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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A Novel Three-Phase Oak Ridge AC / DC Converter for Wireless EV Charger Applications

In this paper, a novel three-phase converter is proposed for ac to dc wireless power transfer (WPT) systems for electric vehicle (EV) charging applications. The proposed innovative solution, called as Oak Ridge Converter, reduces the design complexity and cost by eliminating the front-end converter stage compared to the conventional systems. Additionally, grid side requirements can be met with the proposed creative concept. In this concept, the three-phase single-stage Oak Ridge Converter directly converts the 60 Hz grid frequency into high-frequency voltage and utilizes hybrid grid-source and high-frequency to realize power transfer from AC source through resonant network and coupling coils to the battery load. Simulation validation of the proposed three-phase system is currently being carried on and the results will be will be provided to validate the theoretical studies with the input of 277 VAC,RMS and output of 675 VDC at 35 kW power. The system current total harmonic distortion (THD) is measured 5% with a power factor (PF) of 0.98 and overall hardware development of the system that will be used for experiments is presented.

Asa, Erdem↗
DOE OSTI2021

A first principles framework to predict the transient performance of latent heat thermal energy storage

Thermal energy storage (TES) is increasingly recognized as an essential component of efficient Combined Heat and Power (CHP), Concentrated Solar Power (CSP), Heating Ventilation and Air Conditioning (HVAC), and refrigeration as it reduces peak demand while helping to manage intermittent availability of energy (e.g., from solar or wind). Latent Heat Thermal Energy Storage (LHTES) is a viable option because of its high energy storage density. Parametric analysis of LHTES in terms of dimensionless numbers is highly desired as a tool to model LHTES systems. One approach is to develop a model equation so as to minimize the error between the model and data obtained from experiments or simulations. While this approach can produce an accurate correlation applicable within the range of data used for its creation, it does not provide physical understanding of the rate-limiting process controlling the transient behavior of the device. In this paper we present an alternative approach whereby the potential rate-limiting processes are identified from first principles and then the key process is determined as a function of time as a LHTES device is charged. For example, in a simple geometry, the melt-fraction can be expected to vary linearly in time if the heat transfer rate is limited by natural convection of the phase changing material and we show it scales with the PCM Grashof number as $Gr^1_p$ and PCM Prandtl number as $Pr_p^{(1/3)}$. On the other hand, if surface area of solid PCM limits the heat transfer rate, the melt fraction increases asymptotically to reach full melting. The existence of these linear and asymptotic regions and the $Gr^1_pP r^{1/3}_p$ shape of the melt fraction curve is verified using our database of 64 simulations. Of practical importance in designing LHTES devices is the melt fraction at which the heat transfer rate ceases to be limited by convection, after which the heat storage rate deteriorates. For our geometry, this is found to be about 90%. This test case of our methodology shows the value of our approach, that predicting heat storage rate based on the rate-limiting physical phenomenon as a function of time is an effective approach to modeling LHTES devices.

25 ENERGY STORAGE↗
DOE OSTI2024

Challenging Common Assumptions of Thick-Wall Chamber Dynamics in Inertial Fusion Systems using MOOSE

As an increasing number of companies look toward commercial Inertial Fusion Energy (IFE) designs, there is a pressing need to understand the physics of thick-wall chamber gas dynamics. The thick liquid wall approach implements a renewable wall to mitigate the fusion target emissions, thereby reducing the radiation damage rate and significantly extending the lifetime of chamber structures, leading to increased plant availability and reduced waste streams in comparison to dry wall chamber designs. It is necessary, however, to assess the critical performance and safety aspects of these systems. For example, it is crucial to predict (1) where the mass ablated from the liquid walls will vent, which determines the placement of condensing surfaces; (2) debris propagation up the beam lines, which provides essential information for design and protection requirements; (3) peak pressures and impulse on chamber walls, which affect chamber structural design; and (4) momentum transfer to the liquid jets, which constrains the shape and positioning of the jets. In turn, the chamber design and its liquid walls affect shielding requirements, material activation, and tritium fuel cycle. Currently available simulation tools, however, are unable to accurately capture key thick-wall chamber dynamics. Significant assumptions are often made to simplify the system and reduce computational cost and modeling capability needs, but the impact of these assumptions on simulation predictions has not been evaluated. For example, no three-dimensional simulations can be found in the open literature to evaluate gas venting and momentum transfer to the jets with simulations using two-dimensional domains to represent complex three-dimensional geometries. Moreover, limited studies have been dedicated to jet breakup due to both turbulence and neutron heating, and no studies have been found that evaluate how jet breakup can impact shock-jet interaction. Furthermore, effects of radiative heat transfer have rarely been included for the hydrodynamic phase of shock propagation, and integration of proper equations of state in shock dynamics codes has been mostly exploratory. In this study, we use the flexible, high-fidelity Multiphysics Object-Oriented Simulation Environment (MOOSE) to model these complex phenomena and inform design and safety studies. Capabilities to model thick-wall chamber gas dynamics are being developed, and the impact of the assumptions listed above (i.e., two-dimensional vs three-dimensional, absence of jet breakout, no radiative heat transfer, and ideal gas behavior) are being quantified.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Challenging Common Assumptions of Thick-Wall Chamber Dynamics in Inertial Fusion Systems Using MOOSE-based Multiphysics Simulations

As an increasing number of companies look toward commercial Inertial Fusion Energy (IFE) designs, there is a pressing need to understand the physics of thick-wall chamber gas dynamics. The thick liquid wall approach implements a renewable wall to mitigate the fusion target emissions, thereby reducing the radiation damage rate and significantly extending the lifetime of chamber structures, leading to increased plant availability and reduced waste streams in comparison to dry wall chamber designs. It is necessary, however, to assess the critical performance and safety aspects of these systems. For example, it is crucial to predict (1) where the mass ablated from the liquid walls will vent, which determines the placement of condensing surfaces; (2) debris propagation up the beam lines, which provides essential information for design and protection requirements; (3) peak pressures and impulse on chamber walls, which affect chamber structural design; and (4) momentum transfer to the liquid jets, which constrains the shape and positioning of the jets. In turn, the chamber design and its liquid walls affect shielding requirements, material activation, and tritium fuel cycle. Currently available simulation tools, however, are unable to accurately capture key thick-wall chamber dynamics. Significant assumptions are often made to simplify the system and reduce computational cost and modeling capability needs, but the impact of these assumptions on simulation predictions has not been evaluated. For example, no three-dimensional simulations can be found in the open literature to evaluate gas venting and momentum transfer to the jets with simulations using two-dimensional domains to represent complex three-dimensional geometries. Moreover, limited studies have been dedicated to jet breakup due to both turbulence and neutron heating, and no studies have been found that evaluate how jet breakup can impact shock-jet interaction. Furthermore, effects of radiative heat transfer have rarely been included for the hydrodynamic phase of shock propagation, and integration of proper equations of state in shock dynamics codes has been mostly exploratory. In this study, we use the flexible, high-fidelity Multiphysics Object-Oriented Simulation Environment (MOOSE) to model these complex phenomena and inform design and safety studies. Capabilities to model thick-wall chamber gas dynamics are being developed, and the impact of the assumptions listed above (i.e., two-dimensional vs three-dimensional, absence of jet breakout, no radiative heat transfer, and ideal gas behavior) are being quantified.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Single-Step Mechanism for Regioselective Nitration of 9,10-BN-Naphthalene with Acetyl Nitrate in the Gas Phase

Here, the energetics of the regioselective mononitration of 9,10-BN-naphthalene with acetyl nitrate (H 3 C 2 NO 4 ) were modeled with ab initio simulations in the gas phase and an acetonitrile solvent. The single-electron-transfer (SET) nitration mechanism leading to a σ-complex and a single-step nitration mechanism were modeled. The energy barrier for the single-step mechanism was lower than that for the SET mechanism in the gas phase. However, the two are much more energetically competitive in the solvent. The σ-complex was found to be unstable in the gas phase owing to the interaction with the counterion. Using the single-step mechanism, the carbon site 1 nearest boron had the lowest activation energy for nitration of 22.6 kcal/mol, while site 3 had the second lowest barrier of 24.6 kcal/mol. Finally, details on the molecular structures at intermediate and transition states as well as charges in different configurations are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A 1MHz Oak Ridge AC / DC Converter for UAV Contactless Charger Implementation

In this paper, a 1 MHz single-phase Oak Ridge Converter (ORC) AC/DC wireless power transfer (WPT) system is introduced for unmanned air vehicle (UAV) charging applications. The proposed advanced solution eliminates the design, weight, volume, and the cost of the power factor correcting (PFC) front-end rectifier compared to the conventional practices. Additionally, grid power quality requirements can be achieved with the presented innovative idea. With this method, single stage WPT primary side uses the hybrid grid frequency and high frequency (60 Hz and 1 MHZ) from ac source through the coupler coils and to UAV battery with GaN FETs. Experimental results of the single-phase system is presented to confirm the mathematical analyses with the source voltage of 110 VAC, RMS and output voltage of 40 VDC at 1 kW power with 6 inches air gap between couplers. The primary coupler consists of a ferrite-backed single-turn coil with a radius of 1.5 ft, and the secondary coupler is made with an air-core single-turn coil with radius of 1.2 ft. The system overall ac to dc efficiency is measured 77 % acquiring 0.99 power factor (PF) and 3.3 % current total harmonic distortion (THD) at 1 kW power.

Asa, Erdem↗
DOE OSTI2020

Waste Shielded Casks Transfer by Funicular from the Surface to Disposal Level in Cigeo - 20007

Andra is completing the detailed engineering phase of Cigeo - the French HLW and ILW-LL DGR. A funicular system is dedicated to the transfer of the waste disposal containers from the surface to the underground infrastructures down the nuclear access ramp. This paper explains the rationale having led to the choice of a funicular and presents the advantages of this system. Main technical components and mechanical performance of the funicular system are then detailed. Lastly, the ongoing two stages qualification testing program managed by Andra (in order to reach a level 6 on the international Technology Readiness Level scale) is discussed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Electronic structure of the honeycomb iridate Cu 2 ⁢IrO 3 at high pressure

Cu 2 IrO 3 has attracted recent interest due to its proximity to the Kitaev quantum spin liquid state and the complex structural response observed at high pressures. We use x-ray spectroscopy and scattering as well as electrical transport techniques to unveil the electronic structure of Cu 2 IrO 3 at ambient and high pressures. Despite featuring a Ir 4+ J eff = 1/2 state at ambient pressure, Ir L 3 -edge resonant inelastic x-ray scattering reveals broadened electronic excitations that point to the importance of Ir 5d-Cu 3d interaction. High pressure first drives an Ir-Ir dimer state with collapsed < L · S > and < L z >/< S z >, signaling the formation of 5d molecular orbitals. A novel Cu → Ir charge transfer is observed above 30 GPa at low temperatures, leading to an approximate Ir 3+ and Cu 1.5+ valence, with persistent insulating electrical transport seemingly driven by charge segregation of Cu 1+ /Cu 2+ ions into distinct sites. Concomitant x-ray spectroscopy and diffraction measurements through different thermodynamic paths demonstrate a strong electron-lattice coupling, with J eff = 1/2 and Ir 3+ /Cu 1.5+ electronic states occurring only in phases 1 and 5, respectively. Remarkably, the charge-transfer state can only be reached if Cu 2 IrO 3 is pressurized at low temperature, suggesting that phonons play an important role in the inhibiting this phase. Furthermore, these results point to the choice of thermodynamic path across interplanar collapse transition as a key parameter to access novel states in intercalated iridates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Probing interfacial momentum closures in two-phase bubbly flow with machine learning-aided methods

Computational fluid dynamics (CFD) approach has already reached a high level of maturity for single-phase flows, however the development of closure models for two-phase flow requires additional attention. Multiphase CFD (M-CFD) methods resolve the conservation equations for mass, momentum and energy while differing in the approaches and strategies adopted in the physical closure models. The most widely adopted framework for M-CFD is the Eulerian-Eulerian two-fluid approach which assumes that all phases are co-existing inside each computational cell. For each fluid, the full set of conservation equations is solved; therefore, each fluid has a different velocity field. For adiabatic two-phase flow, the mechanisms of the interfacial momentum transfer are modeled by the interfacial forces representing different physical mechanisms. One of the crucial issues in the development and application of two-fluid model is the understanding of the interfacial momentum closures which determines the bubble distribution and migration behaviors. Dedicated experiments are performed to support the physical understanding and drive the closures’ development. However, limitations exist due to the uncertainties in the experimental measurement and the simplified analytical assumptions which have difficulties on representing the complex non-linear flow fields. In this paper, a data-driven approach, Feature Similarity Measurement (FSM), is developed and proposed to resolve the challenges of modeling the interfacial forces closures. Case study is performed with two-phase flow scenarios where the high-fidelity experimental data is available. Within the Eulerian-Eulerian two-fluid framework, only momentum equations for gas and liquid phases are solved and reduced-order interfacial momentum closures are aided with FSM. Predictions of void fraction and velocity fields are analyzed and demonstrate the potential of machine learning-driven interfacial forces closures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Revisiting constraints on asymmetric dark matter from collapse in white dwarf stars

The runaway collapse phase of a small dark matter cluster inside a white dwarf star encompasses a reversible stage, where heat can be transferred back and forth between nuclear and dark matter. Induced nuclear burning phases are stable and early carbon depletion undermines previous claims of type Ia supernova ignition. Instead, mini black holes are formed at the center of the star that either evaporate or accrete stellar material until a macroscopic sub-Chandrasekhar-mass black hole is formed. In the latter case, a 0.1 to 1 second lasting electromagnetic transient signal can be detected upon ejection of the white dwarf’s potential magnetic field. Binary systems that transmute to black holes and subsequently merge emit gravitational waves. Advanced LIGO should detect one such sub-Chandrasekhar binary black hole inspiral per year, while future Einstein telescope-like facilities will detect thousands per year. The effective spin parameter distribution is peaked at 0.2 and permits future studies to disentangle from primordial sub-Chandrasekhar black holes. Such signatures are compatible with current direct detection constraints, as well as with neutron star constraints in the case of bosonic dark matter, even though they remain in conflict with the fermionic case for part of the parameter space.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Imaging the short-lived hydroxyl-hydronium pair in ionized liquid water

The radiolysis of water is ubiquitous in nature and plays a critical role in numerous biochemical and technological applications. Although the elementary reaction pathways for the ionized water have been studied, the short-lived intermediate complex and structural dynamic response after the proton transfer reaction remain poorly understood. Here, using liquid-phase ultrafast electron diffraction technique to measure the intermolecular O··O and O··H bonds, we captured the short-lived radical-cation complex OH(H 3 O + ) that was formed within 140 femtoseconds through a direct oxygen-oxygen bond contraction and proton transfer, followed by the radical-cation pair dissociation and the subsequent structural relaxation of water within 250 femtoseconds. These measurements provide direct evidence of capturing this metastable radical-cation complex before separation, thereby improving our fundamental understanding of elementary reaction dynamics in ionized liquid water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Deformation Behavior of β Phase in a WE54 Magnesium Alloy

Second phases play a significant role in the development of high-performance magnesium alloys with rare earth elements. Here, in situ tensile tests combined with synchrotron radiation were carried out to investigate the deformation behavior of β phases in a WE (Mg–Y–Gd–Nd) alloy. By lattice strain analysis, it was found that micro load continuously transferred from the soft α-Mg matrix to the hard β phases during the whole plastic deformation, while this behavior was much more obvious at the beginning of deformation. Based on diffraction peak broadening, Williamson–Hall (W–H) plotting was used to study the microstrain of β phases. The results showed that the microstrain of β phases increased rapidly within 4% plastic strain and reached the maximum at plastic strain of ~6.5%. Since the β phases acted as hard phases, the microstrain was considered as a sign of the stress concentration near phase interfaces. It was also suggested that the effective release of local stress concentration at the β/α-Mg interface benefited the ductility of the WE alloy by the plastic deformation of β phases and phase interface sliding.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Study of Ferrocene Diffusion in Toluene/Tween 20/1-Butanol/Water Microemulsions for Redox Flow Battery Applications

Redox flow batteries (RFBs) possess multiple advantages as a flexible energy storage solution. However, RFB researchers are still facing many challenges in finding an appropriate electrolyte. Microemulsions have recently been proposed as a promising alternative RFB electrolyte because of their ability to accommodate organic redox species with fast electron transfer rates that are not soluble in aqueous phase, while still offering the high conductivity of an aqueous salt electrolyte. In this work, we focused on understanding the transport of ferrocene (Fc) in a toluene/Tween 20/1-butanol/water model microemulsion and studied the compositional influence on Fc diffusion. The results show that Fc redistributes among the oil, surfactant, and water microenvironments, and the corresponding diffusion and partition coefficients are quantified. Thus, a tortuous path diffusion model is proposed to describe the mass transport of Fc to an electrode surface. Diffusion coefficients are also obtained by pulsed-field gradient nuclear magnetic resonance (PFG NMR), while the values for Fc diffusion are substantially higher than those from electrochemical measurements, suggesting that they measure samples in different ways. The current contributions from each microenvironment indicate that the Fc permeability is much higher in the oil, even though the electron transfer reaction is likely occurring in the surfactant.

25 ENERGY STORAGE↗
DOE OSTI2024

In tube condensation of low global warming potential refrigerants in an axial micro-fin aluminum tube

Environmental regulations have driven the development of refrigerants with low global warming potential (GWP). To design heat exchangers using these new refrigerants, data are needed concerning the heat transfer coefficient and pressure drop in two-phase flow. Another change is the increasing use of aluminum tubes rather than copper tubes to reduce heat exchanger cost. Hence, this study presents an experimental investigation of flow condensation using an expanded axial micro-fin aluminum tube with a fin-tip diameter of 5.96 mm. Here, the experiments included single compounds R-32, R-1234yf, and R-1234ze(E), zeotropic mixtures with low glide (R-454B), and zeotropic mixtures with high-glide (R-454C and R-455A). Experiments were conducted at condensation temperatures ranging from 40 °C to 50 °C, reduced pressures ranging from 0.21 to 0.55, and mass fluxes ranging from 150 to 350 kg/(m 2 s). Data obtained for these refrigerants constitute one of the first reports for high-glide refrigerants using axial micro-fin aluminum tubes. An evaluation of heat transfer degradation of zeotropic mixtures due to mass transfer resistance at the liquid/vapor interface is presented. This information can be used to design heat exchangers for next generation air conditioning and refrigeration systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Flexible atomic layer deposition system for coating porous materials

In this paper, we describe an atomic layer deposition (ALD) system that is optimized for the growth of thin films on high-surface-area, porous materials. The system incorporates a moveable dual-zone furnace allowing for rapid transfer of a powder substrate between heating zones whose temperatures are optimized for precursor adsorption and oxidative removal of the precursor ligands. The reactor can both be evacuated, eliminating the need for a carrier gas during precursor exposure, and rotated, to enhance contact between a powder support and the gas phase, both of which help us to minimize mass transfer limitations in the pores during film growth. The capabilities of the ALD system were demonstrated by growing La 2 O 3 , Fe 2 O 3 , and LaFeO 3 films on a 120 m 2 g -1 MgAl 2 O 4 powder. Analysis of these films using scanning transmission electron microscopy and temperature-programmed desorption of 2-propanol confirmed the conformal nature of the oxide films.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Optical information transfer through random unknown diffusers using electronic encoding and diffractive decoding

Free-space optical information transfer through diffusive media is critical in many applications, such as biomedical devices and optical communication, but remains challenging due to random, unknown perturbations in the optical path. We demonstrate an optical diffractive decoder with electronic encoding to accurately transfer the optical information of interest, corresponding to, e.g., any arbitrary input object or message, through unknown random phase diffusers along the optical path. This hybrid electronic-optical model, trained using supervised learning, comprises a convolutional neural network-based electronic encoder and successive passive diffractive layers that are jointly optimized. After their joint training using deep learning, our hybrid model can transfer optical information through unknown phase diffusers, demonstrating generalization to new random diffusers never seen before. The resulting electronic-encoder and optical-decoder model was experimentally validated using a 3D-printed diffractive network that axially spans <70λ, where λ = 0.75 mm is the illumination wavelength in the terahertz spectrum, carrying the desired optical information through random unknown diffusers. The presented framework can be physically scaled to operate at different parts of the electromagnetic spectrum, without retraining its components, and would offer low-power and compact solutions for optical information transfer in free space through unknown random diffusive media.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Flow boiling in geometrically modified microchannels

Microchannels are a promising solution for high-heat-flux thermal management scenarios, including high-performance microelectronics cooling and power electronics cooling. However, thermohydraulic instabilities result from the rapid vapor bubble formation. The prior literature has examined several methods, including constricted inlet microchannels, expanding microchannels, and auxiliary jetting microchannels, to mitigate the effect of these instabilities. Computational fluid dynamics and heat transfer (CFD/HT) modeling of the flow boiling phenomena in these microchannel configurations has seen limited examination, and one-to-one numerical comparisons of the different mitigation strategies have not been performed. In the present investigation, CFD/HT analyses using a three-dimensional (3D) volume of fluid model coupled with a phase-change model for the interfacial heat and mass transfer were performed for multiple microchannel configurations (constricted inlet, expanding, and auxiliary jetting microchannels). A benchmark case of a rectangular microchannel was examined to quantify baseline thermohydraulic performance. Results demonstrated slight to significant thermal performance improvements for all cases, and significant pressure benefits for the expanding and jetting cases, consistent with experimental results in the literature. Bubble dynamics and visualization for the baseline and alternative configurations are provided to give insight into their underlying physics, and the differences in performance were investigated and compared with available literature.

Broughton, Justin (ORCID:000000026848457X)↗
DOE OSTI2026

From diamond to BC8 to simple cubic and back: Kinetic pathways to post-diamond carbon phases from metadynamics

Understanding the kinetic pathways connecting carbon polymorphs at multimegabar pressures remains a major unsolved problem in high-pressure physics. Here, we provide insights into the long-standing question of BC8 formation and stability by combining a state-of-the-art SNAP machine-learning interatomic potential with enhanced sampling via metadynamics, enabling direct access to transition mechanisms far beyond the reach of standard molecular dynamics. Our simulations show that carbon phase transformations are intrinsically complex, proceeding through multiple intermediate disordered and crystalline states governed by nontrivial kinetic ordering. We determine the upper pressure limit for BC8 formation and reveal that hexagonal diamond transforms to BC8 faster than cubic diamond—an unexpected and experimentally testable prediction. We also identify a 𝑃⁢222 carbon phase that becomes competitive with diamond and simple cubic above 1.8 TPa, and we demonstrate that BC8 may be quenched to ambient conditions at moderate temperatures. Altogether, these results establish a general and transferable framework for resolving kinetic pathways in solid-solid phase transitions and provide physical insights into carbon's complex high-pressure landscape.

36 MATERIALS SCIENCE↗