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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Hydrogen and Electric Charging Infrastructure for Heavy-Duty Trucks: A Nationally Scalable Megaregion Assessment

Decarbonizing regional and long-haul freight is challenging due to the limitations of battery-electric commercial vehicles and infrastructure constraints. Hydrogen fuel cell medium- and heavy-duty vehicles (MHDVs) offer a viable alternative, aligning with the decarbonization goals of the Department of Energy and commercial entities. Historically, alternative fuels like compressed natural gas and liquefied propane gas have faced slow adoption due to barriers like infrastructure availability. To avoid similar issues, effective planning and deploying zero-emission hydrogen fueling infrastructure is crucial. This research develops deployment plans for affordable, accessible, and sustainable hydrogen refueling stations, supporting stakeholders in the decarbonized commercial vehicle freight system. It aims to benefit underserved and rural energy-stressed communities by improving air quality, reducing noise pollution, and enhancing energy resiliency. This research also provides a blueprint for replacing diesel in over-the-road Class 8 freight truck applications with hydrogen fueling solutions. The study focuses on the Texas Triangle Megaregion (I-45, I-35, and I-10), the I-10 corridor between San Antonio, TX, and Los Angeles, CA, and the I-5/CA-99 corridors between Los Angeles, CA, and San Francisco, CA. This area represents a significant portion of U.S. heavy-duty freight movement, carrying ~8.5% of the national freight volume. Using the OR-AGENT (Optimal Regional Architecture Generation for Efficient National Transport) modeling framework, the study conducts an advanced assessment of commercial vehicles, road and freight networks, and energy systems. The framework integrates data on freight mobility, traffic, weather, and energy pathways to deliver a region-specific, optimized vehicles powertrain architectures, infrastructure deployment solutions, operational logistics, and energy pathways. By considering all vehicle origin-destination pairs utilizing these corridors and all feasible fueling station location options, the framework's genetic algorithm identifies the minimum number and optimal locations of hydrogen refueling stations, ensuring no vehicle is stranded. It also determines fuel schedules and quantities at each station. A roadmap for station deployment based on multiple adoption trajectories ensures a strategic rollout of hydrogen refueling infrastructure.

Sujan, Vivek [ORNL] (ORCID:0000000269882342)↗
DOE OSTI2022

Implementing General Framework in MFIX for Radiative Heat Transfer in Gas-Solid Reacting Flows (Final Report)

The current knowledge gap between radiation and multiphase flow communities is the greatest barrier to developing predictive models for radiation, the dominant mode of heat transfer in gas-solid reacting flows. The objectives of this research are (1) to develop and implement a general framework to support the integration of modern radiation models for gas-solid reacting flows; (2) to implement a methodology for developing new multiphase radiation models with accuracy and efficiency commensurate with their importance in energy-related applications, and (3) to demonstrate the accuracy and efficiency of the radiation models under typical gas-solid reacting flow conditions.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Managing photon flux in a miniaturized photoionization detector

Miniaturized photoionization detectors (PIDs) are used in conjunction with gas chromatography systems to detect volatile compounds in gases by collecting the current from the photoionized gas analytes. PIDs should be inexpensive and compatible with a wide range of analyte species. One such PID is based on the formation of a He plasma in a dielectric barrier discharge (DBD), which generates vacuum UV (VUV) photons from excited states of He to photoionize gas analytes. There are several design parameters that can be leveraged to increase the ionizing photon flux to gas analytes to increase the sensitivity of the PID. To that end, the methods to maximize the photon flux from a pulsed He plasma in a DBD-PID were investigated using a two-dimensional plasma hydrodynamics model. The ionizing photon flux originated from the resonance states of helium, He(3P) and He(2 1 P), and from the dimer excimer He 2 *. While the photon flux from the resonant states was modulated over the voltage pulse, the photon flux from He 2 * persisted long after the voltage pulse passed. Several geometrical optimizations were investigated, such as using an array of pointed electrodes. However, increasing the capacitance of the dielectric enclosing the plasma chamber had the largest effect on increasing the VUV photon fluence to gas analytes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Molecular Dynamics Simulation of Pore-Size Effects on Gas Adsorption Kinetics in Zeolites

Strong gas-mineral interactions or slow adsorption kinetics require a molecular-level understanding of both adsorption and diffusion for these interactions to be properly described in transport models. In this combined molecular simulation and experimental study, noble gas adsorption and mobility is investigated in two naturally abundant zeolites whose pores are similar in size (clinoptilolite) and greater than (mordenite) the gas diameters. Simulated adsorption isotherms obtained from grand canonical Monte Carlo simulations indicate that both zeolites can accommodate even the largest gas (Rn). However, gas mobility in clinoptilolite is significantly hindered at pore-limiting window sites, as seen from molecular dynamics simulations in both bulk and slab zeolite models. Further, experimental gas adsorption isotherms for clinoptilolite confirm the presence of a kinetic barrier to Xe uptake, resulting in the unusual property of reverse Kr/Xe selectivity. Finally, a kinetic model is used to fit the simulated gas loading profiles, allowing a comparison of trends in gas diffusivity in the zeolite pores.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Solar Power + Electric Vehicle Charging: Capturing Synergies in Minnesota

Despite the state policy support, significant market barriers to decarbonization of transportation remain. Analysis conducted by the National Renewable Energy Laboratory (NREL) and others confirm that without routine access to charging infrastructure, both at home and in non-residential locations, bullish market forecasts are unlikely to materialize. Similarly, the expansion of EV charging and variable renewable energy deployment each have potentially disruptive and costly effects on the distribution grid. Finally, electrification of passenger vehicles is not enough to decarbonize transportation without pathways to carbon-free electrification, linking EV charging and clean energy generation. This document examines the opportunity to jointly deploy solar energy and EV charging infrastructure to capture synergistic value, mitigate for risks associated with integrating and scaling both solar and EV charging, and accelerate their mutual deployment.

14 SOLAR ENERGY↗
DOE OSTI2023

Thermodynamic analysis of a two-stage binary-fluid ejector heat pump water heater

Ejector heat pump water heaters (EHPWHs) could significantly increase the thermal efficiency of domestic water heating and reduce greenhouse gas emissions. This study addresses two major technical barriers to using EHPWHs in domestic water heating—low heating cycle coefficient of performance (COP) and low condensation temperatures—using binary fluid pairs as a working fluid in a two-stage ejector system. A comprehensive, geometry-free model of binary-fluid ejectors was built and validated to predict the entrainment ratios of binary-fluid ejectors. A thermodynamic model of a two-stage binary-fluid ejector EHPWH was built to predict the heating cycle COP of EHPWHs. The performance of the EHPWH was theoretically evaluated using HFE7000 and Novec649 as primary fluids and R600 and R1234ze(Z) as secondary fluids. HFE7000/R600 gave the highest heating cycle COP (i.e., 1.356) in producing domestic hot water at 60.0 °C. An optimum evaporation temperature of the primary fluid was identified for the maximum effective entrainment ratio and effective pressure lift ratio of two-stage ejectors. Here, the effective entrainment ratio of the two-stage ejector dominated the heating cycle COP of the EHPWH. Primary fluids with lower latent heats of evaporation and/or secondary fluids with higher latent heats of evaporation yielded higher heating cycle COPs of EHPWHs.

42 ENGINEERING↗
DOE OSTI2023

A clean ballistic quantum point contact in strontium titanate

The perovskite oxide strontium titanate (SrTiO 3 ) combines electrostatic tunability, superconductivity and spin–orbit coupling, and is of potential use in the development of quantum devices. However, exploring quantum effects in SrTiO 3 nanostructures is challenging because of the presence of disorder. Here, in this work, we report high-mobility, gate-tunable devices in SrTiO 3 that have ballistic constrictions and clean normal-state conductance quantization. Our devices are based on SrTiO 3 two-dimensional electron gas channels that have a thin hafnium oxide barrier layer between the channel and an ionic liquid gate. Conductance plateaus show twofold degeneracy that persists for magnetic fields of at least 5 T. This is above what is expected from the g factors extracted at high fields and could be a signature of electron pairing extending outside the superconducting regime.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mechanistic nuclear fuel performance modeling of uranium nitride

Uranium mononitride (UN) is a nuclear fuel candidate for advanced reactor designs and an alternative being considered for light water reactors due to its higher thermal conductivity and uranium density than UO 2 . As with any nuclear fuel, swelling and fission gas release are important factors for safety, while also being some of the hardest phenomena to predict with a high degree of confidence. Getting a grasp on the gas swelling behavior and release is crucial to lower the barrier for UN utilization. An accelerated swelling rate at high temperatures observed experimentally, sometimes referred to as “breakaway swelling,” further complicates the prediction of fuel performance of UN. A mechanistic model has been developed using a multiscale approach to describe the intragranular and intergranular fission gas behavior. Lower-length-scale calculations have been employed to inform models of the gas and self-diffusion behavior, resolution rate, and bubble shape. Leveraging previous work on high burnup UO 2 , two populations of intragranular bubbles are considered; small bulk bubbles and larger bubbles located along dislocations. The dislocation bubbles were found to be crucial to the overall swelling behavior, and the breakaway swelling transition was associated with the transition in the gas atom diffusion mechanism from an irradiation-induced athermal diffusion regime at lower temperatures to an intrinsic thermal equilibrium regime at higher temperatures, accelerating the growth of the dislocation bubbles. Similarly, the threshold for fission gas release was associated with the grain boundary vacancy diffusivity surpassing the gas atom diffusivity at sufficiently high temperatures, allowing the over-pressurized grain boundary bubble to grow in size and interconnect. Using thermo-mechanical models with the fission gas model, two integral fuel pin assessment cases were simulated. Finally, this work demonstrates the ability of a multiscale approach to accelerate the understanding of advanced fuel forms when experimental data is limited.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Phenomenological Model of Nonlinear Dynamics and Deterministic Chaotic Gas Migration in Bentonite: Experimental Evidence and Diagnostic Parameters

Understanding gas migration in compacted clay materials, e.g., bentonite and claystone, is important for the design and performance assessment of an engineered barrier system of a radioactive waste repository system, as well as many practical applications. Existing field and laboratory data on gas migration processes in low-permeability clay materials demonstrate the complexity of flow and transport processes, including various types of instabilities, caused by nonlinear dynamics of coupled processes of liquid–gas exchange, dilation, fracturing, fracture healing, etc., which cannot be described by classical models of fluid dynamics in porous media. We here show that the complexity of gas migration processes can be explained using a phenomenological concept of nonlinear dynamics and deterministic chaos theory. To do so, we analyzed gas pressure and gas influx (i.e., input) and outflux (i.e., output), recorded during the gas injection experiment in the compact Mx80-D bentonite sample, and calculated a set of the diagnostic parameters of nonlinear dynamics and chaos, such a global embedding dimension, a correlation dimension, an information dimension, and a spectrum of Lyapunov exponents, as well as plotted 2D and 3D pseudo-phase-space strange attractors, based on the univariate influx and outflux time series data. These results indicate the presence of phenomena of low-dimensional deterministic chaotic behavior of gas migration in bentonite. In particular, during the onset of gas influx in the bentonite core, before the breakthrough, the development of gas flow pathways is characterized by the process of chaotic gas diffusion. After the breakthrough, with inlet-to-outlet movement of gas, the prevailing process is chaotic advection. During the final phase of the experiment, with no influx to the sample, the relaxation pattern of gas outflux is resumed back to a process of chaotic diffusion. The types of data analysis and a proposed phenomenological model can be used to establish the basic principles of experimental data-gathering, modeling predictions, and a research design.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hybrid Ceramic-CMC Vane with EBC for Future Coal Derived Syngas Fired 65% Efficient Turbine Combined Cycle

The efficiency of both simple cycle and combined cycle power generation systems scale with the peak temperature at which the gas exits the combustor to drive the turbine. In conventional systems, a substantial fraction of the total turbine core flow exiting the compressor is diverted downstream to cool metallic turbine hardware rather than power the turbine, much of which is used to cool the first-stage turbine vane. The use of coal derived syngas fuels provides an additional challenge to the lifetime of materials utilized in the turbine, as particulate byproducts created in the coal gasification process melt in the combustion gas, and can subsequently deposit and interact with the turbine hardware. The development of durable hot-section materials capable of operating at temperature well above that of single crystal superalloy airfoil/zirconia based thermal barrier coatings is critical to realizing 65% efficient coal derived syngas fired gas turbine based power systems. To enable higher turbine inlet temperatures while lowering cooling air requirements, United Technologies Research Center (UTRC), the central R&D laboratory supporting UT Pratt & Whitney, led the conceptual design of a new type of ceramic composite turbine hot section materials system. The design focused on a novel hybrid monolithic ceramic-fiber reinforced ceramic matrix composite (CMC) first stage turbine vane having an environmental barrier coating. By utilizing ceramic construction in the turbine hot-section, the core flow normally used to cool metallic components will be substantially reduced, increasing efficiency and reducing emissions. To provide the framework for future demonstration testing, UTRC partnered with University of North Dakota Energy and Environmental Research Center (UNDEERC) to provide a conceptual design for a gasified coal fed high-pressure turbine combustor system designed to mimic the conditions expected in a future 65% fuel to busbar efficient syngas fueled gas turbine based combined cycle. The UNDEERC and UTRC collaborated on characterizing dusts from coal gasifier filtration systems.

10 SYNTHETIC FUELS↗
DOE OSTI2026

An Overview of Potential Future Aviation Energy Carriers

Global jet fuel demand is projected to grow to 165 billion gallons by 2050 and there is growing interest in the aviation industry to understand the capabilities of alternative energy carriers. This report considers several potential energy carriers, reviewing their production potential, operational considerations, and economic implications to inform potential next steps in aeronautics research. The following energy carriers (i.e., fuels) were evaluated in this study for future use in aviation: sustainable aviation fuel (SAF) - both biomass-based and power-to-liquids (PtL) - based SAF - cryogenic hydrogen (LH 2 ) - also known as liquid hydrogen - liquefied natural gas (LNG), liquefied ethane (LE), and Jet X. The barriers and opportunities for the evaluated energy carriers vary. SAF is a commercially available drop-in fuel compatible with existing aircraft and infrastructure. SAF is limited by both higher prices and slow commercialization of multiple pathways using different feedstocks necessary to significantly grow supply. Cryogenic fuels, in contrast, have very different thermal, physical, and chemical properties than SAF and Jet A, requiring the construction of new airport storage and dispensing infrastructure and the design of new aircraft energy systems capable of mitigating heat transfer and boil-off. Cryogenic fuels offer an opportunity to diversify aviation fuel carriers from domestic energy relevant for both energy security and resilience. This means cryogenic fuels are more of a longer-term solution for aircraft but are worth exploring for potential future cost savings and emissions benefits. Jet X refers to non-drop-in liquid hydrocarbon fuels in the early stages of investigation seeking favorable properties. There are substantial barriers to non-drop-in liquid aviation fuels that are not compatible with existing aircraft and fuel infrastructure.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

CFD/FEA Co-Simulation Framework for Analysis of the Thermal Barrier Coating Design and Its Impact on the HD Diesel Engine Performance

Thermal barrier coatings (TBCs) have been investigated both experimentally and through simulation for mixing controlled combustion (MCC) concepts as a method for reducing heat transfer losses and increasing cycle efficiency, but it is still a very active research area. Early studies were inconclusive, with different groups discovering obstacles to realizing the theoretical potential. Nuanced papers have shown that coating material properties, thickness, microstructure, and surface morphology/roughness all can impact the efficacy of the thermal barrier coating and must be accounted for. Adding to the complexities, a strong spatial and temporal heat flux inhomogeneity exists for mixing controlled combustion (diesel) imposed onto the surfaces from the impinging flame jets. In support of the United States Department of Energy SuperTruck II program goal to achieve 55% brake thermal efficiency on a heavy-duty diesel engines, this study sought to develop a deeper insight into the inhomogeneous heat flux from mixing controlled combustion on thermal barrier coatings and to infer concrete guidance for designing coatings. To that end, a co-simulation approach was developed that couples high-fidelity computational fluid dynamics (CFD) modeling of in-cylinder processes and combustion, and finite element analysis (FEA) modeling of the thermal barrier-coated and metal engine components to resolve spatial and temporal thermal boundary conditions. The models interface at the surface of the combustion chamber; FEA modeling predicts the spatially resolved surface temperature profile, while CFD develops insights into the effect of the thermal barrier coating on the combustion process and the boundary conditions on the gas side. The paper demonstrates the capability of the framework to estimate cycle impacts of the temperature swing at the surface, as well as identify critical locations on the piston/thermal barrier coating that exhibit the highest charge temperature and highest heat fluxes. In addition, the FEA results include predictions of thermal stresses, thus enabling insight into factors affecting coating durability. An example of the capability of the framework is provided to illustrate its use for investigating novel coatings and provide deeper insights to guide future coating design.

42 ENGINEERING↗
DOE OSTI2021

Comprehensive process and environmental impact analysis of integrated DBD plasma steam methane reforming

Utilization of electricity generated from renewable sources to obtain hydrogen, H 2 , is of critical importance to decrease the overall carbon footprint. Here in this work, integration of a dielectric discharge barrier (DBD) plasma reactor to convert low calorific value gas, such as landfill gas or coal mine gas into hydrogen, into the existing steam methane reforming (SMR) technology was evaluated using process design considerations. In particular, a DBD-enhanced catalytic SMR reactor was modeled to operate at near atmospheric pressure and 500 °C sequentially with the conventional reformer to obtain ~ 65 kmol/hr H2 for distributed production. This allowed decreasing the size of the conventional reformer albeit at the increased overall electricity consumption. Calculated process economics showed that only at an electricity cost of less than $0.004/kWh does the hybrid DBD plasma process derived H 2 price become competitive with that of the conventional SMR. A Life Cycle Assessment framework was used to compare environmental impacts from the conventional SMR, hybrid DBD SMR and hybrid DBD SMR utilizing only onshore wind-derived electricity. Larger environmental impacts in the plasma reformer were obtained due to the use of electricity for the plasma reforming operation, which was modeled as coming from the typical U.S. grid mix. Utilizing only 100% wind-derived electricity provided certain environmental benefits, except for the ecotoxicity impact where the wind power scenario modeled here only reduced ecotoxicity impacts associated with electricity by 30%.

08 HYDROGEN↗
DOE OSTI2022

Susceptibility weighted MRI pinpoints spontaneous intracerebral hemorrhage in stroke-prone spontaneously hypertensive rats

Purpose: To find magnetic resonance imaging (MRI) precursors of spontaneous intracerebral hemorrhage in stroke-prone spontaneously hypertensive rats (SHRSP). Method: SHRSP rats were used with both a low/high salt (n = 18 or 11) Japanese diet and salty drinking water to generate spontaneous intracerebral hemorrhage (ICH). Various MRI sequences, and in particular, susceptibility weighted imaging (SWI), were used and combined with a gadolinium (Gd) contrast agent or oxygen gas to identify the rupture of the blood brain barrier (BBB) and the temporal ICH. Results: Most rats developed hypertensive ICH stroke in the high salt group during the 10–13 week period compared to only one third of rats in the low salt group during the 14–18 week period. The location of stroke for both the low/high-salt groups was highest in the striatum (58%/43%), followed by the cortex (21%/30%). The edematous enhancement on T2 weighted (T2W) imaging or Gd based T1 weighted (Gd-T1W) imaging due to the ruptured BBB preceded the striatal hemorrhages seen on SWI. The most recent bleeds were observed on temporal SWI or on oxygen-enhanced SWI. The mode of the volume of bleeds was 0.4 mm 3 . A positive correlation between susceptibility x volume and R2* x volume of the bleeds was observed. Conclusions: SHRSP rats with the high salt diet effectively generated a hypertensive hemorrhagic stroke which could be monitored by various MRI sequences. The venous dilation on SWI may precede any abnormality on T2W or Gd-T1W imaging. The edematous enhancement on T2W or Gd-T1W indicated a BBB breakdown that may precede striatal ICH by several days. This suggests the need for immediate treatment to improve outcome if this finding is observed. Here, the use of oxygen with SWI was able to help differentiate old bleeds from very recent bleeds.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Observation of Slow Eigen-Zundel Interconversion in H + (H 2 O) 6 Clusters upon Isomer-Selective Vibrational Excitation and Buffer Gas Cooling in a Cryogenic Ion Trap

The formation of isomers when trapping floppy cluster ions in a temperature-controlled ion trap is a generally observed phenomenon. This involves collisional quenching of the ions initially formed at high temperature by buffer gas cooling until their internal energies fall below the barriers in the potential energy surface that separate them. Here we explore the kinetics at play in the case of the two isomers adopted by the H + (H 2 O) 6 cluster ion that differ in the proton accommodation motif. One of these is most like the Eigen cation with a tricoordinated hydronium motif (denoted E), and the other is most like the Zundel ion with the proton equally shared between two water molecules (denoted Z). After initial cooling to about 20 K in the radiofrequency (Paul) trap, the relative populations of these two spectroscopically distinct isomers are abruptly changed through isomer-selective photoexcitation of bands in the OH stretching region with a pulsed (~6 ns) infrared laser while the ions are in the trap. We then monitor the relaxation of the vibrationally excited clusters and reformation of the two cold isomers by recording infrared photodissociation spectra with a second IR laser as a function of delay time from the initial excitation. The latter spectra are obtained after ejecting the trapped ions into a time-of-flight photofragmentation mass spectrometer, thus enabling long (~0.1 s) delay times. Excitation of the Z isomer is observed to display long-lived vibrationally excited states that are collisionally cooled on a ms time scale, some of which quench into the E isomer. These excited E species then display spontaneous interconversion to the Z form on a ~10 ms time scale. Furthermore, these qualitative observations set the stage for a series of experimental measurements that can provide quantitative benchmarks for theoretical simulations of cluster dynamics and the potential energy surfaces that underlie them.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Covalent adaptable polymer networks with CO 2 -facilitated recyclability

Cross-linked polymers with covalent adaptable networks (CANs) can be reprocessed under external stimuli owing to the exchangeability of dynamic covalent bonds. Optimization of reprocessing conditions is critical since increasing the reprocessing temperature costs more energy and even deteriorates the materials, while reducing the reprocessing temperature via molecular design usually narrows the service temperature range. Exploiting CO 2 gas as an external trigger for lowering the reprocessing barrier shows great promise in low sample contamination and environmental friendliness. Herein, we develop a type of CANs incorporated with ionic clusters that achieve CO 2 -facilitated recyclability without sacrificing performance. The presence of CO 2 can facilitate the rearrangement of ionic clusters, thus promoting the exchange of dynamic bonds. The effective stress relaxation and network rearrangement enable the system with rapid recycling under CO 2 while retaining excellent mechanical performance in working conditions. This work opens avenues to design recyclable polymer materials with tunable dynamics and responsive recyclability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Making It Happen: On-Site Renewable Energy and Storage Challenges and Solutions for Commercial Buildings: Preprint

The U.S. Department of Energy's (DOE's) Better Climate Challenge invites organizations to partner with DOE to set ambitious, portfolio-wide greenhouse gas (GHG) emissions reduction goals. To better understand the barriers to these goals and to demonstrate successful emissions reduction pathways, organizations can access working groups as one form of technical assistance from leading experts. One working group focus was the use of on-site renewable energy and storage - a key decarbonization strategy after energy efficiency. Members of the Better Climate Challenge onsite renewable energy and storage working group first identified barriers to implementing these technologies. Solutions were then brainstormed to support portfolio building owners to move from single systems to widespread implementation. Example insights include improving understandings of installation processes and location decisions, making the business case to relevant stakeholders, discussing unanticipated challenges throughout the process, and replicating these technologies across portfolios. This paper details valuable market feedback and highlights pathways to move toward widespread deployment of renewable energy and storage solutions.

building decarbonization strategies↗