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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Nanoelectric Materials Laboratory Development

The Ultracapacitor Research and Development project is a collaborative effort between the NASA Marshall Space Flight Center's (MSFC's) ES43 Parts, Packaging, and Fabrication Branch and the EM41 Nonmetallic Materials Branch. NASA's Ultracapacitor Research is an effort to develop solid-state energy storage devices through processing of ceramic materials into printable dielectric inks, which can be formed and treated to produce solid state ultracapacitor cells capable of exceeding lithium-ion battery energy density at a fraction of the weight. Research and development efforts into solid state ultracapacitors have highlighted a series of technical challenges such as understanding as-received nature of ceramic powders, treatment and optimization of ceramic powders, dielectric and conductor ink formulation, and firing of printed (green) ultracapacitor cells. Two facilities have been continually developed since project inception: the Additive Electronics Lab in Bldg. 4487 and the Nanoelectric Materials Lab in Bldg. 4602. The Nanoelectric Materials Lab has become a unique facility at MSFC, capable of custom processing a wide range of media for additive electronics. As research has progressed, it was discovered that additional in-house processing was necessary to achieve smaller, more uniform particle diameters. A vibratory mill was obtained that can agitate powder and media in three directions, which has shown to be much more effective than ball milling. However, in order to understand the effects of milling, a particle size analysis system has been installed to characterize as-received and milled materials Continued research into the ultracapacitor technology included advanced milling and optimization of ceramic nanoparticles, fluidized bed treatment of atomic-layer deposition- (ALD-) coated ceramic particles, custom development of dielectric and conductor inks, as well as custom ink precursors such as polyvinylidene diflouride- (PVDF-) loaded vehicles. Experiments with graphene-based inks were also conducted.

Allen, Lee↗
DOE OSTI2025

Binder Effects on Processing, Mechanical Properties, and Performance of Thin Sulfide Solid‐State Electrolytes

All‐solid‐state batteries (ASSBs) offer enhanced safety and energy density compared to conventional lithium‐ion batteries by replacing flammable liquid electrolytes with solid‐state electrolytes (SSEs). Among SSEs, sulfide‐based electrolytes exhibit high ionic conductivity and mechanical deformability, making them promising candidates for next‐generation energy storage. However, their practical implementation is hindered by interfacial instability, mechanical brittleness, and challenges in fabricating ultrathin electrolyte membranes (<30 μm) with robust mechanical integrity. Here, this study systematically examines the influence of polymeric binders—polyisobutylene, hydrogenated nitrile butadiene rubber, and styrene–ethylene–butylene–styrene (SEBS)—on the structural, mechanical, and electrochemical performance of thin sulfide SSE membranes. Key findings reveal that SEBS enables the fabrication of ultrathin, uniform membranes, while binder elasticity significantly affects structural stability during cycling. Operando stack pressure measurements indicate that binder properties directly influence adhesion force for LPSCl particles, influencing their stabilizing cycling period. These results underscore the critical role of polymer binders beyond mechanical reinforcement, positioning them as essential design variables in sulfide SSE engineering. By linking binder chemistry to processability and electrochemical performance, this study provides insights into optimizing sulfide SSEs, advancing their commercial viability in ASSBs.

argyrodite sulfide electrolyte↗
DOE OSTI2022

Modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge

In this work, we present the results of two-dimensional modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge. A multiscale adaptive reduced chemistry solver for plasma assisted combustion (MARCS-PAC) based on PASSKEy discharge modeling package and compressible multi-component reactive flow solver ASURF+ is developed and validated. This model is applied to simulate the impact of non-equilibrium plasma excitation and electrode geometry and heat loss on the dynamics of the discharge from streamer to spark and ignition kernel development in a H 2 /air mixture with a pair of cylindrical electrodes. The results show that the plasmagenerated species (N 2 (A), N 2 (B), N 2 (a'), N 2 (C), O( 1 D), O and H) in the spark and afterglow significantly accelerate the ignition kernel development. The increase of discharge voltage at the same total discharge energy promotes the non-equilibrium active species production. It is found that the production of electronically excited species at higher reduced electric field strength is more efficient in enhancing ignition in comparison to the vibrational excitation and heating. Moreover, the 2D simulation clearly reveals that the electric field and active species distribution are highly non-uniform. The streamers are initiated at the sharp outer edges of the negative and positive electrodes by a strong electric field while the electric field is much weaker at the centerline of the electrodes. Furthermore, the simulations reveal that the ignition enhancement is sensitive to the variation of electrode shape, diameter, and gap size due to the changes of electric field distribution and location of streamer formation. A cylindrical electrode produces a larger discharge volume and ignition kernel than the parabolic and spherical electrodes, when the discharge is localized near the axis of the gap. It is found that there is a non-monotonic dependence of ignition kernel size on the electrode diameter and inter-electrode distance. The increase of electrode diameter and gap size above the optimal conditions leads to the reduction of ignition kernel volume, due to the decrease of active species concentration and gas temperature. At a larger electrode surface area and electrode diameter as well as smaller electrode gap size, the heat loss to electrode plays a greater role in reducing the ignition kernel size and slowing ignition kernel development. This work provides insights and guidance to understand the kinetic enhancement of non-equilibrium plasma and the effects of electrode geometries on ignition for the optimization ignitors in advanced engines.

42 ENGINEERING↗
DOE OSTI2026

Optimizing district energy systems by integrating Borehole Thermal Energy Storage Using a Mixed-Integer Linear Programming g-function framework with a Multi-Timescale Rolling Horizon method

Shallow geothermal has gained increasing attention in recent years; however, a reliable framework for its accurate incorporation into large-scale energy system optimization remains lacking. This study proposes a Mixed-Integer Linear Programming (MILP) framework combined with the g-function approach to integrate Borehole Thermal Energy Storage (BTES) technology into energy system optimization. Validation against a Modelica-based reservoir network simulation demonstrates that the proposed framework effectively captures the ground thermal response under varying energy loads and accurately estimates the borefield energy supply. To enhance scalability, a Rolling Horizon with Multi-Timescale (RH-MTS) method is further introduced, reducing computational time by 73 % for the 1-year optimization model with only minor loss of optimality. The framework is demonstrated through the case study of the UC Berkeley campus. Results indicate that BTES is a cost-effective and low-carbon solution: two borefields comprising 382 boreholes can meet 8.0 % and 6.6 % of the total campus heating and cooling demand, respectively, at an average energy rate of 0.70–0.77 USD/kWh and carbon intensity of 0.54 kg-CO2/kWh. Short-term analysis reveals a 35%–65% decline in BTES energy flow after 3–6 months of continuous heating/cooling operation, while long-term simulation shows that annual energy production of BTES can vary by up to 12.0 % after four years before stabilizing. Overall, this study develops a novel optimization framework that couples physics-based g-function method with MILP optimization framework, thereby advancing methodological development for shallow-geothermal integration and providing actionable guidance for BTES deployment in district-energy systems.

Yang, Jiahui↗
DOE OSTI2025

Comparative life cycle assessment of a modular cross-laminated timber residential building designed for disassembly and reuse versus traditional wood frame construction

There is a need for affordable housing across the U.S., with high-performance modular and prefabricated buildings providing a logical avenue for meeting some of this demand. However, there is a need to balance high performance construction – including low emissions – with affordability. To provide a proof-of-concept in meeting these goals, the Circular Home is a cross-laminated timber (CLT)-based deconstructible and reconfigurable single-family residence that meets high performance targets in moisture, energy, design, economics, and life cycle assessment (LCA). This study focuses on the LCA, presenting a cradle-to-cradle whole-building life cycle assessment (WBLCA) for the Circular Home and a functionally equivalent Baseline Home constructed with traditional materials and methods. The functional unit is 1 m 2 of gross floor area across 60 years. Revit building information models (BIM) provided material quantities and Tally LCA was utilized for impact data (inclusive of biogenic carbon sequestration), supplemented with manufacturer environmental product declarations (EPDs). The Circular Home outperforms the baseline residence in most measured impact categories, including global warming potential (GWP), producing −2.73 kgCO 2 eq/m 2 in embodied emissions, whereas the modeled baseline has an embodied GWP of 428 kgCO 2 eq/m 2 . The careful material selection and advanced building design optimizes performance, with the Circular Home containing only −0.006 times the embodied emissions and −0.02 times the operational emissions of its traditional counterpart. Finally, the unique contribution of this work is in the environmental impact comparison of a high-performance modular CLT structure that can be affordably scaled and mass produced in a U.S. market, compared to typical single family home construction.

Circularity↗
DOE OSTI2025

Conditional guide RNA deactivation by mRNA and small molecule triggers in Saccharomyces cerevisiae

CRISPR interference (CRISPRi) technologies have revolutionized bioengineering by providing precise tools for gene expression modulation, enabling targeted gene perturbation and metabolic pathway optimization. Despite these advances, achieving dynamic control over gene expression by CRISPR-based regulation remains a challenge due to its inherently static nature. Utilizing toehold-mediated strand displacement and ligand-responsive ribozymes (aptazymes), this study introduces switchable guide RNAs (gRNAs) that facilitate tunable gene expression mediated by mRNA or small molecule signals. We demonstrate complete silencing of gRNA via strategically designed 5’ or 3’ extensions that impede the gRNA spacer or the dCas9 handle, with subsequent restoration of function through sequestration or cleavage of the obstructive sequence. The resulting toehold-embedded or aptazyme-embedded gRNAs can be deactivated by specific signals, including two full-length translatable mRNAs and two small molecule triggers, thereby lifting CRISPRi repression on targeted genes. This modular approach allows for gRNA-based biocomputing through multi-layer or multi-input genetic logic gates in Saccharomyces cerevisiae . Offering a versatile strategy for post-CRISPR regulation in response to environmental signals or cellular states, this methodology expands the toolkit in eukaryotic systems for reversible control of gene expression.

Aptazyme↗
DOE OSTI2023

Theoretical Perspective of Promoting Direct Methane-to-Methanol Conversion at Complex Metal Oxide–Metal Interfaces

Direct methane conversion to methanol has been considered as an effective and economic way to release greenhouse effects and current high demand on methanol in industry. However, the process has long been challenging due to lack of viable catalysts to compromise the activation of methane that typically occurs high temperatures and retaining of produced methanol that requires mild conditions. Here, this perspective demonstrates an effective strategy to promote direct methane to methanol conversion by engineering the active sites and chemical environments at complex metal oxide - copper oxide - copper interfaces. Such effort strongly depends on the extensive theoretical studies by combining density functional theory (DFT) calculations and kinetic Monte Carlo (KMC) simulations to provide in-depth understanding of reaction mechanism and active sites, which built the strong basis to enable the identification of design principles and advance the catalyst optimization for selective CH 4 -to-CH 3 OH conversion.

03 NATURAL GAS↗
DOE OSTI2019

Resolving the Ultrafast Changes of Chemically Inequivalent Metal–Ligand Bonds in Photoexcited Molecular Complexes with Transient X-ray Absorption Spectroscopy

Photoactive transition-metal complexes that incorporate heteroleptic ligands present a fast coordination shell, which is asymmetric. While it is generally expected that the metal-ligand bond lengths respond differently to photoexcitation, resolving these fine structural changes remains experimentally challenging, especially for flexible multidentate ligands. Here, ultrafast X-ray absorption spectroscopy is employed to capture directly the asymmetric elongations of chemically inequivalent metal-ligand bonds in the photoexcited spin-switching Fe-II complex [Fe-II(tpen)](2+) solvated in acetonitrile, where tpen denotes N,N,N',N'-tetrakis(2-pyridylmethyl)-1,2-ethylenediamine. The possibility to correlate precisely the nature of the donor/acceptor coordinating atoms to specific photoinduced structural changes within a binding motif will provide advanced diagnostics for optimizing numerous photoactive chemical and biological building blocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

A biochemical framework for anaerobic oxidation of methane driven by Fe(III)-dependent respiration

Consumption of methane by aerobic and anaerobic microbes governs the atmospheric level of this powerful greenhouse gas. Whereas a biochemical understanding of aerobic methanotrophy is well developed, a mechanistic understanding of anaerobic methanotrophy has been prevented by the unavailability of pure cultures. Here we report a biochemical investigation of Methanosarcina acetivorans, a methane-producing species capable of anaerobic methanotrophic growth dependent on reduction of Fe(III). Our findings support a pathway anchored by Fe(III)-dependent mechanisms for energy conservation driving endergonic reactions that are key to methanotrophic growth. The pathway is remarkably similar to pathways hypothesized for uncultured anaerobic methanotrophic archaea. The results contribute to an improved understanding of the methane cycle that is paramount to understanding human interventions influencing Earth’s climate. Finally, the pathway enables advanced development and optimization of biotechnologies converting methane to value-added products through metabolic engineering of M. acetivorans.

09 BIOMASS FUELS↗
DOE OSTI2025

Non-fluorinated electrolyte for high-voltage anode-free sodium metal battery

Abundant sodium (Na) batteries are a sustainable alternative to resource-constrained lithium-ion batteries, offering huge cost advantages. However, developing high-voltage anode-free sodium metal batteries (SMBs) to narrow the energy density gap with lithium-ion batteries is hindered by a critical challenge: existing electrolytes cannot simultaneously achieve ultra-high Na coulombic efficiency and anodic stability. Here, in this study, we present a rationally designed non-fluorinated electrolyte (1.0 M NaPF 6 in 1,2-diethoxyethane/1,2-di-tert-butoxyethane) to address this key limitation, achieving Na coulombic efficiency of >99.95% and anodic stability of >4.8 V. For coin cells (2.0 mAh cm −2 , N/P = 1.7), our electrolyte design enables 4.0 V Na | |Na 3 V 2 (PO 4 ) 3 (NVP) at 5 C and 4.3 V Na | |NaNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) at 0.3 C for 5,000 and 500 cycles with a capacity retention >80%. Remarkably, the 50 mAh anode-free pouch cells 4.0 V Al | |NVP and 4.3 V Al | |NMC622 also achieve 500 and 300 cycles (retention >75%) with a specific energy of >360 Wh kg (electrode) −1 . This work focuses on electrolyte optimization and conceptual advances, whereas critical aspects such as safety, large-scale manufacturability and practical feasibility of SMBs require further investigation. The electrolyte design using non-fluorinated solvents enhances the anodic stability without sacrificing Na efficiency, laying groundwork for advancing low-cost, high-energy SMBs and supporting the transition to sustainable battery technologies.

25 ENERGY STORAGE↗
DOE OSTI2022

A Unified Protocol for CRISPR/Cas9-Mediated Gene Knockout in Tephritid Fruit Flies Led to the Recreation of White Eye and White Puparium Phenotypes in the Melon Fly

Abstract Tephritid fruit flies are among the most invasive and destructive agricultural pests worldwide. Over recent years, many studies have implemented the CRISPR/Cas9 genome-editing technology to dissect gene functions in tephritids and create new strains to facilitate their genetics, management, and control. This growing literature allows us to compare diverse strategies for delivering CRISPR/Cas9 components into tephritid embryos, optimize procedures, and advance the technology to systems outside the most thoroughly studied species within the family. Here, we revisit five years of CRISPR research in Tephritidae and propose a unified protocol for candidate gene knockout in fruit flies using CRISPR/Cas9. We demonstrated the efficiency of our protocol by disrupting the eye pigmentation gene white eye (we) in the melon fly, Zeugodacus cucurbitae (Coquillett) (Diptera: Tephritidae). High rates of somatic and germline mutagenesis were induced by microinjecting pre-assembled Cas9-sgRNA complexes through the chorion of embryos at early embryogenesis, leading to the rapid development of new mutant lines. We achieved comparable results when targeting the we orthologue in the oriental fruit fly, Bactrocera dorsalis (Hendel) (Diptera: Tephritidae), illustrating the reliability of our methods when transferred to other related species. Finally, we functionally validated the recently discovered white pupae (wp) loci in the melon fly, successfully recreating the white puparium phenotype used in suppression programs of this and other major economically important tephritids. This is the first demonstration of CRISPR-based genome-editing in the genus Zeugodacus, and we anticipate that the procedures described here will contribute to advancing genome-editing in other non-model tephritid fruit flies.

Entomology↗
DOE OSTI2018

Tunable Bandgap GaInAsP Solar Cells With 18.7% Photoconversion Efficiency Synthesized by Low-Cost and High-Growth Rate Hydride Vapor Phase Epitaxy

As market-dominant Si solar cell technology approaches its practical efficiency limit of 27.1%, a key challenge for the photovoltaic industry is to search for a low-cost ~1.7 eV top cell that can enable cost-competitive tandems with solar-to-electricity conversion efficiency exceeding 30%. III-V semiconductors offer tunable bandgap and unparalleled efficiencies for tandem devices. However, their high manufacturing cost has been the biggest impediment for market entry. Hydride vapor phase epitaxy (HVPE) has recently reemerged as a promising low-cost alternative to incumbent metalorganic chemical vapor deposition (MOCVD) for III-V solar cells. Here, we show the first demonstration of ~1.7 eV GaInAsP solar cells that achieve nearly 19% photoconversion efficiency synthesized by HVPE. The unprecedented growth rate of ~42 um/h achieved via HVPE (~10x faster than conventional MOCVD) allowed the device layers to be deposited in less than seven minutes. Nearly abrupt and chemically distinct heterointerfaces were attained in spite of high-growth rates, which are known to exacerbate phase separation in GaInAsP alloys. Demonstration of ideality factor of n=1 at max power point highlight the advancements in growth optimization and device design. The results presented here highlight a promising path toward tunable bandgap, high-growth rate, low-cost, and high-efficiency GaInAsP devices for direct solar-to-electricity and solar-to-hydrogen conversion.

14 SOLAR ENERGY↗
DOE OSTI2023

Enabling Scalable VQE Simulation on Leading HPC Systems

Large-scale simulations of quantum circuits pose significant challenges, especially in the context of quantum chemistry, due to the number of qubits, circuit depth, and the number of circuits needed per problem. High-performance computing (HPC) systems offer massive computational capabilities that could help overcome these obstacles. We developed a high-performance quantum circuit simulator, called NWQ-Sim, and demonstrate its capability to simulate large quantum chemistry problems on NERSC's Perlmutter supercomputer. Integrating NWQ-Sim with XACC, we have executed QPE and VQE algorithms for downfolded quantum chemistry systems at unprecedented scales. Our work demonstrates the potential of leveraging HPC resources to advance quantum chemistry and other applications of near-term quantum devices.

Wang, Meng↗
DOE OSTI2016

Advanced Computational Framework for Environmental Management ZEM, Version 1.x

Typically environmental management problems require analysis of large and complex data sets originating from concurrent data streams with different data collection frequencies and pedigree. These big data sets require on-the-fly integration into a series of models with different complexity for various types of model analyses where the data are applied as soft and hard model constraints. This is needed to provide fast iterative model analyses based on the latest available data to guide decision-making. Furthermore, the data and model are associated with uncertainties. The uncertainties are probabilistic (e.g. measurement errors) and non-probabilistic (unknowns, e.g. alternative conceptual models characterizing site conditions). To address all of these issues, we have developed an integrated framework for real-time data and model analyses for environmental decision-making called ZEM. The framework allows for seamless and on-the-fly integration of data and modeling results for robust and scientifically-defensible decision-making applying advanced decision analyses tools such as Bayesian- Information-Gap Decision Theory (BIG-DT). The framework also includes advanced methods for optimization that are capable of dealing with a large number of unknown model parameters, and surrogate (reduced order) modeling capabilities based on support vector regression techniques. The framework is coded in Julia, a state-of-the-art high-performance programing language (http://julialang.org). The ZEM framework is open-source and can be applied to any environmental management site. The framework will be open-source and released under GPL V3 license.

Vesselinov, VelimirV.↗
DOE OSTI2021

Modeling the Metabolic Costs of Heavy Military Backpacking

Existing predictive equations underestimate the metabolic costs of heavy military load carriage. Metabolic costs are specific to each type of military equipment, and backpack loads often impose the most sustained burden on the dismounted warfighter. This study aimed to develop and validate an equation for estimating metabolic rates during heavy backpacking for the US Army Load Carriage Decision Aid (LCDA), an integrated software mission planning tool. Thirty healthy, active military-age adults (3 women, 27 men; age, 25 ± 7 yr; height, 1.74 ± 0.07 m; body mass, 77 ± 15 kg) walked for 6–21 min while carrying backpacks loaded up to 66% body mass at speeds between 0.45 and 1.97 m·s -1 . A new predictive model, the LCDA backpacking equation, was developed on metabolic rate data calculated from indirect calorimetry. Model estimation performance was evaluated internally by k-fold cross-validation and externally against seven historical reference data sets. We tested if the 90% confidence interval of the mean paired difference was within equivalence limits equal to 10% of the measured metabolic rate. Estimation accuracy and level of agreement were also evaluated by the bias and concordance correlation coefficient (CCC), respectively. Estimates from the LCDA backpacking equation were statistically equivalent ( P < 0.01) to metabolic rates measured in the current study (bias, -0.01 ± 0.62 W·kg -1 ; CCC, 0.965) and from the seven independent data sets (bias, -0.08 ± 0.59 W·kg -1 ; CCC, 0.926). The newly derived LCDA backpacking equation provides close estimates of steady-state metabolic energy expenditure during heavy load carriage. These advances enable further optimization of thermal-work strain monitoring, sports nutrition, and hydration strategies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Gas-Electrical Grid Coordination for Cross Infrastructure Resilience Enhancement

An electric power grid is exceedingly faced with extreme events, such as physical attacks and natural disasters. In comparison, the underground natural gas pipeline-based transportation network is considered less vulnerable to such environmental threats. We consider that the overhead power transmissions can be hardened by replacing segments of electric power system with underground natural gas pipelines as an energy transportation system to counter effect extreme events which can damage interdependent infrastructures severely. This project investigates an extension of the power system planning problem considering extreme events and identifies the feasibility of solving this problem with advanced modeling and optimization methods. The proposed planning framework is formulated as a two-stage optimization problem. It is found that the integrated planning introduces the additional cost of pipeline planning and the operation constraints into the power system planning. However, gas pipelines are generally less exposed to extreme events, which can provide a more resilient power transmission for supplying the electrical loads. It is with this potential for enhancing the power grid resilience that the proposed integrated expansion of electricity and natural gas system is considered an optimal layout for the transportation of energy.

24 POWER TRANSMISSION AND DISTRIBUTION↗