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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Nanofabrication on unconventional substrates using transferred hard masks

Here, a major challenge in nanofabrication is to pattern unconventional substrates that cannot be processed for a variety of reasons, such as incompatibility with spin coating, electron beam lithography, optical lithography, or wet chemical steps. Here, we present a versatile nanofabrication method based on re-usable silicon membrane hard masks, patterned using standard lithography and mature silicon processing technology. These masks, transferred precisely onto targeted regions, can be in the millimetre scale. They allow for fabrication on a wide range of substrates, including rough, soft, and non-conductive materials, enabling feature linewidths down to 10 nm. Plasma etching, lift-off, and ion implantation are realized without the need for scanning electron/ion beam processing, UV exposure, or wet etching on target substrates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Dry efficient cleaning of poly-methyl-methacrylate residues from graphene with high-density H{sub 2} and H{sub 2}-N{sub 2} plasmas

Graphene is the first engineering electronic material, which is purely two-dimensional: it consists of two exposed sp{sup 2}-hybridized carbon surfaces and has no bulk. Therefore, surface effects such as contamination by adsorbed polymer residues have a critical influence on its electrical properties and can drastically hamper its widespread use in devices fabrication. These contaminants, originating from mandatory technological processes of graphene synthesis and transfer, also impact fundamental studies of the electronic and structural properties at the atomic scale. Therefore, graphene-based technology and research requires “soft” and selective surface cleaning techniques dedicated to limit or to suppress this surface contamination. Here, we show that a high-density H{sub 2} and H{sub 2}-N{sub 2} plasmas can be used to selectively remove polymeric residues from monolayer graphene without any damage on the graphene surface. The efficiency of this dry-cleaning process is evidenced unambiguously by a set of spectroscopic and microscopic methods, providing unprecedented insights on the cleaning mechanisms and highlighting the role of specific poly-methyl-methacrylate residues at the graphene interface. The plasma is shown to perform much better cleaning than solvents and has the advantage to be an industrially mature technology adapted to large area substrates. The process is transferable to other kinds of two-dimensional material and heterostructures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Building thermal dynamics modeling with deep transfer learning using a large residential smart thermostat dataset

Understanding thermal dynamics and obtaining the computational model of residential buildings enable its scaled application in energy retrofits, control optimization and decarbonization. In this paper, we present a deep learning approach to model building thermal dynamics with smart thermostat data collected from residential buildings, with the goal to investigate model generalizability. In the first stage, we developed and compared different Deep Learning architectures including Convolutional Neural Networks (CNN), Long Short-Term Memory (LSTM) models and CNN-LSTM to predict indoor air temperature in a multi-step time horizon. In the second stage, we implemented a Transfer Learning (TL) process, which aims to improve the prediction performance on a new set of buildings (targets), exploiting the knowledge of related or similar buildings (sources). Different TL strategies and source model identification methods were investigated. The study showed that the CNN-LSTM performed the best among the architectures compared, with an average Mean Absolute Error (MAE) of 0.26 °C for one-hour-ahead (twelve 5-min future steps) predictions. Furthermore, the results showed that freezing the LSTM layer and fine-tuning the other layers of the CNN-LSTM achieved the best performance among four TL strategies, which further improved the performance with respect to a machine learning approach by 10%, and proving the effectiveness and generalizability of the proposed approach. A comparison of three different source model identification methods showed that randomly selecting source models constrained by similar building characteristics can provide good TL performance while retaining simplicity comparing with other quantitative source identification methods.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Characterization of Build Parameters and Microstructure in Low Heat Input WAAM of Ni-Based Superalloy Haynes 282

Ni-based superalloy Haynes® 282® is being targeted for various applications in advanced power generation systems for its superior fabricability, weldability, and excellent high temperature creep and corrosion performance. This process optimization study aims to use a low heat-input, high deposition rate, controlled Gas Metal Arc Welding (GMAW) process, Cold Metal Transfer (CMT) by Fronius, attempting to achieve fully dense fabrication and possibly avoid the need for HIP. Twenty-one multilayer blocks (~25x100x40 mm3) were deposited to explore a large set of build parameters variations that focused on varying the travel speed from 14 to 42 inches per minute (ipm) and wire feed speed from 150 to 450 ipm. A strong correlation has been observed between arc energy – controlled primarily by travel and wire feed speed. Initial visual inspection, internal microstructural examination, and computed tomography (CT) have been used to determine the effects of built parameters on evolution of internal porosity and defects. Scanning electron microscopy techniques enabled structural and compositional imaging of heterogeneity and changes in microstructural properties.

additive manufacturing↗
DOE OSTI2015

Linking the micro and macro: L-H transition dynamics and threshold physics

The links between the microscopic dynamics and macroscopic threshold physics of the L → H transition are elucidated. Emphasis is placed on understanding the physics of power threshold scalings, and especially on understanding the minimum in the power threshold as a function of density P{sub thr} (n). By extending a numerical 1D model to evolve both electron and ion temperatures, including collisional coupling, we find that the decrease in P{sub thr} (n) along the low-density branch is due to the combination of an increase in collisional electron-to-ion energy transfer and an increase in the heating fraction coupled to the ions. Both processes strengthen the edge diamagnetic electric field needed to lock in the mean electric field shear for the L→H transition. The increase in P{sub thr} (n) along the high-density branch is due to the increase with ion collisionality of damping of turbulence-driven shear flows. Turbulence driven shear flows are needed to trigger the transition by extracting energy from the turbulence. Thus, we identify the critical transition physics components of the separatrix ion heat flux and the zonal flow excitation. The model reveals a power threshold minimum in density scans as a crossover between the threshold decrease supported by an increase in heat fraction received by ions (directly or indirectly, from electrons) and a threshold increase, supported by the rise in shear flow damping. The electron/ion heating mix emerges as important to the transition, in that it, together with electron-ion coupling, regulates the edge diamagnetic electric field shear. The importance of possible collisionless electron-ion heat transfer processes is explained.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Validation of heat transfer, thermal decomposition, and container pressurization of polyurethane foam using mean value and Latin hypercube sampling approaches

In this study, polymer foam encapsulants provide mechanical, electrical, and thermal isolation in engineered systems. It can be advantageous to surround objects of interest, such as electronics, with foams in a hermetically sealed container in order to protect them from hostile environments or from accidents such as fire. In fire environments, gas pressure from thermal decomposition of foams can cause mechanical failure of sealed systems. In this work, a detailed uncertainty quantification study of polymeric methylene diisocyanate (PMDI)-polyether-polyol based polyurethane foam is presented and compared to experimental results to assess the validity of a 3-D finite element model of the heat transfer and degradation processes. In this series of experiments, 320 kg/m 3 PMDI foam in a 0.2 L sealed steel container is heated to 1,073 K at a rate of 150 K/min. The experiment ends when the can breaches due to the buildup of pressure. The temperature at key location is monitored as well as the internal pressure of the can. Both experimental uncertainty and computational uncertainty are examined and compared. The mean value method (MV) and Latin hypercube sampling (LHS) approach are used to propagate the uncertainty through the model. The results of the both the MV method and the LHS approach show that while the model generally can predict the temperature at given locations in the system, it is less successful at predicting the pressure response. Also, these two approaches for propagating uncertainty agree with each other, the importance of each input parameter on the simulation results is also investigated, showing that for the temperature response the conductivity of the steel container and the effective conductivity of the foam, are the most important parameters. For the pressure response, the activation energy, effective conductivity, and specific heat are most important. The comparison to experiments and the identification of the drivers of uncertainty allow for targeted development of the computational model and for definition of the experiments necessary to improve accuracy.

42 ENGINEERING↗
DOE OSTI2021

Development of Quantum Interconnects (QuICs) for Next-Generation Information Technologies

Just as “classical” information technology rests on a foundation built of interconnected information-processing systems, quantum information technology (QIT) must do the same. A critical component of such systems is the “interconnect,” a device or process that allows transfer of information between disparate physical media, for example, semiconductor electronics, individual atoms, light pulses in optical fiber, or microwave fields. While interconnects have been well engineered for decades in the realm of classical information technology, quantum interconnects (QuICs) present special challenges, as they must allow the transfer of fragile quantum states between different physical parts or degrees of freedom of the system. The diversity of QIT platforms (superconducting, atomic, solid-state color center, optical, etc.) that will form a “quantum internet” poses additional challenges. As quantum systems scale to larger size, the quantum interconnect bottleneck is imminent, and is emerging as a grand challenge for QIT. For these reasons, it is the position of the community represented by participants of the NSF workshop on “Quantum Interconnects” that accelerating QuIC research is crucial for sustained development of a national quantum science and technology program. Given the diversity of QIT platforms, materials used, applications, and infrastructure required, a convergent research program including partnership between academia, industry, and national laboratories is required.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Radiation magnetohydrodynamic simulations of protostellar collapse: Low-metallicity environments

Among many physical processes involved in star formation, radiation transfer is one of the key processes because it dominantly controls the thermodynamics. Because metallicities control opacities, they are one of the important environmental parameters that affect star formation processes. In this work, I investigate protostellar collapse in solar-metallicity and low-metallicity (Z = 0.1 Z {sub ☉}) environments using three-dimensional radiation hydrodynamic and magnetohydrodynamic simulations. Because radiation cooling in high-density gas is more effective in low-metallicity environments, first cores are colder and have lower entropies. As a result, first cores are smaller, less massive, and have shorter lifetimes in low-metallicity clouds. Therefore, first cores would be less likely to be found in low-metallicity star forming clouds. This also implies that first cores tend to be more gravitationally unstable and susceptible to fragmentation. The evolution and structure of protostellar cores formed after the second collapse weakly depend on metallicities in the spherical and magnetized models, despite the large difference in the metallicities. Because this is due to the change of the heat capacity by dissociation and ionization of hydrogen, it is a general consequence of the second collapse as long as the effects of radiation cooling are not very large during the second collapse. On the other hand, the effects of different metallicities are more significant in the rotating models without magnetic fields, because they evolve slower than other models and therefore are more affected by radiation cooling.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

SAR processing based on the exact two-dimensional transfer function

The two-dimensional transfer functions of several synthetic aperture radar (SAR) focusing algorithms are derived considering the spaceborne SAR environments. The formulation includes the factors of the earth rotation and the antenna squint angles. The resultant transfer functions are explicitly expressed in terms of Doppler centroid frequency and Doppler frequency rate, which can be accurately estimated from the SAR data. Point target simulation results show that the algorithm based on the two-dimensional Fourier transformation outperforms the one-dimensional one for processing data acquired from high squint angles. The two-dimensional Fourier transformation approach appears to be a viable and simple solution for the processor design of future spaceborne SAR systems.

Chang, C. Y.↗
DOE OSTI2015

Building and testing correlations for the estimation of one‐electron reduction potentials of a diverse set of organic molecules

We describe and evaluate a method for computationally predicting reduction potentials of a diverse group of organic molecules by linearly correlating calculated lowest unoccupied molecular orbital energies with ground state reduction potentials measured in acetonitrile. The approach is shown to provide a unique combination of extreme computational simplicity and excellent accuracy across a diverse range of organic structures and a wide window of reduction potentials. A disparate set of molecules (74 compounds belonging to six distinct structural families, comprised of molecules containing C, H, N, O, F, Cl, and Br, with functional groups including esters, ketones, halides, nitriles, quinones, alkenes, arenes, heteroarenes, and pyridinium and higher benzologs, all containing conjugated pi systems, spanning a 3.5‐V range of reduction potentials) was used to build the correlations. This methodology was found to be computationally inexpensive compared with other approaches and to permit the useful prediction of reduction potentials of additional molecules of diverse structural types not included in the families used to determine the correlation parameters. The effects of varying the basis set used in the B3LYP electronic structure calculations and including solvent (compared with calculations in gas phase) were also examined. It was found that the inclusion of a continuum solvent model in the calculations was required for accurate results, particularly when including cationic species in the correlations (although when only neutral molecules were examined, reasonable results could even be obtained in vacuo ). Several of the best correlations were used to predict the reduction potentials of seven much larger and structurally diverse chromophores that were not included in the correlation data set. Strong correlations ( r 2 values > 0.99) with very good predictive abilities (root mean square deviation < 60 mV) were found. This extremely simple and computationally efficient entirely closed‐shell methodology is proven robust and useful for the design of new molecules capable of participating in redox processes, including electron transfer reactions. Copyright © 2015 John Wiley & Sons, Ltd.

Méndez‐Hernández, Dalvin D.↗
DOE OSTI2026

Process-driven roadmap for depositing super duplex stainless steel via wire Arc additive manufacturing

Here, this study systematically investigates the effects of shielding gas, bead spacing, weld mode, and travel speed on the phase balance, porosity, and hardness of wire arc additively manufactured (WAAM) super duplex stainless steel (ER2594). Robotic WAAM was employed to fabricate multilayer walls under systematically varied process conditions, followed by phase transformation simulations, X-ray computed tomography (XCT), electron backscatter diffraction (EBSD), and microhardness evaluation. Thermodynamic simulations predicted rapid cooling of AM process can suppress the potential formation of deleterious precipitates which was later validated via cross-sectional microstructure analyses of printed samples. XCT revealed porosity levels below 0.2% for all deposits, with reduced travel speed significantly lowering defect volume. Microstructural analyses revealed the evolution of various austenite precipitates, including grain boundary austenite (GBA), Widmanstätten austenite (WA), and intergranular austenite (IGA), sequentially upon cooling of the ferrite phase. Among all process parameters, weld transfer mode exhibited the strongest influence on phase balance; pulsed mode promoted higher ferrite retention (~ 36%) compared to RapidX mode. No consistent relationship between stabilized phase fraction and captured microhardness was observed. This work provides critical insights for optimizing WAAM parameters to control phase balance and mechanical performance, which is essential for producing high-integrity super duplex stainless-steel components for nuclear and marine applications.

Grain orientation↗
DOE OSTI2017

Cobalt and manganese complexes with redox-active ligands in polymerization of acrylonitrile and methyl methacrylate

The influence of bis[4,6-di-tert-butyl-N-(2,6-dimethylphenyl)-o-iminobenzosemiquinonato]cobalt(II) and 4,6-di-tert-butyl-N-(2,6-diisopropylphenyl)-o-iminobenzosemiquinonato]-[4,6-di-tert-butyl-N-(2,6-diisopropylphenyl)-o-amidophenolate]manganese(III) on polymerization of methyl methacrylate and acrylonitrile in the presence of azobisisobutyronitrile (as a traditional radical initiator) and alkyl halides (used for initiation of controlled atom transfer radical polymerization process) was studied. The effect of the nature of the activating agents (amines) and the temperature conditions on the overall polymerization rate of the indicated monomers, as well as molecular weight characteristics of the synthesized polymers, were analyzed. The optimal conditions for the synthesis of polyacrylonitrile and poly(methyl methacrylate) with a relatively narrow molecular weight distribution were selected.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Multiscale Modeling of Microstructural Evolution in Fused-Coating Additive Manufacturing

A quantitative phase field model with adaptive-computational-domain-expansion (ACDE) method was developed to simulate the microstructural evolution in fused-coating additive manufacturing process. A heat transfer and fluid flow model was established to investigate the solidification behavior of the molten pool in a single deposited layer. The solidification parameters such as temperature gradient and solidification rate were calculated from the macroscopic model and then fed into the phase field model to get the microstructure at different positions within a single deposited layer. Columnar dendrites were formed at the bottom of the deposited layer, and equiaxed dendrites appeared in the upper part of the layer. The ACDE method is used to improve the simulation efficiency. The metallographic experiments and energy-dispersive spectrometer analysis for composition were conducted on the fused-coating specimen, and the results were in good accordance with the simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Ultrasonic-assisted pyrolyzation fabrication of reduced SnO2–x /g-C3N4 heterojunctions: Enhance photoelectrochemical and photocatalytic activity under visible LED light irradiation

Novel SnO 2–x /g-C 3 N 4 heterojunction nanocomposites composed of reduced SnO 2–x nanoparticles and exfoliated g-C 3 N 4 nanosheets were prepared by a convenient one-step pyrolysis method. The structural, morphological, and optical properties of the as-prepared nanocomposites were characterized in detail, indicating that the aggregation of g-C 3 N 4 nanosheets was prevented by small, well-dispersed SnO 2–x nanoparticles. The ultraviolet–visible spectroscopy absorption bands of the nanocomposites were shifted to a longer wavelength region than those exhibited by pure SnO 2 or g-C 3 N 4 . The charge transfer and recombination processes occurring in the nanocomposites were investigated using linear scan voltammetry and electrochemical impedance spectroscopy. Under 30-W visible-light-emitting diode irradiation, the heterojunction containing 27.4 wt.% SnO 2–x exhibited the highest photocurrent density of 0.0468 mA·cm–2, which is 33.43 and 5.64 times larger than that of pure SnO 2 and g-C 3 N 4 , respectively. The photocatalytic activity of the heterojunction material was investigated by degrading rhodamine B under irradiation from the same light source. Kinetic study revealed a promising degradation rate constant of 0.0226 min-1 for the heterojunction containing 27.4 wt.% SnO 2–x , which is 32.28 and 5.79 times higher than that of pure SnO 2 and g-C 3 N 4 , respectively. The enhanced photoelectrochemical and photocatalytic performances of the nanocomposite may be due to its appropriate SnO 2–x content and the compact structure of the junction between the SnO 2–x nanoparticles and the g-C 3 N 4 nanosheets, which inhibits the recombination of photogenerated electrons and holes.

Li, Kai↗
DOE OSTI2024

Effective direct steam regeneration of bis-iminoguanidine solid sorbent used for carbon dioxide capture

A cost-effective, energy-efficient sorbent regeneration process for phase-changing guanidines used for CO 2 capture was developed based on direct-steam stripping. This approach enhances the regeneration rate, simplifies the overall CO 2 capture process, and reduces the energy cost compared to conventional conductive thermal regeneration. A direct-steam sorbent regeneration reactor was developed, demonstrating that aqueous bis(iminoguanidines) (BIG) sorbents, e.g., methylglyoxal-bis(iminoguanidine) (MGBIG) and glyoxal-bis(iminoguanidine) (GBIG), could be efficiently regenerated with up to ~ 99 % CO 2 recovery through direct-steam stripping. Using low-temperature steam at 100 °C, a 4.5 times faster regeneration rate for GBIG carbonate sorbent (e.g., 30 min for 10 g) was demonstrated compared to conductive-heating (e.g., 135 min for 10 g) at 130 °C. Additionally, fully regenerated MGBIG converts into an aqueous MGBIG solution when the steam condenses onto the sorbent surface. Condensed steam with the guanidine can be easily recycled as an aqueous solution into the gas–liquid contactor to achieve a continuous-flow CO 2 -capture process. Molecular dynamics simulation was employed to provide a better understanding of the process. Higher heat transfer rates from steam to guanidine carbonate, compared to air heating, were attributed to the vibration resonance of water molecules within MGBIG with that of vapor molecules and the effective transfer of kinetic energy from vapor to solid. Technoeconomic analysis demonstrated that direct-steam stripping significantly decreases the CO 2 capture cost by 50 % compared to traditional conductive heating methods. Further, enhanced mass transfer facilitated by low-temperature steam and subsequent condensation effectively heats up the H 2 O-containing BIG-carbonate crystals, facilitating the desorption of CO 2 from the solid crystals, thereby leading to fast, effective, and energy-efficient sorbent regeneration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Impact of dissolved salts on two-phase flow and boiling heat transfer in a natural circulation loop

Two-phase natural circulation and boiling experiments are conducted in this study with artificial seawater as a heat transfer fluid or process coolant. This experimental work is focused on understanding the role of dissolved salts in water on the steady state two-phase natural circulation flow rates. Mass flow rates were measured at different heat flux levels with artificial seawater, deionized water and tap water in the experimental loop. It was found that the average quasi-steady state mass flow rates were the same at any particular heat flux level regardless of the fluid being used. Artificial seawater coolant exhibited more stable natural circulation at higher heat flux as compared to the other two coolants. Mass flow measurements recorded at 2 s intervals show that magnitude of flow oscillations are much higher in case of tap water and deionized water. Also, high speed camera images revealed that the bubble departure diameters are smaller in seawater compared to tap or deionized water. This can be attributed to the increased local wettability due to the presence of dissolved salts in the fluid. Visual observations of the riser section showed that bubble coalescence and formation of slugs is inhibited in the seawater. These observations also explain the reduced pressure drop across test section when seawater was used as a coolant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Universal correlation for falling film evaporation on a horizontal plain tube

Falling film evaporators are widely used in many industrial sectors, such as desalination, refrigeration & air-conditioning, and chemical processes. The heat transfer correlations suitable for wider operating conditions and various refrigerants are useful for designing falling film evaporators. Although many researchers developed the correlation for their own experimental data, there is a limited universal correlation for falling film evaporators. In addition, the dry-out effects were not considered in the available universal correlations. Here, therefore, this study proposes a new correlation for falling film evaporation on a single horizontal plain tube, which includes nucleate boiling, film evaporation, and dry-out effects. The proposed correlation covers a wider range of operating conditions (Heat flux is of 2.5–168kWm -2 , and film Reynolds number is up to 3500), various refrigerants (R134a, R245fa, R1234ze(E), R123, R32, R410A, R290, and R600a), and the large number of experimental data (1101 data in total). The proposed correlation is validated against the available standard correlation with regard to mean absolute deviation (MAD) and R 2 values. The MAD of the new correlation is about 10%, respectively, which is the lowest among other correlations. Similarly, the R 2 showed a value of 0.92, which is the highest compared to the existing correlations. A simplified correlation is also proposed.

42 ENGINEERING↗