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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Hydrodynamic behavior of wrapped coil water heater tank

In this work, a numerical investigation using computational fluid dynamics (CFD) has been carried out to analyze the thermal behavior of a water tank integrated to a heat pump water heating system (HPWH). The heat pump condenser is a long coil wrapped around the water tank and insulated from outside from which heat is transferred from the heat pump cycle into the water stored inside the tank. The simulated water tank has a capacity of about 170 L with the charging inlet located at the bottom segment of the tank and the discharging outlet located at the top segment of the tank like commercially available water heaters. The tank was simulated during charging/discharging process with isothermal boundary condition at the tank wall to represent the majority of the process for refrigerant condensation inside the heat pump condenser (excluding superheated and sub-cooled section). Three flow rates were selected to represent low, medium and high flow pattern. Both mean and turbulent flow properties were calculated and analyzed. Heat transfer mechanisms inside the tank are quantified by calculating Richardson and Péclet numbers to show the relative contribution of driving forces. The calculations show that advection is dominant over diffusion. Mixing factor is calculated and presented. It is found that the rate of increase of mixing is nonlinear with the increase in flow rate. Mixing increased by a factor of four when the flow rate increased by a factor of two.

stratification↗
DOE OSTI2020

Supramolecular Assembly of U(IV) Clusters and Superatoms with Unconventional Countercations

Superatoms are nanometer-sized molecules or particles that form ordered lattices, mimicking their atomic counterparts. Hierarchical assembly of superatoms gives rise to emergent properties in lattices of quantum dots, p-block clusters, and fullerenes. In this report, we introduce a family of uranium-oxysulfate cluster anions whose hierarchical assembly in water is controlled by two parameters: acidity and the lanthanide or transition-metal countercation. In acid, larger Ln III (Ln = La–Ho) link hexamer (U 6 ) oxoclusters into body-centered cubic frameworks, while smaller Ln III (Ln = Er–Lu and Y) promote linking of 14 U 6 clusters into hollow superclusters (U 84 superatoms). U 84 assembles into superlattices including cubic-closest packed, body-centered cubic, and interpenetrating networks, bridged by interstitial countercations and U 6 clusters. Divalent transition metals (TM = Mn II and Zn II ) charge-balance and promote the fusion of 10 U 6 and 10 U monomers into a wheel-shaped cluster (U 70 ). Dissolution of U 70 in organic media shows (by small-angle X-ray scattering) that differing supramolecular assemblies are accessed, controlled by TM II -linking of U 70 clusters. Magnetic measurements of these assemblies reveal Curie–Weiss behavior at high temperatures, without pairing of the 5f 2 -electrons down to 2 K.

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

Conductivity space isotherm behavior in quantum anomalous Hall devices

The quantum Hall effect (QHE) has enhanced accessibility to measure and disseminate electrical units, owed in part to the recently redefined International System of Units in 2019. Graphene remains one of the preferred options to realize the ohm despite the limitations of high magnetic fields to produce a robust QHE. Topological insulators, on the other hand, show promise in providing quantized resistance via the quantum anomalous Hall effect, a phenomenon that removes the need for magnetic fields during operation. To optimize future devices for metrological applications, it is important to gain a better understanding of magnetically doped topological insulators like Cr-doped bismuth antimony telluride. The application of differential conductivity space analyses offers a more sensitive way to analyze the data and distinguish between 2D and 3D transport behaviors. This is particularly important in thin films, where the transition between 2D and 3D behavior can be subtle. The ability to confidently determine the dimensionality of the transport is crucial for selecting appropriate theoretical models for future device optimization. Furthermore, this work identifies variable range hopping as the dominant transport mechanism in the 2D regime using a rigorous statistical analysis (via the Bayes factor). These elements assist in the understanding of microscopic processes that govern charge transport in these materials.

Tran, N. T. M. [National Inst. of Standards and Te↗
DOE OSTI2024

First simultaneous global QCD analysis of dihadron fragmentation functions and transversity parton distribution functions

We perform a comprehensive study within quantum chromodynamics (QCD) of dihadron observables in electron-positron annihilation, semi-inclusive deep-inelastic scattering, and proton-proton collisions, including recent cross section data from Belle and azimuthal asymmetries from STAR. We extract simultaneously for the first time π + π − dihadron fragmentation functions (DiFFs) and the nucleon transversity distributions for up and down quarks as well as antiquarks. For the transversity distributions we impose their small- x asymptotic behavior and the Soffer bound. In addition, we utilize a new definition of DiFFs that has a number density interpretation to then calculate expectation values for the dihadron invariant mass and momentum fraction. Furthermore, we investigate the compatibility of our transversity results with those from single-hadron fragmentation (from a transverse momentum dependent/collinear twist-3 framework) and the nucleon tensor charges computed in lattice QCD. We find a universal nature to all of this available information. Future measurements of dihadron production can significantly further this research, especially, as we show, those that are sensitive to the region of large parton momentum fractions. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Spin orbit torque in ferromagnet/topological-quantum-material heterostructures

The main objective of this proposal was to investigate the spin-orbital driven phenomena in topological insulator (TI)/ferromagnet (FM) or transition metal (TM) heterostructures. In particularly, we tried to utilize the spin-momentum locking properties on the surface of TIs to achieve ideal spin-orbit torques (SOTs). In practice, we found that the surface properties have been greatly modified, resulting in much more complicated magneto-transport behaviors than what is expected in SOT-driven magnetotransport. Through systematic and extended investigations, we start to unravel that the nonlinear magnetotransport properties, which was, in the past, mainly attributed to SOT-driven phenomena, can be used to infer the modification of the electronic band structures of TIs and spin textures in FMs which are closely related with charge-spin interconversion phenomena. Regarding the band structures In TIs, we find under electrostatic perturbations imposed by deposition of nonmagnetic TMs, the quantum well states formed on the surface of TIs develop substantial Rashba spin-splitting, which is detected as a bilinear magnetoresistance (BMR). Under magnetic perturbations, the nonlinear planar Hall effect (NPHE) in the topological surface states is greatly enhanced, possibly reflecting the modified surface band structure due to time-reversal symmetry breaking. In a double HM/FM heterostructure where the magnetic anisotropy can be robustly tuned, we observed second-harmonic Hall voltage responses corresponding to domain wall structures with fixed chirality, stabilized by interfacial Dzyaloshinskii–Moriya interaction (DMI). In addition, in the linear transport regime, we utilized inverse-SHE-induced anomalous Hall effect in Pt to probe the exchange bias on the surface of a doped magnetic insulator Tm 3 Fe 5 O 12 .

36 MATERIALS SCIENCE↗
NASA NTRS1983

Expansion of a multi-ion plasma into a vacuum

A numerical investigation of the expansion of a plasma with two ion species into a vacuum is presented. A set of Vlasov equations describe the ion behavior and the electrostatic potential is modelled by the Poisson equation. Electrons are assumed to follow Boltzmann's law. A plasma with H(+) and O(+) ions is considered, with the ions forming various combinations. Hydrodynamic calculations are performed for ions and electrons at equal temperatures, and for the presence of hot electrons. Self-similarity is shown to be valid where charge neutrality is dominant. An absence of significant quantities of ion-acoustic oscillations were observed.

Singh, N.↗
NASA NTRS2008

Electrostatic Characterization of Lunar Dust

To ensure the safety and success of future lunar exploration missions, it is important to measure the toxicity of the lunar dust and its electrostatic properties. The electrostatic properties of lunar dust govern its behavior, from how the dust is deposited in an astronaut s lungs to how it contaminates equipment surfaces. NASA has identified the threat caused by lunar dust as one of the top two problems that need to be solved before returning to the Moon. To understand the electrostatic nature of lunar dust, NASA must answer the following questions: (1) how much charge can accumulate on the dust? (2) how long will the charge remain? and (3) can the dust be removed? These questions can be answered by measuring the electrostatic properties of the dust: its volume resistivity, charge decay, charge-to-mass ratio or chargeability, and dielectric properties.

Source record↗
DOE OSTI2025

Online and Offline Data Quality Monitoring for the Mu2e Calorimeter

This thesis presents the design, implementation, and validation of a calorimeter Data Quality Monitoring (DQM) toolchain for the Mu2e experiment at Fermilab. Mu2e searches for charged lepton flavor violation via coherent muon-to-electron conversion in the field of an aluminum nucleus, $\mu^- Al \rightarrow e^-Al$, a process whose observation would constitute clear evidence of physics beyond the Standard Model. Achieving target sensitivity requires stringent control of detector performance and data integrity during acquisition, as subtle issues in readout configuration, data formatting, or electronics behavior can compromise reconstruction and bias downstream analyzes. To address these challenges, this work develops a multi-layer DQM approach spanning both raw data validation and reconstructed digi-level diagnostics. At the low level, a fragment analysis component performs word- and bit-field decoding of calorimeter readout blocks, enabling sanity checks of the expected structure and producing detailed error and integrity statistics useful for commissioning and troubleshooting. At the digi level, the CaloDigiDQM analyzer is implemented within the art framework and transforms each CaloDigiCollection into a structured hierarchy of ROOT histograms designed for fast drill-down diagnostics. The module generates coherent monitoring views at global, disk, board, and channel granularity, including occupancy, waveform-derived features (baseline, RMS, peak amplitude and position), and left-right sensor consistency metrics. Detector-aware channel-to-electronics mapping is performed through the conditions system (CaloDAQMap), ensuring that diagnostics remain aligned with hardware identifiers used in operations. For end-to-end testing without reliance on live DAQ data, a synthetic CaloDigi producer is developed to generate realistic waveforms with controlled noise and pulse shapes. The resulting system supports both offline ROOT-file production and online operation, including optional histogram streaming through otsdaq via ots::HistoSender. This toolchain provides a practical and scalable foundation for calorimeter commissioning and stable data collection, enabling early detection of anomalies and reducing operational risk for Mu2e.

Vakulenko, Mark [Drew U.] (ORCID:0009000276197818)↗
DOE OSTI2020

Enhancement of chemical oscillations by self-generated convective flows

Chemical feedback loops in fluids can produce not only chemical oscillations, but also density variations that generate solutal buoyancy forces, which in turn initiate fluid flow. Using analytical and computational models, we herein examine how the reaction-induced flows alter the chemical oscillations in a fluid-filled chamber whose top and bottom walls are coated with different enzymes. Due to this chemo-fluidic coupling, the systems form oscillating flow patterns, which combine the characteristic size of the buoyancy-driven convection rolls with the frequency of the chemical oscillations. With changes in the distance between the enzyme-coated walls, the convective flows not only enhance or suppress the chemical oscillations, but also substantially increase the amplitude and frequency of the oscillations and extend the regime of the oscillatory behavior. These design principles can facilitate the development of artificial biochemical networks that act as chemical clocks.

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

Reversible Switch in Charge Storage Enabled by Selective Ion Transport in Solid Electrolyte Interphase

Solid-electrolyte interphases (SEIs) in advanced rechargeable batteries ensure reversible electrode reactions at extreme potentials beyond the thermodynamic stability limits of electrolytes by insulating electrons while allowing working ions to transport. Such selective ion transport occurs naturally in biological cell membranes as a ubiquitous prerequisite of many life processes and a foundation of biodiversity. In addition, cell membranes can selectively open and close the ion channels in response to external stimuli (e.g., electrical, chemical, mechanical, thermal), giving rise to “gating” mechanisms that help manage intracellular reactions. We wondered whether the chemistry and structure of SEIs can mimic cell membranes, such that ion gating can be replicated. That is, can SEIs realize a reversible switching between two electrochemical behaviors, i.e., the ion intercalation chemistry of batteries and the ion adsorption of capacitors? Herein, we report such SEIs that result in thermally activated selective ion transport. The function of open/close gate switches is governed by the chemical and structural dynamics of SEIs under different thermal conditions, with precise behaviors as conducting and insulating interphases that enable battery and capacitive processes within a finite temperature window. Such an ion gating function is synergistically contributed by Arrhenius-activated ion transport and SEI dissolution/regrowth. Following the understanding of this new mechanism, we then develop an electrochemical method to heal the SEI layer in situ. As a result, the knowledge acquired in this work reveals the possibility of hitherto unknown biomimetic properties of SEIs, which will guide us to leverage such complexities to design better SEIs for future battery chemistries.

25 ENERGY STORAGE↗
DOE OSTI2023

IrGe 4 : A Predicted Weyl-Metal with a Chiral Crystal Structure

Polycrystalline IrGe4 was synthesized by annealing elements at 800 °C for 240 h, and the composition was confirmed by energy-dispersive X-ray spectroscopy. IrGe 4 adopts a chiral crystal structure (space group P3 1 21) instead of a polar crystal structure (P3 1 ), which was corroborated by the convergent-beam electron diffraction and Rietveld refinements using synchrotron powder X-ray diffraction data. The crystal structure features layers of IrGe 8 polyhedra along the b axis, and the layers are connected by edge- and corner-sharing. Each layer consists of corner-shared [Ir 3 Ge 20 ] trimers, which are formed by three IrGe 8 polyhedra connected by edge-sharing. Temperature-dependent resistivity indicates metallic behavior. The magnetoresistance increases with increasing applied magnetic field, and the nonsaturating magnetoresistance reaches 11.5% at 9 T and 10 K. The Hall resistivity suggests that holes are the majority carrier type, with a carrier concentration of 4.02 × 10 21 cm –3 at 300 K. In conclusion, electronic band structures calculated by density functional theory reveal a Weyl point with a chiral charge of +3 above the Fermi level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effect of Surface Ionic Screening on Polarization Reversal and Phase Diagrams in Thin Antiferroelectric Films for Information and Energy Storage

Emergent behaviors in antiferroelectric thin films due to a coupling between surface electrochemistry and intrinsic polar instabilities are explored within the framework of the modified 2-4-6 Landau-Ginzburg-Devonshire (LGD) thermodynamic approach. By using phenomenological parameters of the LGD potential for a bulk antiferroelectric and a Stephenson-Highland (SH) approach, we study the role of surface ions with a charge density proportional to the relative partial oxygen pressure on the dipole states and their reversal mechanisms in antiferroelectric thin films. The combined LGDSH approach allows the boundaries of antiferroelectric, ferroelectriclike antiferroionic, and electretlike paraelectric states as a function of temperature, oxygen pressure, surface-ion formation energy and concentration, and film thickness to be delineated. This approach also allows the characterization of the polar and antipolar orderings dependence on the voltage applied to the antiferroelectric film, as well as the analysis of their static and dynamic hysteresis loops. Furthermore, the applications of the antiferroelectric films covered with a surface-ion layer for energy and information storage are explored and discussed.

25 ENERGY STORAGE↗
DOE OSTI2025

Thermodynamics of continuous spin photons

Special relativity allows massless particles to have states of different integer (or half-integer) helicities that mix under boosts, much like the spin states of a massive particle. Such massless particles are known as “continuous spin” particles (CSPs), a term coined by Wigner, and they are notable for their infinite tower of spin polarizations. The mixing under boosts is controlled by a spin scale 𝜌 with units of momentum. Normally, we assume 𝜌 = 0. The interactions of CSPs are known to satisfy certain simple properties, one of which is that the 𝜌 → 0 limit generically recovers familiar interactions of massless scalars, photons, or gravitons, with all other polarizations decoupling in this limit. Thus, one can ask if the photon of the Standard Model is a CSP at small but nonzero 𝜌. One concern about this possibility—originally raised by Wigner—is that the infinite tower of polarizations could pose problems for thermodynamics. To address this question, we study the thermal evolution of a CSP photon gas coupled to isothermal matter, across CSP helicity modes and phase space. We find that the structure of the interactions dictated by Lorentz symmetry implies well-behaved thermodynamics. When the CSP photon’s interactions with charged matter are turned on, the primary ℎ =±1 helicity modes thermalize quickly, while the other modes require increasingly long time scales to thermalize, set by powers of 𝑇/𝜌. In familiar thermal systems, the CSP photon behaves like the QED photon with small 𝜌- and time-dependent corrections to its effective relativistic degrees of freedom. Sizable departures from familiar thermal behavior arise at energy scales comparable to 𝜌 and could have testable experimental consequences.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Oscillate and renormalize: Fast phonons reshape the Kondo effect in flat-band systems

Here, we examine the interplay between electron correlations and phonons in an Anderson-Holstein impurity model with an Einstein phonon. When the phonons are slow compared to charge fluctuations (frequency 𝜔 0 ≪ 𝑈/2, the onsite Coulomb scale 𝑈/2), we demonstrate analytically that the expected phonon-mediated reduction of interactions is completely suppressed, even in the strong-coupling regime. This suppression arises from the oscillator's inability to respond to rapid charge fluctuations, manifested as a compensation effect between the polaronic cloud and the excited-state phonons associated with valence fluctuations. We identify a frozen mixed valence phase, above a threshold dimensionless electron-phonon coupling 𝛼* when the phonons are slow, where the static phonon cloud locks the impurity into specific valence configurations, potentially explaining the puzzling coexistence of mixed valence behavior and insulating properties in materials like rust. Conversely, when the phonon is fast (𝜔 0 ≳ 𝑈/2), the system exhibits conventional polaronic behavior with renormalized onsite interactions effectively 𝑈 eff due to phonon-mediated attraction, with additional satellite features in the local spectral function due to phonon excitations. Using numerical renormalization group calculations, a fully dynamic renormalization technique, we confirm these behaviors in both regimes. These findings have important implications for strongly correlated systems where phonon energy scales may be comparable to the Coulomb scale, such as in twisted bilayer graphene, necessitating careful consideration of interaction renormalizations in theoretical models.

Anderson impurity model↗
DOE OSTI2024

Manufacturing Cathodes via Dry-Processing for Lithium-Ion Batteries

Conventional lithium-ion battery (LIB) electrodes are prepared through a wet slurry process with n-methyl pyrrolidone solvent, especially for cathodes. The wet slurry process encounters several disadvantages such as binder migration, electrode cracking in thick electrodes, energy intense heat-dry NMP solvent removal, and costly NMP recovery. The cost and energy consumption of coating and drying of electrode are about 11.5 % and > 46 % in LIB manufacturing, respectively. Thereby, it is essential to develop a facile roll-to-roll solvent-free LIB electrode processing for reducing the cost and energy consumption. Recently, the Maxwell-type dry processing (DP) shines new lights on LIB manufacturing, which mainly bases on dry mixing (DM) of electrode component powder followed by calendering into electrode films and laminating onto current collectors, realizing the rapid manufacturing of LIB electrodes in a powder-to-film manner for industries. This report shares some recent progress on the DP from our group. We aim to further advance the manufacturing science of DP by correlating the processing conditions with electrode properties and performance. Particularly, we investigate the effect of DM, and compression on the polytetrafluoroethylene (PTFE) binder fiberization, porosity, mechanical properties, electrical conductivity and electrochemical behaviors of electrodes. The DM study suggests that PTFE fiberization heavily relies on the degree of DM. Insufficient DM results in poor PTFE fiberization while outrageous DM damages the formed PTFE fibers. Both negatively affect the mechanical behaviors of the electrodes and their rate capability. However, moderate DM is highly beneficial. In addition, our study of the porosity impact reveals that LiNi0.8Mn0.1Co0.1O2 (NMC) secondary particles can be broken into primary particles due to compression, especially at low porosity. Those fractured NMC secondary particles exhibit lower modulus. We propose that a moderate porosity of around 32% favors the electronic conductivity, charge transfer impedance and rate capability. The study of the cathodic electrolyte interphase layer of PTFE-based DPed electrode confirms that side reactions of PTFE binder due to the formation of LiF in LiClO4-based electrolyte.

Tao, Runming↗
NASA NTRS1976

Time dispersion of energetic solar particles, unexpected velocity and species dependence

The intensity-time behavior for protons and helium, as well as for carbon, oxygen and iron ions was measured following the 1974 September 19 solar flare for energies between 0.5 and approximately 5 MeV per nucleon. The profiles displayed a time dispersion which is inversely proportional to velocity for each individual species. In addition, at a given velocity the time dispersion also depended on the charge to mass ratio of the ion. Based on this latter dependence, it was concluded that while carbon and oxygen are essentially fully stripped, iron nuclei are not, having an effective charge Q = 10 + or - 5. The observed dispersion cannot be explained by purely rigidity dependent diffusive propagation.

Gallagher, J. J.↗
NASA NTRS1982

An electrochemical study of Ni/2+/, Co/2+/, and Zn/2+/ ions in melts of composition CaMgSi2O6

Results are reported for a study of the behavior of Ni(2+), Co(2+), and Zn(2+) in molten diopside, determined by cyclic voltametry, as a first step in adapting electrochemical methods for use in experimental geochemistry. The techniques used are described, the theory is briefly discussed, and it is demonstrated that Ni(2+), Co(2+), and Zn(2+) can be reduced, then reoxidized in an uncomplicated case of reversible charge transfer at the Pt electrode. This implies that the neutral metal atoms remain undissolved in the melt. The kinetics of the reduction process, the effects of concentration, the standard reduction potentials, and the diffusion coefficients are discussed in detail. The observations are consistent with the mechanism of Ni(2+) diffusion by transport from site to site. As the proportion of SiO2 in the melt increases, a higher activation energy is required for Ni(2+) to move, and the rate of diffusion is lowered.

Semkow, K. W.↗
NASA NTRS1992

Homogeneous quantum electrodynamic turbulence

The electromagnetic field equations and Dirac equations for oppositely charged wave functions are numerically time-integrated using a spatial Fourier method. The numerical approach used, a spectral transform technique, is based on a continuum representation of physical space. The coupled classical field equations contain a dimensionless parameter which sets the strength of the nonlinear interaction (as the parameter increases, interaction volume decreases). For a parameter value of unity, highly nonlinear behavior in the time-evolution of an individual wave function, analogous to ideal fluid turbulence, is observed. In the truncated Fourier representation which is numerically implemented here, the quantum turbulence is homogeneous but anisotropic and manifests itself in the nonlinear evolution of equilibrium modal spatial spectra for the probability density of each particle and also for the electromagnetic energy density. The results show that nonlinearly interacting fermionic wave functions quickly approach a multi-mode, dynamic equilibrium state, and that this state can be determined by numerical means.

Shebalin, John V.↗