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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The importance of ester cleavage in the butylamine pretreatment of hybrid poplar

Butylamine is an effective in-and-out pretreatment solvent for hybrid poplar. It penetrates the cell walls and breaks ester cross-linkages, facilitating lignin release and improving enzymatic digestion. This work explores the “in-and-out” pretreatment of hybrid poplar with butylamine as a distillable protic solvent and reagent. The butylamine solvent can be removed by vacuum distillation with >95% solvent removal in all cases, providing a valuable scheme for efficient solvent recovery and recycling. Running the reaction with neat butylamine at 140 °C for 3 hours results in high yields of monosaccharides (90% glucose and 71% xylose) after enzymatic digestion, and a good tolerance to water content with no significant reduction in glucose yield up to an 8 : 1 water : butylamine ratio. We investigate the mechanisms of this pretreatment using powder X-ray diffraction, thermogravimetric analysis, fluorescence microscopy, elemental analysis, solid state and solution state nuclear magnetic spectroscopy to observe chemical and material markers of the pretreatment chemistry. The results suggest that the butylamine leaves the macro and microstructural properties of the lignocellulose relatively unaltered, but conducts targeted ester cleavage chemistry to remove cross-links between the various biopolymers and partially solubilize the lignin component of the biomass. These findings should act to guide future development of pretreatment chemistry for the development of biorefinery processes, and assist in the utilization of biomass as a starting point for chemical syntheses.

Palasz, Joseph M↗
DOE OSTI2025

Probing the influence of ion-pairing on ligand-field excited-state dynamics

Exploration of the photophysical and photochemical properties of transition metal complexes has driven ground-breaking advancements in solar energy conversion technologies, including photoredox catalysis. While significant research has been devoted to understanding excited state properties of second- and third-row transition metal complexes, earth-abundant first-row metal complexes have received comparatively little attention in this context until very recently. In particular, the role of ion-pairing – which has been identified as a potentially significant factor for Ir(III)-based photosensitizers – has not been examined with regard to its influence on the ligand-field excited states that dominate much of first-row photophysics. A key challenge in studying ion-pair interactions lies in quantifying the extent and nature of ion-pairing, particularly in non-aqueous media where the vast majority of photophysical studies are performed. Cobalt(III) polypyridyl complexes provide an attractive platform to address such questions due to their demonstrated potential for applications in photoredox catalysis involving ligand-field excited states. In the present study, we prepared a cobalt(III) polypyridyl complex, [Co(4,4′-OMebpy) 3 ](BAr F 4 ) 3 (where 4,4′-OMebpy is 4,4′-dimethoxy-2,2′-bipyridine and BAr F 4 is tetrakis(3,5-bis(trifluoromethyl)-phenyl)borate) to probe ion-pairing in non-aqueous solutions. Specifically, analysis of data acquired from both variable-temperature diffusion ordered spectroscopy (DOSY) NMR and 1-D rotating-frame nuclear Overhauser effect (ROE) experiments allowed us to identify and differentiate between solvent-separated ion pairs in high-dielectric media and contact ion pairs in a low-dielectric solvent. Time-resolved absorption spectroscopy was then used to measure ground-state recovery dynamics under these varying conditions of ion-pairing, the results of which revealed an increase in excited-state lifetime for contact ion-pairs that we suggest arises from a reduction in outer-sphere reorganization energy relative to conditions which favored solvent-separated ion pairs. We believe this study demonstrates that one can leverage broadly available NMR-based methods to understand ion-pairing in non-aqueous solutions, which in turn can provide a microscopic picture of intermolecular interactions that can impact the photophysical properties of transition metal-based chromophores.

Ghosh, Atanu [Michigan State University, East Lans↗
DOE OSTI2026

Evaluating Supply Prioritization Strategies for Risk-Informed Decision Making in an Arbitrary Gas Network

Supply disruptions and infrastructure failures in natural gas networks present critical challenges to energy reliability and risk-informed planning. This study evaluates two supply prioritization strategies, Maximum Delivery Prioritization (MDP) and Demand-Based Prioritization (DBP), within an arbitrary natural gas network under conditions of supply shortage. Model performance under both strategies is assessed in response to node and edge failure using demand satisfaction metrics, system-wide and localized dependency scores, and geographic information system (GIS)-based spatial analysis. Results show that DBP better preserves supply for high-demand nodes, while MDP offers broader coverage. The underlying network topology plays a critical role in shaping prioritization outcomes. Integrated GIS visualization enhances the interpretability of vulnerability assessments, revealing structurally critical components and localized vulnerabilities. The proposed framework supports scalable, data-driven decision-making for infrastructure planners and engineers, enabling improved disruption recovery and efficiency in constrained natural gas networks. These insights contribute to the development of more robust energy systems capable of withstanding stress and disruptions.

Peterson, Steven [ORNL] (ORCID:0000000287672998)↗
DOE OSTI2025

Incorporating corrosion design constraints in desalination process optimization: A case study in mechanical vapor compression

Corrosion is an expensive and complex challenge for desalination, yet current design approaches do not explicitly account for corrosion mechanisms in process modeling and technoeconomic analysis. Here, to address this gap, we present a workflow for incorporating corrosion design constraints directly into desalination process optimization models. We develop surrogate models for general and localized corrosion metrics as functions of temperature, pH, salinity, dissolved oxygen, and material using data from OLI Systems’ Corrosion Analyzer. We then integrate these surrogates as corrosion design constraints in a cost-optimization MVC model that minimizes the levelized cost of water (LCOW). For a case study of mechanical vapor compression (MVC) treating seawater across a range of recoveries, we find dissolved oxygen (DO) is the dominant driver of localized corrosion, and thus of cost-optimal material choice and operating conditions. Reducing the DO from 8 mg/L to 0.5 mg/L reduces the LCOW by 15-35%, informing the breakeven costs for implementing DO removal or selecting highly corrosion-resistant alloys. This framework is broadly applicable across corrosion types, materials, and components and enables desalination process design that minimizes capital costs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Analysis of neoclassical tearing mode stabilization experiment by electron cyclotron injection in KSTAR

We report the neoclassical tearing mode (NTM) stabilization experimental results by injection of the electron cyclotron (EC) beam in KSTAR, and its analysis with integrated modelling. In the KSTAR experiment, NTM was intentionally induced and the EC beam was injected by the plasma control system (PCS) to stabilize it. Here, the EC angle was controlled based on the minimum seeking algorithm for the island growth rate. Although the EC angle was not changed significantly, the island width significantly decreased towards the end of the experiment followed by the recovery of plasma performance. To assess the NTM stabilization experiment from a stability perspective, we performed integrated modelling with TRIASSIC utilizing the reconstructed equilibrium with magnetic diagnostics and motional stark effect diagnostics. As a result, we observed that the NTM is stabilized by EC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Upcycling mixed cathode materials to high-energy-density LiFe 0.75 Mn 0.25 PO 4

To address the demand for next-generation cathode materials with high energy density, upcycling LiFePO 4 into LiFe 0.75 Mn 0.25 PO 4 has attracted considerable attention. Nevertheless, existing strategies have yet to achieve both morphology and full elemental recovery under mild ambient conditions. Here, we report an upcycling route that can address this issue by combining leaching and a high-temperature treatment process. The upcycled LiFe 0.75 Mn 0.25 PO 4 exhibits enlarged lattice spacing and a high discharge plateau, and it delivers an energy density of 563.7 Wh/kg, 40.3 Wh/kg higher than recycled LiFePO 4 , which indicates the high value of the proposed upcycling strategy. At 1 C, LiFe 0.75 Mn 0.25 PO 4 also exhibits excellent cycling stability of 91% over 700 cycles. Techno-economic analysis also indicates impressive economic and environmental benefits, including 10.4% less raw materials usage and 12.2% less energy consumption and wastewater generation. This work demonstrates a scalable and economic upcycling strategy and provides a promising pathway for sustainable battery upcycling compatible with industrial conditions.

LMFP↗
DOE OSTI2025

REDOTHERM: a thermodynamic modeling framework for redox-based thermochemical processes

Two-step thermochemical redox cycles are being developed as a potential pathway for the production of hydrogen and syngas. While there are many possible reactor and system configurations, moving oxide systems are considered promising in terms of the redox thermodynamics, due to the potential implementation of a countercurrent system that can achieve higher performance compared to other configurations. There is a lack of a robust thermodynamic modeling framework in the field, with multiple models incorporating incorrect thermodynamic assumptions that violate the second law of thermodynamics. We present in this work REDOTHERM, an open-source system model for moving oxides that incorporates the correct thermodynamic limits, as well as various options for the system auxiliary units including product separation, heat recovery, and oxygen removal. The model is agnostic to the energy source, and could be used for solar thermal or other configurations. We highlight the uses of this model, presenting some of the tradeoffs and challenges in redox-active material selection and how they affect the entire thermochemical hydrogen production process. This model could be easily adapted and used for material exploration, system/reactor design, and technoeconomic analysis.

08 HYDROGEN↗
DOE OSTI2026

Technoeconomic analysis and life cycle assessment of purification processes for captured CO 2 streams

Captured carbon dioxide (CO 2 ) streams contain impurities that must be removed to meet specifications for safe transport, storage, and utilization. Among these impurities, oxygen poses challenges due to its high reactivity and potential to cause corrosion, motivating stringent purity limits below 10 ppmv. Building on recent experimental demonstrations of catalytic oxygen removal using hydrogen (H 2 ), carbon monoxide (CO), methanol (CH 3 OH), and methane (CH 4 ) as reducing agents, this study presents a technoeconomic (TEA) and life cycle assessment (LCA) of these four catalytic purification pathways. Process flowsheets were developed and simulated in Aspen Plus for CO 2 streams representative of both low-temperature and high-temperature capture processes, with integrated heat recovery and energy optimization. Results showed that total purification costs were dominated by feedstock procurement and electricity consumption. Among the studied reducing agents, the CH 4 -assisted route achieved the lowest purification cost and highest CO 2 recovery. Sensitivity analyses showed that the H 2 route became competitive at H 2 prices below $\$$0.56/kg to $\$$0.84/kg, depending on the CO 2 feed temperature conditions. In conclusion, environmental impacts were primarily driven by indirect CO 2 emissions from raw material production and utility consumption.

CO2 pipeline specifications↗
DOE OSTI2025

Security Analysis of a Class of Spread Spectrum Systems Presentation

A method of adding physical layer security to a class of spread spectrum systems has been recently proposed. In this paper, we look into the rate at which an eavesdropper may gain information about the system to decipher the data symbols. The Shannon mutual information is used to measure the rate of information that may be gained by an eavesdropper. The k-nearest neighbors (k-NN) method is used to obtain estimates of relevant entropy values, which will then be used to quantify the rate of information recovery as more data is transmitted. It turns out that such information recovery requires the adoption of special methods that avoid any destructive bias in the estimates. Details of these methods are also presented.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Alkaline mineral residues from pulp mills as a sustainable and economical alternative to lime fertilizers

Lime is typically comprised of calcium carbonate (CaCO 3 ) or calcium magnesium carbonate (CaMg(CO 3 ) 2 ) and is needed to maintain a proper pH in agriculture and forestry soils, but it represents a major cost to growers and results in significant greenhouse gas emissions due to the mining, crushing, and transport required. There is a need to identify existing sources of alkaline mineral wastes and assess their potential as sustainable and cost-effective alternatives to lime. Dregs and grits (DGs) are highly alkaline mineral residues from biomass pulp mills that form during the recovery of pulping chemicals and are mostly comprised of CaCO 3 . For the first time, we assess the efficacy of industrially sourced DGs on 22 acidic soils across the Southeastern United States that are currently used in either agriculture or forestry operations. The application of DGs was found on average to result in the same soil pH response as calcite over multiple soil incubations (0 day to 120 days). An analysis of the carbon content of the soils after the incubation revealed that soils incubated with DGs experienced a statistically significant increase in soil carbon relative to control soils and those incubated with CaCO 3 . The generation and application of DGs emits 0.35 tonnes of CO 2 for every tonne of DGs, which compares favorably to the 0.86 tonnes of CO 2 for every tonne of agricultural lime generated and $85 per tonne lime reported in the literature. DGs prove to be a sustainable and economical substitute for agricultural lime in the acidic soils of the Southeastern United States.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Off-Design Load Analysis of sCO2 Bottoming Cycle for a Natural Gas Combined Cycle Power Plant with Carbon Capture

As an alternative to a steam cycle, a supercritical carbon dioxide (sCO2) power cycle can be considered. Able et. al performed an analysis of an sCO2 cycle in a 2x2-1 configuration; however, this study did not include carbon capture. Previous studies assumed an H-Frame turbine and added a solvent based 95% carbon capture system and performed a levelized cost of electricity (LCOE) optimization for the plant. Their results suggest a LCOE slightly better than when using a steam cycle. In the study, steam is still generated in the heat recovery sections for the solvent regeneration in the carbon capture stripper reboiler. H-Frame gas turbines are also assumed. This work starts with the optimal design from the mentioned work to analyze the off-design performance of the power plant from 100% down to 50% load. The main operational findings and plant-efficiency for off-load conditions while maintaining the target CO2 capture rate are presented. H-Frame gas turbine off-design performance and exhaust conditions to the heat recovery section are obtained from commercial software, Thermoflow®. The CO2 turbomachinery, heat exchangers and other unit operations are sized and implemented in an Aspen Plus® model. Using the gas turbine exhaust conditions as input, the sCO2 cycle is optimized by adjusting stream split ratios, sCO2 circulation flowrate and compressor speed for maximum efficiency. This is done while keeping the target 95% CO2 capture.

Chinen, Anderson Soares↗
DOE OSTI2025

Security Analysis of a Class of Secured Spread Spectrum Systems

Abstract—A method of adding physical layer security to a class of spread spectrum systems has been recently proposed. In this paper, we look into the rate at which an eavesdropper may gain information about the system to decipher the data symbols. The Shannon mutual information is used to measure the rate of information that may be gained by an eavesdropper. The k-nearest neighbors (k-NN) method is used to obtain the estimates of relevant entropy values which will be then used to quantify the rate of information recovery as more data are being transmitted. It turns out that such information recovery requires adoption of special methods that avoid any destructive bias in the estimates. Details of these methods are also presented.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Salinity-Induced Photorespiration in Populus Vascular Tissues Facilitate Nitrogen Reallocation

Adaptation to abiotic stress is critical for the survival of perennial tree species. Salinity affects plant growth and productivity by interfering with major biosynthetic processes. Detrimental effects of salinity may vary between different plant tissues and cell types. However, spatial molecular mechanisms controlling plant responses to salinity stress are not yet thoroughly understood in perennial trees. Here, we used laser capture microdissection in clones of Populus tremula x alba to isolate palisade and vascular cells of intermediary leaf from plants exposed to 150 mM NaCl for 10 days, followed by a recovery period. Cell-specific changes in proteins and metabolites were determined. Salinity induced a vascular-specific accumulation of proteins associated with photorespiration, and the accumulation of serine, 3-phosphoglycerate and NH 4 + suggesting changes in N metabolism. Accumulation of the GLUTAMINE SYNTHETASE 2 protein, and increased GS1.1 gene expression, indicated that NH 4 + produced in photorespiration was assimilated to glutamine, the main amino acid translocated in Populus trees. Further analysis of total soluble proteins in stems and roots showed the accumulation of bark storage proteins induced by the salinity treatments. Collectively, our results suggest that the salt-induced photorespiration in vascular cells mediates N-reallocation in Populus, an essential process for the adaptation of trees to adverse conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Anisotropic structure and optical engineering of strontium titanate and zirconia responding to sequential hydrogen and helium irradiation

Unraveling the correlation between strain engineering with anisotropic optical properties via nanoscale defects gradually evolved into a strategy for fundamental studies and technological applications, yet it remains understudied in functional complex oxides compared to metals and semiconductors. Here, the methodology of strain engineering for the determination of the lattice parameters, parallel/normal to the sample surface, in the individual layers of single-crystalline superlattices is derived, which is based on analysis of high-angle X-ray diffraction measurements in combination with diffraction reciprocal space mapping. With modeling that takes into account the effect of elastic properties, two elastically anisotropic materials, SrTiO 3 and ZrO 2 , have been compared in terms of defect-induced elastic strain caused by individual and sequential H + and He 2+ irradiation. The anisotropic lattice swelling with corresponding refractive index, and obstructive behavior of elastic strain recovery are demonstrated in SrTiO 3 , while approaching strain behaviors accompanied by isotropic refractive index distribution in both orientations are confirmed in ZrO 2 . Under sequential He 2+ /H + irradiation, pre-existing He-vacancy complexes acted as vacancy traps, preferentially capturing H + clusters to induce lattice distortion and enhance absorption. Nanohardness increments (ΔH) calculated by the DBH model matched nanoindentation results, confirming that sequential irradiation generated higher indentation yield stress than individual irradiations.

Anisotropic expansion↗
DOE OSTI2026

Production of high-quality polyethylene (PE) films from post-consumer shrink wrap with solvent targeted recovery and precipitation (STRAP)

The solvent-targeted recovery and precipitation (STRAP™) process separates polymers from contaminants present in the feedstock. In this work, we demonstrate the recyclability of a post-consumer waste (PCW) shrink wrap that contains inks, adhesives, and paper using STRAP. We produced a clear rPE cast film from the PCR shrink wrap with no visual contamination from paper or inks. STRAP decreased the ash content from 0.96 wt% to 0.24 wt%. A techno-economic analysis (TEA) shows that a STRAP plant processing 50,000 metric tons annually of shrink wrap waste (purchased at $\$0.25$/kg) containing 85 wt% PE can achieve an IRR of 16.2% when selling rPE at $\$1.30$/kg, an IRR of 10.7% with an rPE price of $\$1.00$/kg, or an IRR of 3.79% with an rPE price of $\$0.70$/kg. Furthermore, the life cycle assessment (LCA) shows a 64% reduction in global warming potential (kg CO 2 equivalent) when compared to the production of virgin LDPE. As a result, this work shows how feedstocks with insoluble impurities can be recycled using STRAP on a large scale.

Radkevich, Elizaveta [University of Wisconsin-Madi↗
DOE OSTI2026

Linear viscoelastic measurements of commerical therapy putties for design and intuition

This dataset complements the publication Mapping Linear Viscoelasticity for Design and Tactile Intuition (Corman & Ewoldt, 2019). It contains rigorous shear rheometry measurements for six commercial silicone putties, including creep recovery, SAOS, LAOS, and stress relaxation. Additional, unpublished data was generated as part of a graduate rheology course taught by Randy Ewoldt at University of Illinois Urbana-Champaign. Together, these datasets provide a comprehensive example of linear viscoelasticity of a commercial material. The collection is intended both as a pedagogical resource for developing physical intuition in linear viscoelasticity and as a reference dataset for data interpretation, model fitting, and comparative rheological analysis.

C. Marsh, Maxwell↗
DOE OSTI2025

Chelation ion chromatography as an automated, and cost-effective analytical technique for REE determination: method development and applications

Rare earth elements (REEs), as critical minerals, have important uses in modern energy and technologies, yet are vulnerable to potential supply chain disruptions. To establish domestic REE supply chain, efficient REE detection methods for resource characterization and mineral processing will be needed to accelerate innovations for domestic REE recovery. This study developed a rapid, novel, and cost-effective for REE detection method using ion chromatography (IC) for aqueous samples. Various REE-targeted eluent gradients and post-column agent compositions were tested on the chelation ion chromatography (CIC) with UV-vis detector for optimal separation and quantification of REEs within approximately 20 min. The single-channel pump to deliver the post-column solution to UV-vis detector was replaced with a 4-channel gradient pump, to increase operation and maintenance efficiencies. After method optimization, resulting calibration curves for more than ten REEs achieved high coefficients of determination (R2>0.999) and low relatively standard deviations (below 3.24%), demonstrating sub-ppm level detection limits (0.0897 to 0.1149 mg/L). The reliability of the CIC method was validated through comparison with inductively coupled plasma mass spectrometry (ICP-MS), showing strong agreement in REE recovery from certified standards. The impact of metal ions and salts on REE recovery using CIC was also systematically investigated. CIC consistently exhibited reliable performance in the presence of salt solutions such as NaCl and Na₂SO₄ (up to 10,000 mg/L). Our study also found the presence of high concentrations of Al ions (at 10,000 mg/L) significantly influenced REE determination, and elevated concentrations of Ca ions affected the recovery of specific REEs, including La, Ce, and Pr. The CIC method was further tested on REE-containing eluents from solvent extraction tests out of fly ash leachates. REE detection from these real processing fluids were reported to achieve 90% to 100% recovery rate from our IC method, compared to ICP-MS results. This study underscores the potential of CIC as a reliable and efficient alternative for REE determination in complex matrices. It also highlights the importance of minimizing select interfering metal ions in solutions to ensure accurate results. The REE CIC method presents a promising, low-maintenance, salt-tolerant, and cost-effective alternative to traditional analytical methods for REE analysis.

detection of rare earth elements (REE)↗
DOE OSTI2025

The Pseudoenzyme β‐Amylase9 From Arabidopsis Activates α‐Amylase3: A Possible Mechanism to Promote Stress‐Induced Starch Degradation

ABSTRACT Starch accumulation in plants provides carbon for nighttime use, for regrowth after periods of dormancy, and for times of stress. Both ɑ‐ and β‐amylases (AMYs and BAMs, respectively) catalyze starch hydrolysis, but their functional roles are unclear. Moreover, the presence of catalytically inactive amylases that show starch excess phenotypes when deleted presents questions on how starch degradation is regulated. Plants lacking one of these catalytically inactive β‐amylases, BAM9, have enhanced starch accumulation when combined with mutations in BAM1 and BAM3, the primary starch degrading BAMs in response to stress and at night, respectively. BAM9 has been reported to be transcriptionally induced by stress although the mechanism for BAM9 function is unclear. From yeast two‐hybrid experiments, we identified the plastid‐localized AMY3 as a potential interaction partner for BAM9. We found that BAM9 interacted with AMY3 in vitro and that BAM9 enhances AMY3 activity about three‐fold. Modeling of the AMY3‐BAM9 complex predicted a previously undescribed alpha–alpha hairpin in AMY3 that could serve as a potential interaction site. Additionally, AMY3 lacking the alpha–alpha hairpin is unaffected by BAM9. Structural analysis of AMY3 showed that it can form a homodimer in solution and that BAM9 appears to replace one of the AMY3 monomers to form a heterodimer. The presence of both BAM9 and AMY3 in many vascular plant lineages, along with model‐based evidence that they heterodimerize, suggests that the interaction is conserved. Collectively these data suggest that BAM9 is a pseudoamylase that activates AMY3 in response to cellular stress, possibly facilitating stress recovery.

Biochemistry & Molecular Biology↗