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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Next Generation Fiber-Encapsulated Nanoscale Hybrid Materials for Direct Air Capture with Selective Water Rejection

Recently, NOHMs sorbents have been demonstrated to be highly stable and tunable for CO2 capture and have negligible vapor pressure, but their main drawbacks are high viscosity and high gas transfer limitation in their neat bulk phase. This project explored gas-assisted electrospinning processing coupled with promising encapsulation matrices such as Polymers with Intrinsic Microporosity (PIM-1) and polyacrylonitrile (PAN)/organopolysilizane (OPSZ) polymer/ceramic hybrid materials, which were demonstrated to be effective novel carriers for the active NOHMs sorbents. These encapsulation materials were evaluated by their thermal stability, hydrophobicity, permeability, and CO2 selectivity. The manufacturing parameters such as component composition and processing solvent were linked to bulk sorbent properties, e.g., surface area, pore volume, fiber thickness, capture capacity, capture kinetics, etc. These investigations resulted in fundamental knowledge and technical know-how that will be useful for scaling up the nanofiber mat contactor design. The encapsulation materials and design has been shown to not only increase the thermal oxidative stability of the NOHMs, but also yield significantly reduced pressure drop and increased performance of large modular air filters. 70 PAN: 30 OPSZ/NIPEI fibers exhibited the highest capture performance with 1.5 mmol CO2/g∙h kinetics the first hour under 100% CO2 condition, followed by 80 PAN: 20 OPSZ/NIPEI and 90 PAN: 10 OPSZ/NIPEI, while 90 PAN: 10 OPSZ/NIPEI fibers performed the best with 0.25 mmol CO2/g∙h of the initial kinetics under 400 ppm CO2 concentration. All the fabricated fibers demonstrated stable capture performances up to 15 cycles of adsorption and desorption. Using encapsulated NOHMs, the study found that the microwave could help regenerate the capture materials within 20 minutes without chemically degrading the materials. A high-level TEA/LCA study was performed to evaluate the feasibility of this technology at scale. These estimates show that the sorbent cost and environmental impact levels are comparable to other existing technologies. Overall, these findings increase the technological feasibility of using liquid-like, low vapor pressure NOHMs as a next generation sorbent for the direct air capture of CO2.

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

Ultra-High Operation Temperature SiC-matrix Solar Thermal Air Receiver (HOTSSTAR) enabled by additive manufacturing: Test Facility & Performance Evaluations

Solar Heat for Industrial Processes (SHIP) cavity receivers are capable of generating electricity or industrial process heat by absorbing thermal energy from solar radiation, focused on a small area. The concentration of solar radiation on the small area of the receiver enables the achievement of high temperatures (ranging from 400°C to 1,100°C) of a working fluid, thus making the SHIP technology thermodynamically comparable with conventional power plants. A volumetric receiver consists of a porous structure-generally made of silicon carbide or metal, which absorbs solar radiation and converts it into heat energy. Heat energy from the porous materials is then transferred to the fluid following through them. A volumetric receiver acts as a convective heat exchanger, transferring heat to the fluid through convection. Open-loop volumetric receivers work with air at atmospheric pressure and are suitable for single-cycle or multi-cycle energy plants. A Model Based Systems Engineering (MBSE) approach was used to develop a test bed at Sandia national Laboratories (SNL) capable of demonstrating an open-loop volumetric air receiver developed by General Electric Aerospace (GE Aerospace). This paper presents the development of the various MBSE methods, test bed, and testing operations for the GE air receiver, which was experimentally demonstrated to achieve 1,350°C for over 3 hours of operation and an approximate 70% receiver efficiency. By being able to achieve such high temperatures >1,000°C, this work provides the potential to support many SHIP industrial use cases.

14 SOLAR ENERGY↗
DOE OSTI2024

Thermal-hydraulic Performance of Emerging Low GWP Refrigerant Mixture under Flow Boiling in Brazed Plate Heat Exchangers

The hydrofluorocarbon (HFC) refrigerants used in the current refrigeration systems are facing a phase-down due to their higher greenhouse effect resulting in global warming, and thus HVAC&R industry has undergone a transition to low Global Warming Potential (GWP) refrigerants. Refrigerant mixtures are attractive alternatives since their composition can be tailored to comply with environmental regulations while preserving favorable thermophysical properties. However, the new low-GWP zeotropic mixture refrigerants have two or more components with different saturation temperatures at the same pressure level, known as temperature glide, which can cause the degradation of the overall heat transfer performance. The brazed plate heat exchangers (BPHX) provide excellent heat transfer performance due to a compact design and are used in several air-conditioning and refrigeration applications. In this study, flow boiling heat transfer and the associated pressure drop of the refrigerant mixture in a vertical BPHX were experimentally investigated. The single-phase water-to-water experiments were conducted in the tested heat exchanger with a counter-flow configuration. The flow boiling experiments charged with R-134a and R-454C were then performed in a pumped refrigerant loop to evaluate its thermal-hydraulic performance. Furthermore, parametric studies of various heat fluxes, mass fluxes, vapor qualities, and saturation temperatures were also conducted.

Yang, Cheng-Min↗
DOE OSTI2024

Description of FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment

The urgency to deliver fusion power is growing now more than ever, with increasing pressure for both public programs and private companies to meet milestones timelines and overcome significant remaining technical challenges to ensure growth of a nascent fusion industry in time to meet rapidly growing clean energy demands. With incredible advancements in computation and years of investment in fusion model development and validation, integrated modeling is poised to fill a key role in accelerating the timeline to a fusion pilot plant (FPP). Future fusion pilot plants will operate in regimes far beyond current experience, and device design will rely on physics-based prediction and extrapolation. Many concepts will also rely on simulation to assess safety (shielding, tritium management, materials activation and lifetimes), economics and scalability before the decision to build. Importantly, integrated simulation can be used to reveal and solve the complexities of system integration that may otherwise not be apparent in physical components or models developed in isolation. New experimental test facilities that produce relevant conditions to validate and resolve key technical challenges for various subsystems (materials, blankets, fuel cycle, etc.) have been repeatedly called for by the fusion community but are not yet realized. Integrated modeling has an important role in identifying realistic load conditions (thermal, electromagnetic, plasma, neutron and photon loads, etc.) and defining the components and experiments for these test facilities in order to ensure meaningful validation that sufficiently reduces modeling uncertainties and technical risk for the full integrated reactor. The Fusion REactor Design and Assessment (FREDA) SciDAC project is building a component-based integrated modeling framework & data structure to enable self-consistent, multi-fidelity, iterative optimization workflows for the fusion reactor design process. FREDA aims to shorten the time to viable designs by providing a set of flexible workflows to support the various stages of the design process using an integrated model hierarchy, ranging from the simple analytic descriptions to the highest fidelity, theory-based plasma and engineering modeling developed by the fusion and fission communities. These tools are expected to be needed for timely support of FPP design in the milestone program and in the FIRE collaboratives. The plasma simulation backbone of FREDA is IPS-FASTRAN with newly developed coupled Core-Edge Pedestal-SOL (CESOL) workflows, which is being extended to the far-SOL region up to the plasma facing components. FREDA incorporates the FERMI engineering modeling suite and will enable self-consistent evaluation of the thermal shields, limiters, blanket, magnets, and other surrounding structures with predictions of temperatures, erosion, dpa, activation, tritium generation and transport, creep, corrosion, material degradation, etc. Parametric generation of 3D CAD enables rapid iteration of component geometry in response to plasma and loading specifications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Reduced-Order Modeling Method for Phase-Change Thermal Energy Storage Heat Exchangers

Thermal energy storage can facilitate the effective utilization of renewable energy. To speed up the design process of thermal energy storage devices, it is critical to develop fast and accurate modeling methods for phase change material embedded heat exchangers (PCM HXs). This study developed and compared two approximation-assisted reduced-order PCM HX models for the simulation of thermal storage components and systems, which were verified against a validated finite-volume model. They are a pure black-box model, and a grey-box model based on the Number of Transfer Units (or effectiveness-NTU) approach. We used the reduced-order models to predict the performance of standalone PCM HX for 1000 cases with different fluid inlet conditions and HX designs. We also integrated the models with a vapor compression system to predict the compressor energy consumption and total charging time under various conditions. The results show that overall, the black-box model gave more accurate results than the grey-box model. On average, the mean absolute deviation in the PCM HX fluid outlet temperature was 0.05 K and 0.1 K for the black-box model and grey-box model, respectively. The grey-box model gave larger temperature deviation toward the end of the phase change process, due to the simplified two-node PCM representation. On the system level, the mean absolute deviation in compressor energy consumption was 0.2% and 0.3% for the black-box model and grey-box model, respectively. Their mean absolute deviation in total charging time was 1.1% and 2.6%, respectively. In terms of computation efficiency, the system simulation speedup ratio gained by using the reduced-order models was 11 to 57. System simulation time was decreased from an average of 1465 s to an average of 59 s. This shows that the proposed reduced-order modeling methods can be used to predict system performance of PCM HXs with less than 3% accuracy penalty, and 25 times less computational time than finite-volume models, enabling faster design and evaluation of PCM thermal storage devices.

25 ENERGY STORAGE↗
DOE OSTI2023

Solidification modes during additive manufacturing of steel revealed by high-speed X-ray diffraction

Solidification during fusion-based additive manufacturing (AM) is characterized by high solidification velocities and large thermal gradients, two factors that control the solidification mode of metals and alloys. Using two synchrotron-based, in situ setups, we perform high-speed X-ray diffraction measurements to investigate the impact of the solidification velocities and thermal gradients on the solidification mode of a hot-work tool steel over a wide range of thermal conditions of relevance to AM of metals. The solidification mode of primary δ-ferrite is observed at a cooling rate of 2.12x10 4 K/s, and at a higher cooling rate of 1.5x10 6 K/s, δ-ferrite is sup-pressed, and primary austenite is observed. The experimental thermal conditions are evaluated and linked to a Kurz-Giovanola-Trivedi (KGT) based solidification model. The modelling results show that the predictions from the multicomponent KGT model agree with the experimental observations. This work highlights the role of in situ XRD measurements for a fundamental understanding of the microstructure evolution during AM and for vali-dation of computational thermodynamics and kinetics models, facilitating parameter and alloy development for AM processes.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Elucidating key reducing species beyond ions in hydrogen plasma smelting reduction of iron ore

Hydrogen plasma smelting reduction (HPSR) of iron ore has attracted significant attention over the past decade due to its high-temperature operation, rapid plasma mediated reduction kinetics, and simpler density-based separation of molten iron product, compared to H2-based solid-state reduction. All of these attributes enable processing of low-grade ores for downstream use in electric-arc furnaces, as virgin iron with low gangue content is required for high quality steel and improved furnace operation. While positive ions exist within the plasma arc, this work demonstrates that near the anodic ore surface, hydrogen radicals and vibrationally excited hydrogen species dominate and their densities correlate well with observed reduction rates. Species concentrations in the transferred plasma arc and at the plasma-ore interface are evaluated using coupled thermal plasma and near-wall non-equilibrium plasma models. The thermal plasma model is validated against experimental voltage data and spectroscopic measurements of plasma temperature and density for varying current inputs. Modeling of the near surface thermochemical non-equilibrium and micrometer scale anode sheath layer reveals, in addition to the expected H + , significant concentrations of ArH + and H$^+_3$ ions, typically not observed in thermal plasmas under thermodynamic equilibrium. Our results show that the inverted sheath structure at the anodic ore surface strongly suppresses reactive positive ion fluxes, while non-equilibrium electron-impact processes generate abundant hydrogen radicals and vibrationally excited species. These findings highlight the critical role of non-equilibrium effects in hydrogen arc-driven iron ore reduction and advance understanding beyond prevailing hypotheses centered on hydrogen ion-driven mechanisms.

08 HYDROGEN↗
DOE OSTI2024

Effect of plasma treatment on LMPAEK/CF tape and composites manufactured by automated tape placement (ATP)

Automated tape placement (ATP) process is widely used in aerospace for its advanced process control and multi-axis capabilities but faces issues like limited choice of materials and suboptimal tape consolidation. This study investigates air plasma treatment on ATP carbon fiber thermoplastic feedstock tape to address these challenges. The effects on low melt Polyaryletherketone/carbon fiber unidirectional tape (LMPAEK/CF UD tape) were analyzed. Treated and untreated tapes were used to fabricate composites and evaluated for physical, thermal, mechanical, and interfacial properties. Atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared (FTIR) analyses revealed surface roughness changes (on LMPAEK), extent of oxidation, and the presence of hydroxyl/carboxyl groups. Composites from plasma-treated tapes showed a 7.6% increase in tensile strength, 8% in tensile modulus, 18% in flexural strength, and 8.3% in flexural modulus. Further, the interlaminar shear strength improved by 18.7%. Failure analysis showed untreated composites failed via inter-ply and fiber-matrix delamination, while treated composites experienced matrix cracking and fiber breakage. This study highlights atmospheric plasma treatment as a solution to ATP’s limitations, significantly enhancing LMPAEK/CF UD tape composites’ properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

PERC silicon PV infrared to ultraviolet optical model

Here, optical modeling of aluminum back surface field (Al-BSF) and passivated emitter and rear contact (PERC) silicon wafer solar cells are extended into the infrared wavelength range (300–2500 nm). The model incorporates ray tracing to account for pyramidal texture of the front silicon surface, free carrier absorption in the front emitter; bulk silicon wafer, BSF; and Lambertian scattering at the silicon back contact. Total reflectance of pyramidal textured cells with different contact geometries with and without encapsulation are simulated. Simulated reflectance and short circuit current density match well with experimental values. These physics-based optical models serve as input for evaluating optical and thermal management strategies for silicon wafer solar cells.

14 SOLAR ENERGY↗
DOE OSTI2020

Improved Single-Ion Conductivity of Polymer Electrolyte via Accelerated Segmental Dynamics

Single-ion conducting polymer electrolytes (SICPEs) have many advantages for solid-state battery applications, while low conductivities remain the bottleneck for their practical applications. In this paper, a strategy that can significantly improve the ionic conductivity of SICPEs based on the concept of accelerated segmental dynamics was demonstrated by the evaluation of the thermal property, rheological behavior, morphology analysis, molecular dynamics simulation, and conductivity performance. With both “soft” poly(dimethylsiloxane) (PDMS) backbone and poly(ethylene glycol) (PEG) side chains, the obtained SICPE possesses faster segmental relaxation and higher lithium-ion conductivity. With lithium “transference” number close to unity, the obtained SICPE also shows excellent electrochemical stability against lithium metal electrodes. The clear relationship established between the segmental dynamics of polymer electrolyte and its ionic conductivity should contribute to achieve a solid electrolyte with improved ionic conductivity toward the next-generation solid-state battery.

Segmental Dynamics↗
DOE OSTI2024

Tailoring High Hardness and Rigidity in Biodegradable Thermoplastic Polyurethanes

In response to escalating environmental concerns, there is a pressing demand for materials capable of delivering both sustainability and robust mechanical properties, thereby substituting nonrenewable counterparts in various applications. This study presents a comprehensive investigation into the synthesis and characterization of biobased aliphatic thermoplastic polyurethanes (TPUs) that exhibit impressive mechanical properties, including tensile strength in the range of 48–41 MPa and flexural modulus up to 2.2 GPa. These biodegradable TPUs displayed high shore A and D hardness between 95 and 98 and 51–42, respectively, and thus can be categorized as “extra hard” plastics according to the durometer scale for PUs. Herein, we have prepared a series of four 100% biobased polyester polyols from biobased diacid and chain-extender as precursors with molecular weights varying from 500 to 1400 g/mol. The corresponding TPUs that were prepared by using an aliphatic diisocyanate were evaluated for their thermal stability, microphase separation, mechanical properties, and biodegradation. By leveraging renewable feedstocks, these TPUs offer a sustainable alternative to petroleum-derived materials, with their mechanical performance meeting conventional benchmarks. Furthermore, postcomposting analysis revealed significant surface degradation, affirming their biodegradability and environmental compatibility.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Airfoil leading edge blowing to control bow shock waves

Abstract This manuscript presents a detailed characterization of active control of bow shock waves via leading edge injection, including subsonic coolant ejection and the appearance of Coanda effects. The flow phenomena occurring at steady and pulsating flow injection regimes were analyzed using steady and unsteady two-dimensional Reynolds-Averaged Navier Stokes, leading to a precise evaluation of the thermal load and drag reductions. Steady supersonic injection yields the largest abatement in thermal load and aerodynamic drag, while subsonic or fluctuating ones can also provide significant improvements at reduced cooling mass flow rates. Furthermore, a Coanda effect, causing a non-symmetric flow topology, was observed and analyzed for reduced injection port size. This Coanda effect is due to the sudden expansion happening from the injection port to the main flow and it causes the flow topology at the leading edge to become non-symmetric despite the complete symmetry of the problem. This is the first time in the literature such a phenomenon is documented for a supersonic airfoil leading edge injection. Furthermore, it enables the design of novel flow control strategies for the leading edge shock topology and flow structures in supersonic flows.

42 ENGINEERING↗
DOE OSTI2020

27 AlNMR chemical shift of Al(OH)$^{-}_{4}$ calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems

Predicting accurate nuclear magnetic resonance chemical shieldings relies upon cancellation of different types of errors between the theoretically calculated shielding constant of the analyte of interest and the reference. Often, the intrinsic error in computed shieldings due to basis sets, approximations in the Hamiltonian, description of the wave function, and dynamic effects is nearly identical between the analyte and reference, yet if the electronic structure or sensitivity to local environment differs dramatically, this cannot be taken for granted. Detailed prior work has examined the octahedral trivalent cation Al(H 2 O)$^{3+}_{6}$, accounting for ab initio intrinsic errors. However, the use of this species as a reference for the chemically distinct tetrahedral anion Al(OH)$^{-}_{4}$ requires an understanding of how these errors cancel, in order to define the limits of accurately predicting 27 Al chemical shielding in Al(OH)$^{-}_{4}$. In this work, we estimate the absolute shielding of the 27 Al nucleus in Al(OH)$^{-}_{4}$ at the coupled cluster level (515.1± 5.3 ppm). Shielding sensitivity to the choice of method approximation and atomic basis sets used has been evaluated. Solvent and thermal effects are assessed through ensemble averaging techniques using ab-initio molecular dynamics. The contribution of each type of intrinsic error is assessed for the Al(H 2 O)$^{3+}_{6}$ and Al(OH)$^{-}_{4}$ ions, revealing significant differences that fundamentally hamper the ability to accurately calculate the 27 Al chemical shift of Al(OH)$^{-}_{4}$ from first principles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A TOpographic Mapping (ATOM) Method to Design Magnetic Cores

Wireless power transfer offers safe, convenient, and efficient way of charging electric vehicles. Ongoing research is targeting wireless charging pad design optimization; designing the magnetic component is the most important part of the coupler design because the magnetic part determines the coupling factor and efficiency. Optimizing the coil layout and geometry as well as ferrite design requires finite elements analysis based modeling and simulation for minimized core losses, maximized magnetic coupling, and minimized material use for cost-effectiveness. Although parametric finite element analysis or emerging artificial intelligence methods can generate very accurate results, simulation times are extremely long. To address this issue, this study proposes a simple, effective core design called A TOpographic Mapping (ATOM). The proposed design is based on the design of magnetic core by using the magnetic flux distribution. The thickness of the core increases with increasing magnetic flux density, forming a variable thickness core design with less material and minimized core losses compared to conventional designs. A superimposing method is used to create an optimal design for a rotational magnetic field-based system. According to simulation results, the ATOM design reduces the required material volume by 13.19% and yields the lowest core loss and highest mutual inductance compared to other designs. In addition, misalignment, electromagnetic interference, and thermal performance were evaluated for the proposed design.

Aydin, Emrullah [Oak Ridge National Laboratory (OR↗
DOE OSTI2022

Thermal Neutron Scattering Research at ORNL – ENDF File Validation [Slides]

ENDF File Validation is a process developed to simulate VISION experiments. This method showed significant differences in inelastic spectra compared to experimental measurements. Differential data should be incorporated into thermal neutron scattering evaluation process to ensure accurate TSL files. The Polyethylene Discrepancy Issue has been found and corrected. The resulting ENDF manual change has been submitted and is currently under review.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Cellular Shade Energy Savings in a Commercial Setting

Windows cause approximately 1.7 quad of heating and cooling energy consumption in the United States. This energy consumption can be reduced by using high-efficiency window attachments. Common Venetian blinds and planar shades, such as roller shades, might block solar radiation, but they do not provide a significant improvement to window system thermal transmittance. Cellular shades have better thermal performance compared to other shading devices because of the honeycomb structure that traps air in pockets to create thermal insulation. However, evaluating the energy savings potential of cellular shades using experimental testing in commercial settings is limited. Moreover, the effect of cellular shades on daylighting and glare is yet to be evaluated using field testing. In this study, experimental testing of cellular shades was performed in a real building with emulated occupancy for both a cooling and a heating season. Compared with a room without shades, the use of cellular shades in experimental testing showed incremental energy savings of 4.6% to 9.4% for cooling and higher than 20% for heating. The experimental data were used to calibrate the baseline energy model and validate the cellular shades model. Annual simulation of cellular shades was performed for a medium office prototype building using the validated cellular shades model. The annual simulation was performed in Phoenix, Nashville, and Rochester. The annual savings for HVAC energy was 25% for Phoenix, 27% for Nashville, and 19% for Rochester.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗