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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

CH 4 steam reforming on Pt + Pd/Al 2 O 3 monolith: impact of Mn 0.5 Fe 2.5 O 4 spinel addition

The performance of Pt + Pd/Al 2 O 3 monolith catalysts was analyzed under a feed (H 2 + CO + CH 4 + NO + O 2 + H 2 O + CO 2 ) simulating the exhaust gas of stoichiometric natural gas vehicles (NGVs). The flow reactor results show enhanced low temperature (<400 °C) CH 4 oxidation activity under cyclic lean/rich feed modulation and with Mn 0.5 Fe 2.5 O 4 (MFO) spinel addition to the platinum group metal (PGM) catalyst. In the absence of the MFO spinel, the PGM catalyst can achieve full CH 4 conversion, but the presence of spinel in the catalyst limits the high temperature (>500 °C) CH 4 conversion. The depletion of gas phase O 2 , as indicated by the detection of products CO and H 2 in the reactor effluent at higher temperature and CH 4 conversion, portends the emergence of steam reforming of CH 4 (SRM). To investigate the cause of the detrimental impact of spinel under the high temperature, net rich regime, we show through a combination of SRM experiments and post-reaction catalyst characterization that SRM is negatively impacted by the accumulation of Mn and Fe spinel species on the PGM catalyst. This is due to the migration of the base metal species and potential encapsulation and blockage of PGM active sites. The latter is supported by density functional theory (DFT) calculations that indicate favorable metal oxide decoration of active Pt step sites. Lastly, a zoned catalyst design is developed that mitigates the detrimental metals migration while exploiting the methane conversion enhancement afforded by spinel oxides under oxygen rich conditions.

03 NATURAL GAS↗
DOE OSTI2020

Light and Elevated Temperature Induced Degradation (LeTID) in a Utility-Scale Photovoltaic System

Here, we present a detailed case study of degradation in monocrystalline silicon photovoltaic modules operating in a utility-scale power plant over the course of approximately three years. We present the results of degradation analysis on arrays within the site, and find that five of the six arrays degraded faster than the best performing array, even though the arrays consist of modules of the same manufacturer and model. We also describe the results of extensive laboratory characterization of modules returned from the field, including module- and cell-level current–voltage characterization, luminescence imaging, and accelerated testing. The laboratory test results and the field performance are consistent with light and elevated temperature induced degradation (LeTID). Notably, we observe differences in back contact technology between affected and unaffected modules. This article also demonstrates a method to identify possible LeTID degradation in the field and confirm the result with laboratory testing of a small number of modules.

14 SOLAR ENERGY↗
DOE OSTI2021

Aerodynamic effects on outer ash deposition rates in second generation atmospheric pressure oxy-coal combustion systems

Recent measurements in scenarios representative of second generation atmospheric pressure oxy-coal combustion systems have shown a significant increase in ash deposition rates in comparison to combustion in air. However, the causative mechanisms behind this increase have not been well understood. To fill this void, well-characterized experiments including fuel and deposit particle size distributions (PSDs) were coupled with highly resolved numerical simulations to isolate the aerodynamic effects impacting the deposition process such that mechanisms could be hypothesized. Three combustion scenarios (AIR, OXY27, OXY70) spanning a factor of three variation in flue gas volumetric flow rates were simulated and the deposition characteristics (impaction rates, deposit PSD, temperature, residence times, capture rates) tracked/predicted using a customized deposition module. The measured deposit PSD was significantly different from the PSD of the parent fuel indicating significant physio-chemical transformations (coalescence and particle growth in particular) at play. The use of simplistic modeling approaches (swelling parameter variations) to model particle growth led to inaccurate deposit ash PSD and rate predictions. A more satisfactory agreement between the measurements and simulations was obtained when the functional form of the parent fuel PSD (spread parameter) was modified to conform closely to the deposit PSD while still ensuring the fidelity of temperature and velocity predictions. Based on the measured ash compositions, identical capture criteria were employed across all three scenarios. Here this study further supports the theory that the ash deposition rates in these systems are dominated by aerodynamic effects with the ash PSD playing a dominant role.

42 ENGINEERING↗
DOE OSTI2021

CO and H 2 adsorption on Au-Ni bimetallic surfaces: a combined experimental and DFT theoretical study

Au-Ni bimetallic thin films were grown on refractory metal substrates. CO and H 2 adsorption on Au-Ni bimetallic surfaces have been studied by a combination of in situ polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS), temperature-programmed desorption (TPD), and density functional theory (DFT) calculations. It is found CO desorption peak shifts from 413 K on pure Ni surfaces to 293 K on the isolated Ni atoms formed by alloying with Au atoms. The sharp decrease of CO desorption temperature on Au-Ni surfaces with increasing Au coverage is caused by the change of the favored CO adsorption sites from bridge/hollow sites on pure Ni surfaces to Ni top sites on Au-Ni bimetallic surfaces. In situ PM-IRRAS shows two CO adsorption bands on Au sites at 2119 cm −1 and 2103 cm −1 on Au-Ni surfaces at 80 K, which are due to CO bound on under-coordinated Au atoms and electron negatively charged Au sites modified with nearby Ni atoms, respectively. Even with the Au-Ni surface temperature at as low as 100 K, CO adsorption induced Ni surface segregation has been observed by in situ PM-IRRAS. Furthermore, DFT calculation results discover the adsorption energy of CO on Ni top sites continues to decrease with increasing Au coverage due to the geometric ensemble effect and the lowered d-band center after Ni alloying with Au. H 2 desorption temperature decreases from 363 K on pure Ni thin films to 302 K with increasing Au coverage to 0.6 ML. A new H 2 peak appears at around 170 K on the Au-Ni surfaces with Au coverages between 0.6 ML and 0.9 ML. This new H 2 TPD peak is assigned to H 2 desorption from the totally isolated Ni sites. With Au coverage above 1.5 ML, there is no any H 2 desorption detected. Finally, the combined surface science studies and DFT calculations provide new insights into the surface structure-activity correlation of Ni-base bimetallic surface alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Sensitivity of Atmospheric River Vapor Transport and Precipitation to Uniform Sea Surface Temperature Increases

Abstract Filaments of intense vapor transport called atmospheric rivers (ARs) are responsible for the majority of poleward vapor transport in the midlatitudes. Despite their importance to the hydrologic cycle, there remain many unanswered questions about changes to ARs in a warming climate. In this study we perform a series of escalating uniform SST increases (+2, +4, and +6K, respectively) in the Community Atmosphere Model version 5 in an aquaplanet configuration to evaluate the thermodynamic and dynamical response of AR vapor content, transport, and precipitation to warming SSTs. We find that AR column integrated water vapor (IWV) is especially sensitive to SST and increases by 6.3–9.7% per degree warming despite decreasing relative humidity through much of the column. Further analysis provides a more nuanced view of AR IWV changes: Since SST warming is modest compared to that in the midtroposphere, computing fractional changes in IWV with respect to SST results in finding spuriously large increases. Meanwhile, results here show that AR IWV transport increases relatively uniformly with temperature and at consistently lower rates than IWV, as modulated by systematically decreasing low‐level wind speeds. Similarly, changes in AR precipitation are related to a compensatory relationship between enhanced near‐surface moisture and damped vertical motions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Uncovering supramolecular chirality codes for the design of tunable biomaterials

In neurodegenerative diseases, polymorphism and supramolecular assembly of β-sheet amyloids are implicated in many different etiologies and may adopt either a left- or right-handed supramolecular chirality. Yet, the underlying principles of how sequence regulates supramolecular chirality remains unknown. Here, we characterize the sequence specificity of the central core of amyloid-β 42 and design derivatives which enable chirality inversion at biologically relevant temperatures. We further find that C-terminal modifications can tune the energy barrier of a left-to-right chiral inversion. Leveraging this design principle, we demonstrate how temperature-triggered chiral inversion of peptides hosting therapeutic payloads modulates the dosed release of an anticancer drug. These results suggest a generalizable approach for fine-tuning supramolecular chirality that can be applied in developing treatments to regulate amyloid morphology in neurodegeneration as well as in other disease states.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Slippery liquid infused porous surface (SLIPS) condensers for high efficiency air gap membrane distillation

Abstract To address growing water scarcity, we must improve the energy efficiency of thermal desalination technologies such as air gap membrane distillation. However, promising functional materials such as slippery liquid infused porous surfaces have not yet implemented for any desalination technology. Here, we fabricate and test slippery liquid infused porous surfaces (using Krytox 16,256 lubricant and CuO nanostructures) in an air gap membrane distillation apparatus. System-level transport models, validated by experimental data, establish a framework for improving performance through enhanced condensation surfaces. Results are obtained across a range of temperatures (50–80 °C), salinities (5–105 g/kg), and module lengths. We find that small air gap thickness and efficient droplet shedding significantly improves performance. The CuO Krytox process achieves these with a conductive-self-limiting coating, high nanostructure rugosity, strong covalent and metallic bonding, high hydrophobicity, minimal droplet pinning sites, and ultra-low contact angle hysteresis. The greatest efficiency enhancement from SLIPS is derived from the improved droplet shedding, which allows for reduced gap sizes without flooding, and is further augmented by the increased permeate flux.

Yogi, Yashwant S.↗
DOE OSTI2021

Continuous-wave planar laser induced fluorescence with a fast camera

We present planar, laser induced fluorescence (PLIF) measurements of the velocity-resolved distribution function of ions in a plasma using a modulated, narrow linewidth, continuous-wave laser. Plasma emission is acquired with a high frame rate camera, and the laser light is spread into a thin sheet so that an entire plane of the plasma is imaged at each interrogation wavelength. Fourier analysis is conducted on each pixel of the images to separate the modulated fluorescent emission from the background light. Argon ion temperatures and bulk flow maps are reported in a helicon plasma source, and standard single-point LIF measurements provide validation of the PLIF measurement.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Long-term impact of light- and elevated temperature-induced degradation on photovoltaic arrays

Low levelized cost of electricity (LCOE) has been identified as critical for widespread adoption of photovoltaics (PV) without subsidies. Maintaining decades-long high-energy production is often an under-recognized opportunity in meeting cost goals because component lifetimes are not fully quantified at the time of manufacture. Whereas certain standardized tests minimize risk of early failure, there is little guidance to quantitatively predict degradation (or lack thereof) over decades, based on accelerated tests. In this article, we move toward bridging the understanding between indoor accelerated tests and outdoor performance data, with the goal of predicting energy yield with enough accuracy to inform financial decisions. Light- and elevated temperature-induced degradation (LETID) in p-type Si modules is analyzed in terms of impact on long-term module performance and thus LCOE. A method to predict the progression of LETID, using fixed kinetic constants and a numerical solution to the basic reaction rate equations, is detailed. Predictions are compared against both published data and that new to this study. These data include both indoor accelerated tests and fielded modules. We use the results in financial models to derive LCOE of modules in different climates with varying amounts of LETID, including uncertainty. Cost models based on the predictions indicate that LETID has a significant and climate-dependent impact on LCOE. Finally, we show that - even given the uncertainties identified in the study - these financial calculations can provide useful guidance to quantify risk based on accelerated test results. The analysis serves as an example of developing a predictive approach to PV reliability using physics of failure.

14 SOLAR ENERGY↗
DOE OSTI2021

Implementation of the Windowed Multipole Method in Shift

The windowed multipole (WMP) method has been implemented in the Shift Monte Carlo (MC) radiation transport code with support for both CPU and GPU execution. With this method, small WMP data libraries (~100 MB) can be used to accurately Doppler broaden cross sections to arbitrary temperatures “on the fly” during an MC simulation. This approach yields significant memory savings relative to traditional methods, making it ideal for high-fidelity analysis such as coupled multiphysics simulations. This document provides the exact forms of the WMP equations used by Shift, as well as a detailed description of the structure of WMP HDF5 data files provided by the Massachusetts Institute of Technology (MIT). The Shift implementation has been validated against the OpenMC radiation transport code, with excellent agreement demonstrated for 70 nuclides across an operative range of temperatures. CPU and GPU performance testing using a small module reactor (SMR) problem demonstrated that this method decreases the neutron tracking rate by a factor of ~2 on the Summitdev machine. A new set of WMP data being developed in-house will employ novel methods to improve tracking rates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Preliminary Thermal-hydraulics and Selected Safety Analysis for Holos-Quad Reactor Design

This report presents thermal hydraulics and safety analyses of the 10 MWe Holos-Quad micro-reactor design developed by HolosGen LLC. These analyses were executed under steady-state and station black-out (SBO) transient conditions using the System Analysis Module (SAM), with a focus on ensuring peak fuel temperatures do not exceed the safety thresholds of 1,250°C for steady state normal operating conditions and 1,600°C for transient conditions. For steady-state temperature predictions, a coupled 1D fluid-to-3D solid heat conduction methodology was used. The steady-state simulations included a model of the central core region where power peaking occurs to predict the maximum steady-state fuel temperature, and a coarse-mesh full-core model to provide the initial condition for the consequent transient SBO decay heat removal simulation. The maximum fuel temperature predicted from the central core region simulations under the normal operating condition was 1,222°C, which is below the design limit 1,250°C. To simulate a SBO transient, a full core model was necessary because of the non-axial symmetric core design and heat loss from the outer core structures to the environment. To reduce the required computational costs, a novel scaled subassembly approach was used to model the full core domain. With the full core steady-state temperature distribution provided as the initial condition, the passive decay heat removal of the core was simulated with the scaled subassembly full core model under SBO transient conditions. This analysis showed that the peak fuel temperatures of the Holos-Quad core remained below their steady-state values during the transient, therefore much lower than the safety limit 1,600°C. This is mainly due to the large thermal inertia of the graphite matrix, relatively low power density, and the large surface-to-volume-ratio of the core. The preliminary analyses presented in this report confirm the inherent safety of the Holos-Quad micro-reactor thermal-hydraulics design, as the peak fuel temperatures under both normal and off-normal operational conditions remain within design and safety limits.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

An Educational Guide for 2D Stellar Structure Calculations of Rapidly Rotating Stars using the ESTER code

The Evolution STEllaire en Rotation (ESTER) code is the first 2D stellar structure code to be made open-source and freely available to the astronomy and astrophysics community. An important and novel advancement of this code is that it can reproduce the distorted shape and observable signatures (e.g., gravity darkening) of rapidly rotating stars. ESTER also calculates the steady-state large-scale flows within the star, namely their differential rotation and associated meridional circulation. In this report, we explore and document the physics implemented within version 1.1.0rc2 of the ESTER code, in a way that complements published descriptions. We illustrate this physics by plotting how stellar structure parameters vary through stellar interiors at a range of latitudes and at different angular velocities. We investigate how the thin convective envelopes of intermediate mass stars vary with latitude when rapidly rotating, becoming deeper and thicker near the equator. Simple comparisons of ESTER model predictions (e.g., central temperature and density, luminosity) with the output from the Modules for Experiments in Stellar Astrophysics (MESA) code [Paxton et al., 2010] shows generally good agreement. Additional comparisons provide important benchmarking and verification for ESTER as a comparatively young code. Finally, we provide a guide for installing and running the code on our local university cluster, aimed at helping students to begin work.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Liquid-Cooled Heat Sink Optimization for Thermal Imbalance Mitigation in Wide-Bandgap Power Modules

Power semiconductor die layout in substrates used in power modules is generally optimized for minimum electrical parasitics (e.g., stray inductance) by considering the minimum spacing between dies for thermal decoupling. The layout assumes sufficient heat spreading and transfer from dies to the cooling structure. For module designs using a direct substrate cooling method, the base plate is removed, leading to a steady-state thermal asymmetry in the power module due to insufficient heat spreading/transfer. This causes significant temperature differences among the devices. Such unintentional thermal asymmetries can lead to undesirable asymmetries in power conversion among semiconductor devices, which impact reliability. This article proposes a thermal imbalance mitigation method that uses evolutionary optimized liquid-cooled heat sinks to improve the thermal loading among devices.

Sahu, Raj↗
DOE OSTI2020

Improving Heat Conduction of Insulated Metal Substrate with Thermal Pyrolytic Graphite Core for SiC Power Module Packaging

TPG-core IMS concept was jointly explored in this study. Integrating high thermally conductive TPG graphite core into IMS is expected to simultaneously achieve high thermal conductivity from TPG and electrical functionalities from IMS. Nearly 2x thermal conductivity and 30% weight saving was demonstrated on TPG-core IMS compared to conventional Cu-core IMS. Significant junction temperature reduction (11°C) in steady state and power cycling was revealed by the thermal analysis as the result of improved thermal spreading in plane and through the thickness. The study also proved the manufacturability and compatibility of this TPG-core IMS structure to the existing IMS production and power module assembling. Finally, the integration of TPG and IMS paves a new packaging route to increase heat load, improve reliability, simplify module design and reduce assembling cost and number of steps.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Implementation of the Glued Sphere Discrete Element Model for Non-Spherical Particles in MFiX Software

To enhance solver capabilities, simulation flexibility and model validation within the MFiX software, the U.S. Department of Energy (DOE) is funding efforts to develop and integrate the glued-sphere discrete element method into the latest version of MFiX as a dedicated computational module. The glued-sphere discrete element method is a numerical technique to depict the behavior of non-spherical particles in granular flows or particulate systems by representing them as a collection of component spheres. These spheres are bonded together to approximate the shape and mechanical/chemical properties of a more complex particle. The method effectively reuses the existing sphere-sphere collision algorithm, interphase momentum and heat transfer calculations utilized in the traditional discrete element method, extending these capabilities to non-spherical particles. Additionally, this method explicitly resolves intra-particle temperature and species distributions. The MFiX glued-sphere computational module includes tools for generating glued sphere configurations, a dedicated solver, and visualization capabilities in post-processing. More specifically within the computational module, collision detection and calculations were first performed on component spheres and then mapped onto non-spherical particles. The linear spring-dashpot model was utilized to simulate the sphere-sphere interactions.

Ke, Renjie↗
DOE OSTI2021

Performance and flexibility improvements of Staged Pressurized Oxy-Combustion

Staged Pressurized Oxy-Combustion (SPOC) is a low-carbon coal combustion power technology being developed by Washington University in St. Louis (WUSTL). Oxy-combustion plants enable straightforward capture of carbon dioxide (CO 2 ) by removing most of the nitrogen in the combustion air prior to use, thereby burning fuel in near-pure oxygen instead of air, producing a flue gas containing primarily CO 2 and water. CO 2 capture at amounts > 90% is possible, often using cryogenic air separation. Oxy-combustion typically relies on flue gas recycle (FGR) to reduce the peak temperature and radiation that would otherwise occur in a fuel/oxygen only flame. SPOC reduces the peak temperatures of combustion by utilizing two or more pressurized boiler modules connected in series to produce fuel staging; hence, only a portion of the fuel is combusted in any given furnace module. This means that the thermal energy released at each stage can be captured and removed from the gases prior to subsequent stages, when more fuel is introduced. This allows the SPOC process to operate with minimal FGR, avoiding the associated efficiency losses and additional costs. Also, the process operates at an elevated gas-side pressure, reducing boiler size, enhancing heat transfer to achieve a compact boiler configuration as compared to an atmospheric-pressure boiler design, and allowing for recovery of the latent heat of the water from the flue gas at a temperature useful to the steam cycle. The resultant net efficiency of the system is over 3 percentage points greater than traditional atmospheric-pressure oxy-combustion, and 7 percentage points greater than the post combustion variant, representing a step-change improvement over first-generation capture technologies. To further develop the concept, WUSTL and the Electric Power Research Institute, Inc., organized a project with American Air Liquide, Inc., Doosan Babcock Limited, and the U.S. Department of Energy to investigate a practicable and workable boiler design. The team has identified the potential for enhanced process flexibility for controlling power generation over a wider load range than is normally available to conventional coal-fired power plants due to the staged nature of the heat release. With increasing intermittent renewable generator contribution, on-demand generators need to be highly flexible to participate in the future energy market, requiring extensive operation at reduced load. Conventional coal-fired steam generators typically face challenges in maintaining temperature control of the reheat steam and main steam at reduced loads. This results in inefficient operation, both in terms of the boiler efficiency and steam turbine heat rate. The results of this project show the SPOC process is capable of exceptional turndown, both on a stage basis and with the ability to bypass entire stages. Oxygen-supply flexibility was also investigated, as this is also a key consideration for the overall flexibility of the SPOC process given the operating constraints of conventional air separation units. A boiler design concept assessment was conducted and was focused on delivering compact and constructible design. The assessment checked appropriate tube operating metal temperatures at full load and at lower operating loads, balanced against the needs of efficient coal combustion, and the resultant slagging and ash environments. Combustion testing in the 100-kWth pressurized combustion test rig at WUSTL was carried out to validate the combustion, heat flux profiles and burnout at multiple loads. Combustion parameters investigated were flame stability, fuel burnout, ash composition, radiative heat flux, and temperature profiles. The results of these tests formed the basis of a full-scale boiler design that will encompass improvements in both efficiency and flexibility over conventional oxy-combustion processes. The air separation unit flexibility was investigated, and associated cost implications were addressed. Detailed economic assessment results for a 550 MWe net power block are also provided, allowing for a comparison against the baseline NETL oxy-combustion and post combustion capture cases.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Modulation of ENSO teleconnections over North America by the Pacific decadal oscillation

In this study, we investigate whether the Pacific decadal oscillation (PDO) can enhance or diminish El Niño Southern Oscillation (ENSO) temperature and precipitation teleconnections over North America using five single model initial-condition large ensembles (SMILEs). The use of SMILEs facilitates a statistically robust comparison of ENSO events that occur during different phases of the PDO. We find that a positive PDO enhances winter and spring El Niño temperature and precipitation teleconnections and diminishes La Niña teleconnections. A negative PDO has the opposite effect. The modulation of ENSO by the PDO is mediated by differences in the location and strength of the Aleutian Low and Pacific Jet during ENSO events under different phases of the PDO. This modulation is a simple combination of the individual effects of the PDO and ENSO over North America. Finally, we show that ENSO and the PDO can be used to evaluate the likelihood of the occurrence of temperature and precipitation anomalies in different regions, but cannot be used as a deterministic predictor of these anomalies due to the large variability between individual events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Toward High Conversion Efficiency of Thermoelectric Modules through Synergistical Optimization of Layered Materials

Abstract Waste‐heat electricity generation using high‐efficiency solid‐state conversion technology can significantly decrease dependence on fossil fuels. Here, a synergistical optimization of layered half‐Heusler (hH) materials and module to improve thermoelectric conversion efficiency is reported. This is realized by manufacturing multiple thermoelectric materials with major compositional variations and temperature‐gradient‐coupled carrier distribution by one‐step spark plasma sintering. This strategy provides a solution to overcome the intrinsic concomitants of the conventional segmented architecture that only considers the matching of the figure of merit ( zT ) with the temperature gradient. The current design is dedicated to temperature‐gradient‐coupled resistivity and compatibility matching, optimum zT matching, and reducing contact resistance sources. By enhancing the quality factor of the materials by Sb‐vapor‐pressure‐induced annealing, a superior zT of 1.47 at 973 K is achieved for (Nb, Hf)FeSb hH alloys. Along with the low‐temperature high‐ zT hH alloys of (Nb, Ta, Ti, V)FeSb, the single stage layered hH modules are developed with efficiencies of ≈15.2% and ≈13.5% for the single‐leg and unicouple thermoelectric modules, respectively, under Δ T of 670 K. Therefore, this work has a transformative impact on the design and development of next‐generation thermoelectric generators for any thermoelectric material families.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗