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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

ProCAFD: Computer-aided Tool for Sustainable Process Synthesis, Intensification and Hybrid solutions

Process industry is always in quest for innovative designs which are both efficient, safe and sustainable. The feasible search space of all unit operations that can be combined to generate process flowsheet alternatives for a given synthesis problem can be large and difficult to manually navigate in order to determine the best processing route. Therefore, it is helpful to utilize computer-aided methods and tools to enumerate, analyze and determine within the design space, the more sustainable processes. In this study, an integrated computer-aided method and corresponding software-tool that’s capable of generating and searching the entire design space for more sustainable process options is presented. In this work a comprehensive analysis method consisting of economic, life cycle, sustainability and process safety indicators is used to identify process bottlenecks on the selected alternative which are translated to design targets. Matching of these design targets minimizes/eliminates the process hot-spots and, thereby generating non-trade-off innovative process designs.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

A hybrid voice/data modulation for the VHF aeronautical channels

A method of improving the spectral efficiency of the existing Very High Frequency (VHF) Amplitude Modulation (AM) voice communication channels is proposed. The technique is to phase modulate the existing voice amplitude modulated carrier with digital data. This allows the transmission of digital information over an existing AM voice channel with no change to the existing AM signal format. There is no modification to the existing AM receiver to demodulate the voice signal and an additional receiver module can be added for processing of the digital data. The existing VHF AM transmitter requires only a slight modification for the addition of the digital data signal. The past work in the area is summarized and presented together with an improved system design and the proposed implementation.

Akos, Dennis M.↗
DOE OSTI2026

Thermokinetic mixing compounding for polymer composites – a comprehensive review

High-speed thermokinetic mixers (K-mixers) represent an advanced compounding technology that employs intense shear and friction to convert kinetic energy directly into thermal energy. This mechanism enables rapid mixing cycles, often under one minute, facilitating exceptional filler dispersion while minimizing the material’s thermal history. This is particularly effective for compounding challenging materials, including heat-sensitive biopolymers, wet filler feedstocks, and nanofillers prone to agglomeration. As the first comprehensive review of this technology, this article synthesizes the fundamental principles of thermokinetic mixing (K-mixing) and surveys recent advances in polymer composite fabrication. We contrast the working principles of K-mixers with conventional twin-screw extrusion, highlighting distinct advantages in dispersing nanoscale fillers, exfoliating layered materials, and processing wet cellulosic feedstocks and ultra-high filler loadings (e.g., 85 wt%). Furthermore, strategies to optimize filler–matrix interfacial bonding under rapid-processing constraints, such as the kinetic selection of compatibilizers and fiber surface treatments, are evaluated. Finally, we analyze key structure-processing-property relationships and outline future directions in scaling up, reactive processing, and hybrid material development.

Zhang, Xuefeng [University of Maine]↗
DOE OSTI2020

A Tchebycheff-based multi-objective combined with a PSO–SQP dynamic real-time optimization framework for cycling energy systems

The aim in this work is to develop an optimization framework to address cycling of baseload energy systems due to the penetration of renewables into the grid. The developed strategy corresponds to a multi-objective and dynamic real-time optimization (MOO-DRTO) framework applied to a postcombustion MEA-based CO 2 capture process from a baseload coal-fired power plant under cycling conditions. A Tchebycheff-based method is used for the multi-objective optimization (MOO) component. Also, a hybrid approach consisting of Particle Swarm Optimization (PSO) and Sequential Quadratic Programming (SQP) is implemented for the first time in process systems engineering to solve the dynamic real-time optimization (DRTO) component. The objectives considered in the MOO-DRTO framework are economic and environmental. The proposed MOO-DRTO strategy is successfully implemented and 24-h optimal output trajectories for the carbon capture system under cycling are generated. Also, the optimal compromise is chosen from the Pareto front according to a set of selected weights for the objectives with minimal interaction between the framework and decision maker. The results indicated that the developed framework has potential to be extended to plant-wide optimization applications under cycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Separate sensible and latent cooling: Carnot limits and system taxonomy

Energy efficiency and thermal comfort can be improved by independent control of temperature and humidity. In recent work, an emerging class of cooling systems known as separate sensible and latent cooling (SSLC) systems have demonstrated 14 to 47% energy savings, while simultaneously providing better comfort control than conventional air conditioning. In this work, SSLC is defined as using two or more cooling processes with unequal sensible heat ratio (SHR) to control temperature and humidity independently and dynamically. Fundamental efficiency limits of SSLC systems are developed for the first time, demonstrating that the Carnot efficiency for SSLC is higher than that of conventional systems. It is revealed that SSLC has particularly high potential for moderate outdoor temperatures, high sensible building loads, and drier indoor conditions. Additionally, this work proposes a classification scheme for SSLC systems, revealing an enormous number of feasible cycle permutations. This provides a framework for the important research task of developing SSLC systems that will save energy, be practical to construct, and be controllable.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Quadrupolar excitons and hybridized interlayer Mott insulator in a trilayer moiré superlattice

Transition metal dichalcogenide (TMDC) moiré superlattices, owing to the moiré flatbands and strong correlation, can host periodic electron crystals and fascinating correlated physics. The TMDC heterojunctions in the type-II alignment also enable long-lived interlayer excitons that are promising for correlated bosonic states, while the interaction is dictated by the asymmetry of the heterojunction. Here we demonstrate a new excitonic state, quadrupolar exciton, in a symmetric WSe 2 -WS 2 -WSe 2 trilayer moiré superlattice. The quadrupolar excitons exhibit a quadratic dependence on the electric field, distinctively different from the linear Stark shift of the dipolar excitons in heterobilayers. This quadrupolar exciton stems from the hybridization of WSe 2 valence moiré flatbands. The same mechanism also gives rise to an interlayer Mott insulator state, in which the two WSe 2 layers share one hole laterally confined in one moiré unit cell. In contrast, the hole occupation probability in each layer can be continuously tuned via an out-of-plane electric field, reaching 100% in the top or bottom WSe 2 under a large electric field, accompanying the transition from quadrupolar excitons to dipolar excitons. Our work demonstrates a trilayer moiré system as a new exciting playground for realizing novel correlated states and engineering quantum phase transitions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Machine learning enabled discovery of application dependent design principles for two-dimensional materials

Abstract The unique electronic and mechanical properties of two-dimensional (2D) materials make them promising next-generation candidates for a variety of applications. Large-scale searches for high-performing 2D materials are limited to calculating descriptors with computationally demanding first-principles density functional theory. In this work, we alleviate this issue by extending and generalizing crystal graph convolutional neural networks to systems with planar periodicity and train an ensemble of models to predict thermodynamic, mechanical and electronic properties. We carry out a screening of nearly 45,000 structures for two separate applications: mechanical strength and photovoltaics. By collecting statistics of the screened candidates, we investigate structural and compositional design principles that impact the properties of the structures surveyed. Our approach recovers some well-accepted design rules: hybrid organic-inorganic perovskites with lead and tin tend to be good candidates for solar cell applications and titanium based MXenes usually have high stiffness coefficients. Interestingly, other members of the group 4 elements also contribute to increasing the mechanical strength of MXenes. For all-inorganic perovskites, we discover some compositions that have not been deeply studied in the field of photovoltaics and thus open up paths for further investigation. We open-source the code-base to spur further development in this space.

Venturi, Victor (ORCID:0000000156727549)↗
DOE OSTI2024

Influence of temperature, doping, and amorphization on the electronic structure and magnetic damping of iron

Hybrid magnonic quantum systems have drawn increased attention in recent years for coherent quantum information processing, but too large magnetic damping is a persistent concern when metallic magnets are used. Their intrinsic damping is largely determined by electron-magnon scattering induced by spin-orbit interactions. In the low scattering limit, damping is dominated by intra-band electronic transitions, which has been theoretically shown to be proportional to the electronic density of states at the Fermi level. In this work, we focus on body-centered-cubic iron as a paradigmatic ferromagnetic material. We comprehensively study its electronic structure using first-principles density functional theory simulations and account for finite lattice temperature, boron (B) doping, and structure amorphization. Our results indicate that temperature induced atomic disorder and amorphous atomic geometries only have a minor influence. Instead, boron doping noticeably decreases the density of states near the Fermi level with an optimal doping level of 6.25%. In addition, we show that this reduction varies significantly for different atomic geometries and report that the highest reduction correlates with a large magnetization of the material. Furthermore, this may suggest materials growth under external magnetic fields as a route to explore in experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Strong Superexchange in a $d^{9–δ}$ Nickelate Revealed by Resonant Inelastic X-Ray Scattering

The discovery of superconductivity in a $d^{9–δ}$ nickelate has inspired disparate theoretical perspectives regarding the essential physics of this class of materials. A key issue is the magnitude of the magnetic superexchange, which relates to whether cuprate-like high-temperature nickelate superconductivity could be realized. In this work, we address this question using Ni L-edge and O K-edge spectroscopy of the reduced $d^{9–1/3}$ trilayer nickelates R 4 Ni 3 O 8 (where R = La, Pr) and associated theoretical modeling. A magnon energy scale of ~80 meV resulting from a nearest-neighbor magnetic exchange of J = 69 (4) meV is observed, proving that $d^{9–δ}$ nickelates can host a large superexchange. This value, along with that of the Ni-O hybridization estimated from our O K-edge data, implies that trilayer nickelates represent an intermediate case between the infinite-layer nickelates and the cuprates. Layered nickelates thus provide a route to testing the relevance of superexchange to nickelate superconductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Scalar flux transport models for self-similar turbulent mixing

A common approach to closing turbulent species flux in multicomponent Reynolds-averaged Navier-Stokes models is to use the standard gradient diffusion approximation. While such an approach has been shown to work well when applied to many canonical turbulent mixing configurations, a gradient diffusion approach is fundamentally limited in its ability to capture complex phenomena such as countergradient transport. For this reason, complicated mixing applications may benefit by treating the turbulent diffusivity with a model transport equation in a manner analogous to second-moment momentum closure in Reynolds-stress transport models. Here, the present work explores the development and application of two different scalar flux transport (SFT) models. Self-similarity constraints are derived for these models, and they are evaluated against gradient-diffusion-based models in several one- and two-dimensional problems of turbulent mixing. It is found that the new SFT models out-perform gradient diffusion models in problems involving rapid acceleration reversal and in problems involving anisotropic transport of materials. In addition, it is found that even a hybrid-SFT approach, in which an SFT equation is utilized along with a gradient diffusion closure, provides some measure of improvement over models that transport the mass flux rather than the scalar flux.

Reynolds-averaged Navier Stokes↗
DOE OSTI2024

A NUMERICAL STUDY OF HEAT TRANSFER IN THE FUEL CELL OF A SOLID OXIDE FUEL CELL-COMBUSTOR

A Solid Oxide Fuel Cell-Combustor (SOFC-C) concept was proposed to address many challenges a traditional fuel cell-gas turbine hybrid system (FC-GT) will have in aerospace applications. By taking advantage of the temperature rise during compression and the combustion of anode off-gas, the SOFC-C eliminates the recuperating heat exchanger usually required for cathode flows, greatly reducing the size and weight (thermal mass) of the system. The fuel cell is one of the key parts of the SOFC-C, so it is desired to understand the heat transfer in the fuel cell. In present work, a computational fluid dynamic (CFD) model was developed to reveal the gas flow and heat transfer in the fuel cell of the SOFC-C. The model includes not only convection heat transfer, but also includes the radiation heat transfer. The modeling results help to optimize the SOFC-C design.

Zhang, Mingkan↗
DOE OSTI2020

Programmable Dynamic Self-Assembly of DNA Nanostructures (Final Technical Report)

This technical report summarizes our research toward the synthesis of active biomolecular materials that take advantage of the biological properties of DNA and RNA, but can operate in non-biological contexts. Our approach takes inspiration from the dynamic assembly and disassembly of cytoskeletal filaments inside cells, and focuses on the generation of artificial filaments with comparable adaptation and responsiveness. We report the construction of DNA nanotube systems that assemble and disassemble reversibly in response to a variety of molecular stimuli including other nucleic acids (DNA and RNA), enzymes, and pH, as well as our progress on developing a reaction network framework to regulate self-assembly. Our DNA polymers are active in that they rely on the programmable energetics of hybridization and on the kinetics of enzymatic reactions to perform assembly and disassembly. Results include experiments and computational models. The research described here was performed between June 15, 2016 and June 15, 2019 at the University of California at Riverside with the support of the collaborative award DE-SC0010595 to PI Elisa Franco at UC Riverside and PI Rebecca Schulman at Johns Hopkins. The report focuses on the research performed by the team of PI Franco. The report also details work performed during a no-cost extension (June 15, 2019 - December 15, 2019) awarded to PI Guillermo Aguilar and PI Franco.

36 MATERIALS SCIENCE↗
DOE OSTI2022

First-principles free energies by hybrid thermodynamic integration for phase equilibria and fission product solubility in molten salts

The overarching goal of this research project is quantitative microscopic modeling of phase diagrams and solubility of actinides and lanthanide-fission products in molten salts for molten salt reactors. Application of molten salts as coolants and liquid fuels for next-generation reactors requires quantitative understanding of phase diagrams, equations of state and transport properties of binary and ternary molten salt mixtures, as well as solubility of fuel, fission products and reactor-wall corrosion products, but these remain beyond the reach of current first-principles computational techniques. We will address this fundamental capability gap using a novel hybrid framework for thermodynamic integration to directly predict absolute free energies of solid and molten salts at any specified conditions of composition, temperature and pressure. This framework will combine a hierarchy of first-principles, molecular dynamics and continuum techniques to deliver first-principles-level accuracy at a fraction of the computational cost of conventional ab initio molecular dynamics approaches. In particular, this technique is expected to provide first-principles accuracy, while off-loading most of the computational work on much less expensive classical molecular dynamics and continuum techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Considerations for a Medium-Voltage DC Electrolysis Testbed

Here we present the results of a study focused on the feasibility of using Medium Voltage DC (MVDC) power distribution from wind power generation to electrolyzers for hydrogen production. This approach, using hybrid energy generation in a MVDC microgrid, offers many advantages. These include possible improvements in efficiency, reliability and installation cost compared to a more typical state-of-the-art AC distribution configuration. It also eliminates the need for transformers, which have recently been subject to price volatility and availability concerns. This study highlights the practical feasibility of MVDC distribution networks for integrating various energy sources, offering improved efficiency and reduced system complexity compared to conventional AC-based solutions. Future work will focus on enhancing fault protection strategies, scaling the system to larger renewable installations, and conducting hardware implementation at the National Renewable Energy Laboratory's (NREL) Flatirons Campus (FC). In the sections that follow we show that a DC Collection and Distribution System (DC CDS) reduces the losses associated with the electrical conversion / distribution process relative to a state-of-the-art AC approach, improving overall efficiency by 5%. On the qualitative side, reducing the number of conversion stages is likely to improve reliability, reduce capital investment cost, and enable simpler control algorithms to be used, and reduced risk of instabilities and malfunctions.

08 HYDROGEN↗
NASA NTRS2011

Marshall Convergent Spray Formulation Improvement for High Temperatures

The Marshall Convergent Coating-1 (MCC-1) formulation was produced in the 1990s, and uses a standard bisphenol A epoxy resin system with a triamine accelerator. With the increasing heat rates forecast for the next generation of vehicles, higher-temperature sprayable coatings are needed. This work substitutes the low-temperature epoxy resins used in the MCC-1 coating with epoxy phenolic, epoxy novalac, or resorcinolinic resins (higher carbon content), which will produce a higher char yield upon exposure to high heat and increased glass transition temperature. High-temperature filler materials, such as granular cork and glass ecospheres, are also incorporated as part of the convergent spray process, but other sacrificial (ablative) materials are possible. In addition, the use of polyhedral oligomeric silsesquioxanes (POSS) nanoparticle hybrids will increase both reinforcement aspects and contribute to creating a tougher silacious char, which will reduce recession at higher heat rates. Use of expanding epoxy resin (lightweight MCC) systems are also useful in that they reduce system weight, have greater insulative properties, and a decrease in application times can be realized.

Scarpa, Jack↗
NASA NTRS2013

Verification of Numerical Programs: From Real Numbers to Floating Point Numbers

Numerical algorithms lie at the heart of many safety-critical aerospace systems. The complexity and hybrid nature of these systems often requires the use of interactive theorem provers to verify that these algorithms are logically correct. Usually, proofs involving numerical computations are conducted in the infinitely precise realm of the field of real numbers. However, numerical computations in these algorithms are often implemented using floating point numbers. The use of a finite representation of real numbers introduces uncertainties as to whether the properties veri ed in the theoretical setting hold in practice. This short paper describes work in progress aimed at addressing these concerns. Given a formally proven algorithm, written in the Program Verification System (PVS), the Frama-C suite of tools is used to identify sufficient conditions and verify that under such conditions the rounding errors arising in a C implementation of the algorithm do not affect its correctness. The technique is illustrated using an algorithm for detecting loss of separation among aircraft.

Goodloe, Alwyn E.↗
DOE OSTI2022

Control Oriented Model of Cabin-HVAC System in a Long-Haul Trucks for Energy Management Applications

Super Truck II is a 48V mild hybrid class 8 truck with an all auxiliary loads powered purely by the battery pack. Electric Heating Ventilation and Air Conditioning (HVAC) load is the most prominent battery load during the hotel period, when the truck driver is resting inside the sleeper. For the PACCAR Super Truck II (ST-II) project a 48 V battery system provides the required power during the hotel period. A cabin-HVAC model estimates the electric load on the 48V battery system, allowing the control system to implement an efficient energy management strategy that avoids engine idling during the hotel period. The thermal model accounts for the sun load due to the time of day and the geographic location of the truck during the hotel period. The cabin-HVAC model has two parts. First, a grey box model with two heat exchangers (Condenser and Evaporator) working in unison with refrigerant mass flow rate as an input and HVAC load as an output. Second, a two-node cabin model formulated to estimate the cabin temperature as a function of the Global Horizontal Irradiance (GHI), HVAC load and ambient temperature. The models are calibrated using experimental cabin-HVAC system data as for long-haul class 8 truck (e.g. ST-II). Here, the model simulations show that the overall Root Mean Square Error (RMSE) value of 0.4°C between the experimental and simulated cabin temperature.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗