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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Quantum driven dissipative parametric oscillator in a blackbody radiation field

We consider the general open system problem of a charged quantum oscillator confined in a harmonic trap, whose frequency can be arbitrarily modulated in time, that interacts with both an incoherent quantized (blackbody) radiation field and with an arbitrary coherent laser field. We assume that the oscillator is initially in thermodynamic equilibrium with its environment, a non-factorized initial density matrix of the system and the environment, and that at t = 0 the modulation of the frequency, the coupling to the incoherent and the coherent radiation are switched on. The subsequent dynamics, induced by the presence of the blackbody radiation, the laser field, and the frequency modulation, is studied in the framework of the influence functional approach. This approach allows incorporating, in analytic closed formulae, the non-Markovian character of the oscillator-environment interaction at any temperature as well the non-Markovian character of the blackbody radiation and its zero-point fluctuations. Expressions for the time evolution of the covariance matrix elements of the quantum fluctuations and the reduced density-operator are obtained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Electrification Futures Study: Scenarios of Power System Evolution

Electrification of end-use technologies could have important implications for bulk power sector planning, operations, and impacts. By combining previously-defined electrification scenarios with capacity expansion modeling, we evaluate the potential challenges and opportunities associated with electrification. Our scenario analysis reveals that electrification reduces energy consumption and air emissions from across the energy sector, and its impacts on energy system costs are modest due, in part, to the abundance of low-cost resources in the United States.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Parallel Electrochemical Treatment System and Application for Identifying Acid-Stable Oxygen Evolution Electrocatalysts

There are many energy technologies require electrochemical stability or preactivation of functional materials. Due to the long experiment duration required for either electrochemical preactivation or evaluation of operational stability, parallel screening is required to enable high throughput experimentation. We found that imposing operational electrochemical conditions to a library of materials in parallel creates several opportunities for experimental artifacts. We discuss the electrochemical engineering principles and operational parameters that mitigate artifacts int he parallel electrochemical treatment system. We also demonstrate the effects of resistive losses within the planar working electrode through a combination of finite element modeling and illustrative experiments. Operation of the parallel-plate, membrane-separated electrochemical treatment system is demonstrated by exposing a composition library of mixed metal oxides to oxygen evolution conditions in 1M sulfuric acid for 2h. This application is particularly important because the electrolysis and photoelectrolysis of water are promising future energy technologies inhibited by the lack of highly active, acid-stable catalysts containing only earth abundant elements.

14 SOLAR ENERGY↗
DOE OSTI2017

A robust BAO extractor

We define a procedure to extract the oscillating part of a given nonlinear Power Spectrum, and derive an equation describing its evolution including the leading effects at all scales. The intermediate scales are taken into account by standard perturbation theory, the long range (IR) displacements are included by using consistency relations, and the effect of small (UV) scales is included via effective coefficients computed in simulations. We show that the UV effects are irrelevant in the evolution of the oscillating part, while they play a crucial role in reproducing the smooth component. Our 'extractor' operator can be applied to simulations and real data in order to extract the Baryonic Acoustic Oscillations (BAO) without any fitting function and nuisance parameter. We conclude that the nonlinear evolution of BAO can be accurately reproduced at all scales down to 0 z = by our fast analytical method, without any need of extra parameters fitted from simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Parallel Fokker–Planck-DSMC algorithm for rarefied gas flow simulation in complex domains at all Knudsen numbers

A major challenge for the conventional Direct Simulation Monte Carlo (DSMC) technique lies in the fact that its computational cost becomes prohibitive in the near continuum regime, where the Knudsen number (Kn)—characterizing the degree of rarefaction—becomes small. In contrast, the Fokker–Planck (FP) based particle Monte Carlo scheme allows for computationally efficient simulations of rarefied gas flows in the low and intermediate Kn regime. The Fokker–Planck collision operator—instead of performing binary collisions employed by the DSMC method—integrates continuous stochastic processes for the phase space evolution in time. This allows for time step and grid cell sizes larger than the respective collisional scales required by DSMC. Dynamically switching between the FP and the DSMC collision operators in each computational cell is the basis of the combined FP-DSMC method, which has been proven successful in simulating flows covering the whole Kn range. Until recently, this algorithm had only been applied to two-dimensional test cases. In this contribution, we present the first general purpose implementation of the combined FP-DSMC method. Utilizing both shared- and distributed-memory parallelization, this implementation provides the capability for simulations involving many particles and complex geometries by exploiting state of the art computer cluster technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Characterization of dynamic morphological changes of tin anode electrode during (de)lithiation processes using in operando synchrotron transmission X-ray microscopy

The morphological evolution of tin particles with different sizes during the first lithiation and delithiation processes has been visualized by an in operando synchrotron transmission X-ray microscope (TXM). Here, the in operando lithium ion battery cell was operated at constant current condition during TXM imaging. Two-dimensional projection images with 40 nm resolution showing morphological evolution were obtained and analyzed. The analysis of relative area change shows that the morphology of tin particles with different sizes changed simultaneously. This phenomenon is mainly because of a negative feedback mechanism among tin particles in the battery electrode at a constant current operating condition. For irregular-shaped tin particles, the contour analysis demonstrates that the regions with higher curvature started volume expansion first, and then the entire particle expanded almost homogeneously. This study provides insights for understanding the dynamic morphological change and the particle-particle interactions in high capacity lithium ion battery electrodes.

25 ENERGY STORAGE↗
DOE OSTI2026

Spacetime quantum mechanics for bosonic and fermionic systems

We provide a Hilbert space approach to quantum mechanics where space and time are treated on an equal footing. Our approach replaces the standard dependence on an external classical time parameter with a spacetime-symmetric algebraic structure, thereby unifying the axioms that traditionally distinguish the treatment of spacelike and timelike separations. Standard quantum evolution can be recovered from timelike correlators, defined by means of a quantum action operator, a quantum version of the action of classical mechanics. The corresponding map also provides an alternative perspective on the path integral formulation that, in the case of fermions, does not require the use of Grassmann variables. In addition, the formalism can be interpreted in terms of generalized quantum states, codifying both the conventional information of a quantum system at a given time and its evolution. We show that these states are solutions to a quantum principle of stationary action grounded in timelike correlations and pseudo-entropies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Unified description of DGLAP, CSS, and BFKL evolution: TMD factorization bridging large and small x

This paper introduces a transverse-momentum dependent (TMD) factorization scheme designed to unify both large and small Bjorken-x regimes. We compute the next-to-leading order quantum chromodynamics (QCD) corrections to the gluon TMD operator for an unpolarized hadron within this proposed scheme. This leads to the emergence of a new TMD evolution, incorporating those in transverse momentum, rapidity, and Bjorken-x. When matched to the collinear factorization scheme, our factorization scheme faithfully reproduces the well-established Dokshitzer-Gribov-Lipatov-Altarelli-Parisi and Collins-Soper-Sterman (CSS) evolutions. Conversely, matching with high-energy factorization not only yields the Balitsky-Fadin-Kuraev-Lipatov evolution but also reveals distinctive signatures of CSS logarithms. The development of this novel TMD factorization scheme, capable of seamlessly reconciling disparate Bjorken-x regimes and faithfully reproducing established QCD evolution equations, has the potential to significantly advance our comprehension of high-energy processes and three-dimensional parton structures of hadrons. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Understanding and improving anode performance in an alkaline membrane electrolyzer using statistical design of experiments

The behavior of the oxygen-evolving positive electrode (i.e. anode) in the anion exchange membrane water electrolyzer (AEMEL) is complex and influenced by several factors. Very few studies have been performed to understand oxygen evolution reaction (OER) behavior by optimizing the individual factors that influence performance. Here, this study highlights the effects of catalyst loading, catalyst selection, porous transport layer (PTL) type and conductive additive content. The influence of each factor is elucidated through a design of experiments (DoE) approach with a full statistical analysis. Electrochemical data, alongside Pareto charts, parametric trends and their mutual interactions are discussed. This DoE approach is also helpful in making useful predictions and discovering new combinations to be tested. The end result was a high-performance AEMEL able to operate at a current density of 1.0 A/cm 2 at 1.80 V with IrOx OER and PtNi hydrogen evolution reaction (HER) catalysts using 0.3 M KOH fed to the anode. Even lower operating voltage was observed with PbRuOx catalyst at the anode, 1.64 V @ 1.0 A/cm 2 , though the cell decay rate was higher. Lastly, a IrOx/PtNi cell was stably operated continuously for 30 days (720 h) at 1.0 A/cm 2 . This study can serve as a guide for optimal electrode design with insights into component-performance compromises, which can aid in making design choices and performing techno-economic analyses.

08 HYDROGEN↗
DOE OSTI2023

Multidimensional visualization of the dynamic evolution of Li metal via in situ/operando methods

The growing demands for high-energy density electrical energy storage devices stimulate the coupling of conversion-type cathodes and lithium (Li) metal anodes. While promising, the use of these “Li-free” cathodes brings new challenges to the Li anode interface, as Li needs to be dissolved first during cell operation. In this study, we have achieved a direct visualization and comprehensive analysis of the dynamic evolution of the Li interface. The critical metrics of the interfacial resistance, Li growth, and solid electrolyte interface (SEI) distribution during the initial dissolution/deposition processes were systematically investigated by employing multidimensional analysis methods. They include three-electrode impedance tests, in situ atomic force microscopy, scanning electrochemical microscopy, and cryogenic scanning transmission electron microscopy. The high-resolution imaging and real-time observations show that a loose, diffuse, and unevenly distributed SEI is formed during the initial dissolution process. This leads to the dramatically fast growth of Li during the subsequent deposition, deviating from Fick’s law, which exacerbates the interfacial impedance. The compactness of the interfacial structure and enrichment of electrolyte species at the surface during the initial deposition play critical roles in the long-term stability of Li anodes, as revealed by operando confocal Raman spectroscopic mapping. In conclusion, our observations relate to ion transfer, morphological and structural evolution, and Li (de)solvation at Li interfaces, revealing the underlying pathways influenced by the initial dissolution process, which promotes a reconsideration of anode investigations and effective protection strategies.

25 ENERGY STORAGE↗
DOE OSTI2022

Magnetic braking saturates: evidence from the orbital period distribution of low-mass detached eclipsing binaries from ZTF

ABSTRACT We constrain the orbital period (Porb) distribution of low-mass detached main-sequence eclipsing binaries (EBs) with light-curves from the Zwicky Transient Facility (ZTF), which provides a well-understood selection function and sensitivity to faint stars. At short periods (Porb ≲ 2 d), binaries are predicted to evolve significantly due to magnetic braking (MB), which shrinks orbits and ultimately brings detached binaries into contact. The period distribution is thus a sensitive probe of MB. We find that the intrinsic period distribution of low-mass (0.1 ≲ M1/M⊙ < 0.9) binaries is basically flat (${\rm d}N/{\rm d}P_{\rm orb} \propto P_{\rm orb}^0$) from Porb = 10 d down to the contact limit. This is strongly inconsistent with predictions of classical MB models based on the Skumanich relation, which are widely used in binary evolution calculations and predict ${\rm d}N/{\rm d}P_{\rm orb} \propto P_{\rm orb}^{7/3}$ at short periods. The observed distributions are best reproduced by models in which the magnetic field saturates at short periods with a MB torque that scales roughly as $\dot{J}\propto P_{\rm orb}^{-1}$, as opposed to $\dot{J} \propto P_{\rm orb}^{-3}$ in the standard Skumanich law. We also find no significant difference between the period distributions of binaries containing fully and partially convective stars. Our results confirm that a saturated MB law, which was previously found to describe the spin-down of rapidly rotating isolated M dwarfs, also operates in tidally locked binaries. We advocate using saturated MB models in binary evolution calculations. Our work supports previous suggestions that MB in cataclysmic variables (CVs) is much weaker than assumed in the standard evolutionary model, unless mass transfer leads to significant additional angular momentum loss in CVs.

El-Badry, Kareem (ORCID:0000000268711752)↗
DOE OSTI2021

Resilience in an Evolving Electrical Grid

Fundamental shifts in the structure and generation profile of electrical grids are occurring amidst increased demand for resilience. These two simultaneous trends create the need for new planning and operational practices for modern grids that account for the compounding uncertainties inherent in both resilience assessment and increasing contribution of variable inverter-based renewable energy sources. This work reviews the research work addressing the changing generation profile, state-of-the-art practices to address resilience, and research works at the intersection of these two topics in regards to electrical grids. The contribution of this work is to highlight the ongoing research in power system resilience and integration of variable inverter-based renewable energy sources in electrical grids, and to identify areas of current and further study at this intersection. Areas of research identified at this intersection include cyber-physical analysis of solar, wind, and distributed energy resources, microgrids, network evolution and observability, substation automation and self-healing, and probabilistic planning and operation methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Radiation Damage in Materials—Helium Effects

Despite its scarcity in terrestrial life, helium effects on microstructure evolution and thermo-mechanical properties can have a significant impact on the operation and lifetime of applications, including: advanced structural steels in fast fission reactors, plasma facing and structural materials in fusion devices, spallation neutron target designs, energetic alpha emissions in actinides, helium precipitation in tritium-containing materials, and nuclear waste materials. The small size of a helium atom combined with its near insolubility in almost every solid makes the helium–solid interaction extremely complex over multiple length and time scales. This Special Issue, “Radiation Damage in Materials—Helium Effects”, contains review articles and full-length papers on new irradiation material research activities and novel material ideas using experimental and/or modeling approaches. These studies elucidate the interactions of helium with various extreme environments and tailored nanostructures, as well as their impact on microstructural evolution and material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Defect-Driven Oxide Transformations and the Electrochemical Interphase

The redox reaction pathway is crucial to the sustainable production of the fuels and chemicals required for a carbon-neutral society. Our society is becoming increasingly dependent on devices using batteries and electrolyzers, all of which rely on a series of redox reactions. The overall properties of oxide materials make them very well suited for such electrochemical and catalytic applications due to their associated cationic redox properties and the static site-adsorbate interactions. As these technologies have matured, it has become apparent that defect-driven redox reactions, defect-coupled diffusion, and structural transformations that are both time- and rate-dependent are also critical materials processes. This change in focus, considering not only redox properties but also more complex, dynamic behaviors, represents a new research frontier in the molecular sciences as they are strongly linked to device operation and degradation and lie at the heart of various phenomena that take place at electrochemical interfaces. Fundamental studies of the structural, electronic, and chemical transformation mechanisms are key to the advancement of materials and technological innovations that could be implemented in various electrochemical systems. In this Account, we focus on recent studies and advances in characterizing and understanding the dynamic redox evolution and structural transformations that take place in model perovskites and layered oxides under reactive conditions and correlate them with degradation mechanisms and operations in electrolyzers and batteries. We show that the dynamic evolution of oxygen vacancies and cationic migration in the surface or bulk occurs at the solid-liquid interface, using a combination of different synchrotron-based Xray spectroscopies and scattering probes. Detailed redox-structure-reactivity correlation studies show how defects and diffusion processes can be tailored to drive various physical and chemical transformations in electrolyzers and batteries. We also highlight a strong correlation between oxygen redox reactivity and structural reorganization in both model thin films and particles, helping to bridge the gap between fundamental studies of the reaction mechanism and device applications. Finally, on the basis of these findings, we discuss strategies to probe and tune the redox reactivity and structural stability of the redox-active oxide interphase toward devising efficient pathways for energy and chemical harvesting.

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

Collective Thomson scattering measurement of plasma evolution during the current pulse in a laser-triggered switch

High-voltage laser-triggered switches (HV-LTSs) are used in pulsed-power applications where low jitter and precise timing are required. The switches allow operation in the megaampere, megavolt regime while maintaining low insertion losses. Currently, there is a lack of detailed plasma measurements in these switches, yet such measurements are needed to elucidate the detailed physics, which include a range of processes such as laser breakdown, streamer formation and growth, current flow, plasma evolution, and cooling. Detailed spatially- and temporally resolved measurements of plasma properties within the switches could contribute to validating and advancing numeric models of these systems. This contribution presents laser Thomson scattering measurements of the electron number density and temperature evolution in a HV-LTS. The switch was operated at 6 kV with current flow for a duration of 145 ns and a peak current density of 0.2 MA/cm2 into a matched load. The Thomson scattering diagnostic system uses a 532 nm probe from an Nd:YAG laser allowing a temporal resolution of ∼10 ns. We find that during the switch current pulse, the plasma electron temperature rose from a starting value of 8.1 ± 1.6 eV (due to cooling of the earlier trigger laser plasma) to a peak value of 26 ± 5 eV with an associated increase in the electron density from 8.6 ± 1.7 × 1017 to 3.1 ± 0.6 × 1018 cm−3.

Gottfried, Jacob A. (ORCID:0000000290058841)↗
DOE OSTI2024

Fourier-MIONet: Fourier-enhanced multiple-input neural operators for multiphase modeling of geological carbon sequestration

Geologic carbon sequestration (GCS) is a safety-critical technology that aims to reduce the amount of carbon dioxide in the atmosphere, which also places high demands on reliability. Multiphase flow in porous media is essential to understand CO 2 migration and pressure fields in the subsurface associated with GCS. However, numerical simulation for such problems in 4D is computationally challenging and expensive, due to the multiphysics and multiscale nature of the highly nonlinear governing partial differential equations (PDEs). It prevents us from considering multiple subsurface scenarios and conducting real-time optimization. Here, we develop a Fourier-enhanced multiple-input neural operator (Fourier-MIONet) to learn the solution operator of the problem of multiphase flow in porous media. Fourier-MIONet utilizes the recently developed framework of the multiple-input deep neural operators (MIONet) and incorporates the Fourier neural operator (FNO) in the network architecture. Once Fourier-MIONet is trained, it can predict the evolution of saturation and pressure of the multiphase flow under various reservoir conditions, such as permeability and porosity heterogeneity, anisotropy, injection configurations, and multiphase flow properties. Compared to the enhanced FNO (U-FNO), the proposed Fourier-MIONet has 90% fewer unknown parameters, and it can be trained in significantly less time (about 3.5 times faster) with much lower CPU memory (<15%) and GPU memory (<35%) requirements, to achieve similar prediction accuracy. In addition to the lower computational cost, Fourier-MIONet can be trained with only 6 snapshots of time to predict the PDE solutions for 30 years. Furthermore, we observed that Fourier-MIONet can maintain good accuracy when predicting out-of-distribution (OOD) data. The excellent generalizability of Fourier-MIONet is enabled by its adherence to the physical principle that the solution to a PDE is continuous over time. Furthermore, the developed Fourier-MIONet makes it possible to solve the long-time evolution of geological carbon sequestration in a large-scale three-dimensional space accurately and efficiently.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Blending Cr 2 O 3 into a NiO-Ni electrocatalyst for sustained water splitting

The rising H 2 economy demands active and durable electrocatalysts based on low-cost, earth-abundant materials for water electrolysis/photolysis. Here we report nanoscale Ni metal cores over-coated by a Cr 2 O 3 -blended NiO layer synthesized on metallic foam substrates. The Ni@NiO/Cr 2 O 3 triphase material exhibits superior activity and stability similar to Pt for the hydrogen-evolution reaction in basic solutions. The chemically stable Cr 2 O 3 is crucial for preventing oxidation of the Ni core, maintaining abundant NiO/Ni interfaces as catalytically active sites in the heterostructure and thus imparting high stability to the hydrogen-evolution catalyst. The highly active and stable electrocatalyst enables an alkaline electrolyzer operating at 20 mA cm –2 at a voltage lower than 1.5 V, lasting longer than 3 weeks without decay. Thus, the non-precious metal catalysts afford a high efficiency of about 15 % for light-driven water splitting using GaAs solar cells.

08 HYDROGEN↗
DOE OSTI2017

Mechanical and Microstructural Effects of Thermal Aging on Cast Duplex Stainless Steels by Experiment and Finite Element Method

Cast duplex stainless steel piping in light water nuclear reactors expe- rience thermal aging embrittlement during operational service. Interest in extending the operational life to 80 years requires an increased understanding of the microstructural evolution and corresponding changes in mechanical behavior. We analyze the evolution of the microstructure during thermal aging of cast CF-3 and CF-8 stainless steels using electron microscopy and atom probe tomography. The evolution of the mechanical properties is measured concurrently by mechanical methods such as tensile tests, Charpy V-notch tests, and instrumented nanoinden- tation. A microstructure-based finite element method model is developed and uti- lized in conjunction with the characterization results in order to correlate the local stress-strain effects in the microstructure with the bulk measurements. This work is supported by the DOE Nuclear Energy University Programs (NEUP), contract number DE-NE0000724.

36 MATERIALS SCIENCE↗