociation energies, whereas the cation type has a minor impact as polymer segmental dynamics dominate ionic transport. Imine-based vitrimers are reprocessable and recyclable, maintaining original mechanical properties and ionic conductivity after recovery. Mixed salt vitrimers exhibited tunable viscoelasticity and ionic conductivity intermediate to the analogous pure salt systems. Altogether, this work highlights the role of salt in the dynamic and conductive properties of imine vitrimers.

Anions↗
DOE OSTI2025

Elucidating the Solvation Structures and Dynamics in Iron-Based TFSI – Aqueous Systems

This study investigates the solvation structures and dynamics of bis(trifluoromethanesulfonyl)imide (TFSI – )-based aqueous electrolytes, focusing on Fe(TFSI) 2 and Fe(TFSI) 3 . Using advanced characterization techniques, including small-angle X-ray scattering, molecular dynamics simulations, Raman spectroscopy, Fourier-transform infrared spectroscopy, and nuclear magnetic resonance, we elucidate how the electrolyte concentration influences ion association, solvation structures, and transport properties. Furthermore, our findings show that higher electrolyte concentrations promote the formation of contact ion pairs and anion networks, leading to reduced ion mobility and altered hydrogen-bonding dynamics. These insights provide a deeper understanding of solvation phenomena in TFSI-based electrolytes and contribute to the development of efficient and environmentally friendly iron electrodeposition processes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Co-Location of Cellulosic Bioethanol and Alcohol-to-Jet (ATJ) Production Facilities for Targeted Scale-Up of Sustainable Aviation Fuel (SAF) Production

Achieving aerospace industry net-zero emissions by 2050 requires rapid scaling of sustainable aviation fuel (SAF) production. Leveraging existing infrastructure, proven technologies like Alcohol-to-Jet (ATJ), and low carbon intensity (CI) feedstocks (e.g., switchgrass and miscanthus) can support this transition and help achieve near-term emissions reduction targets. This study evaluates the implications of lignocellulosic ethanol biorefinery siting and integration with petroleum refineries to produce SAF across 1000 sites randomly sampled from areas suitable for perennial grasses in the U.S. rainfed region. To better understand the logistics of material transport and handoffs, we integrated models of biomass harvest, transport, ethanol, and ATJ production in a stochastic framework based on Monte Carlo simulations to characterize SAF minimum selling price (MSP) and carbon intensity (CI), considering site-specific parameters (e.g., feedstock production, transportation, taxes, incentives). The results indicate trade-offs between MSP and CI across locations, with median MSP ranging from 7.9 to 12.8 USD·gal −1 and CI from −9.7 to 39.4 gCO 2 e·MJ −1 . Despite high estimated decarbonization costs (580 USD·tonCO 2 e −1 ), our results indicate that site-specific deployment of ATJ with low-CI feedstocks can improve sustainability outcomes. The framework provides a systematic approach to assess cost and sustainability trade-offs across locations, considering the end-to-end supply chain and supporting an informed investment in SAF production.

09 BIOMASS FUELS↗
DOE OSTI2026

Spatial Optimization of Multiscale Biorefinery Deployment for a Diversified Bioeconomy in the United States

Strategic biorefinery siting is critical for a diversified bioeconomy, yet industry, policy, and research often focus on either large-scale biofuel plants or smaller-scale specialty bioproduct facilities, with limited coordination across scales. We address this gap by modeling biorefinery deployment spanning a 28-fold difference in capacity. We developed an open-source, spatially explicit framework integrating techno-economic analysis with logistics and refinery cost surrogate models to evaluate multiscale miscanthus-derived biorefineries across the rainfed U.S. for the production of ethanol, succinic acid, lactic acid, potassium sorbate, and acrylic acid. Overall costs change little as feedstock density increases, while transport distances decrease by ∼30 to 67% (∼100 km) and siting flexibility improves. Specifically, a 5-fold feedstock density increase (2% to 10% of suitable land) reduces minimum selling prices by <10% (e.g., 0.27 USD·gal –1 for ethanol). This limited economic sensitivity suggests dense planting is not required for competitive deployment, particularly for smaller-scale facilities. Representing collection areas as irregular rather than circular expands the feasible space under low-density scenarios. While large-scale refineries anchor regional supply chains, smaller facilities retain spatial flexibility even when large refineries are established. These findings highlight the importance of spatial representation and multiscale coordination for robust, regionally tailored biomanufacturing networks to advance renewable carbon integration without extensive land conversion.

biorefinery siting↗
DOE OSTI2025

Synthesis of Layered Gold Tellurides AuSbTe and Au 2 Te 3 and Their Semiconducting and Metallic Behavior

Previous studies on natural samples of pampaloite (AuSbTe) revealed the crystal structure of a potentially cleavable and/or exfoliable material, while studies on natural and synthetic montbrayite (Sb-containing Au 2 Te 3 ) claimed various chemical compositions for this low-symmetry compound. Few investigations of synthetic samples have been reported for both materials, leaving much of their chemical, thermal, and electronic characteristics unknown. Here, in this study, we investigate the stability, electronic properties, and synthesis of the gold antimony tellurides AuSbTe and Au 1.9 Sb 0.46 Te 2.64 (montbrayite). Differential thermal analysis and in situ powder X-ray diffraction revealed that AuSbTe is incongruently melting, while Au 1.9 Sb 0.46 Te 2.64 is congruently melting. Calculations of the band structures and four-point resistivity measurements showed that AuSbTe is a semiconductor and Au 1.9 Sb 0.46 Te 2.64 a metal. Various synthesis attempts confirmed the limited stable chemical composition of Au 1.9 Sb 0.46 Te 2.64 , identified successful methods to synthesize both compounds, and highlighted the challenges associated with single-crystal synthesis of AuSbTe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Strain-Modified Raman Responses in Monolayer MoS 2 Nanobubbles Resolved at 5 nm

The formation of nanoscale bubbles is an unavoidable consequence during the transfer of two-dimensional materials onto target substrates, driven by van der Waals interactions at the interface. While often viewed as imperfections, these nanoscale bubbles have garnered considerable scientific interest due to the substantial in-plane strain gradients they induce, which in turn give rise to a variety of intriguing optoelectronic effects, particularly in semiconducting transition metal dichalcogenides. Determining and analyzing the strain distribution within nanobubbles at the nanoscale is crucial for advancing our understanding of these underlying strain-induced effects. Here, we present a high-resolution scanning tunneling microscopy-based tip-enhanced Raman spectroscopic investigation of localized nanoscale strain distribution within the nanobubbles formed between monolayer MoS 2 and Au interface. By employing cryogenic temperature (78 K), we successfully differentiate the nanoscale Raman signatures between nanobubble edge and pristine MoS 2 . We verify a maximum tensile strain of ∽1.15–1.34% at the nanobubble edge, which gradually diminishes toward the center, yielding a cross-sectional strain profile consistent with a doughnut-shaped distribution. Furthermore, we report to achieve ∽5 nm spatial resolution in probing such edge-localized strain within the nanobubble. In addition, comparative average strain analysis of such MoS 2 nanobubbles is conducted via geometric mechanistic analysis such as membrane and nonlinear plate theories, providing key insight into the geometric nature near the bubble edge. Our work provide fundamental information about strain-induced nanoscale chemical understanding of 2D materials on the nanometer scale, paving the way for practical applications of nanobubbles in strain-engineered optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗