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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Direct observation of electron emission from the grain boundaries of chemical vapour deposition diamond films by tunneling atomic force microscopy

The emission of electrons from diamond in vacuum occurs readily as a result of the negative electron affinity of the hydrogenated surface due to features with nanoscale dimensions, which can concentrate electric fields high enough to induce electron emission from them. Electrons can be emitted as a result of an applied electric field (field emission) with possible uses in displays or cold-cathode devices. Alternatively, electrons can be emitted simply by heating the diamond in vacuum to temperatures as low as 350 °C (thermionic emission), and this may find applications in solar energy generation or energy harvesting devices. Electron emission studies usually use doped polycrystalline diamond films deposited onto Si or metallic substrates by chemical vapor deposition, and these films have a rough, faceted morphology on the micron or nanometer scale. Electron emission is often improved by patterning the diamond surface into sharp points or needles, the idea being that the field lines concentrate at the points lowering the barrier for electron emission. However, there is little direct evidence that electrons are emitted from these sharp tips. The few reports in the literature that have studied the emission sites suggested that emission came from the grain boundaries and not the protruding regions. We now present direct observation of the emission sites over a large area of polycrystalline diamond using tunneling atomic force microscopy. We confirm that the emission current comes mostly from the grain boundaries, which is consistent with a model for emission in which the non-diamond phase is the source of electrons with a threshold that is determined by the surrounding hydrogenated diamond surface.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Light flavor-singlet scalars and walking signals in N f = 8 QCD on the lattice

Based on the highly improved staggered quark action, we perform in this paper lattice simulations of N f = 8 QCD and confirm our previous observations, both of a flavor-singlet scalar meson (denoted as σ) as light as the pion and of various “walking signals” through the low-lying spectra, with higher statistics, smaller fermion masses m f , and larger volumes. We measure M π , F π , M ρ , M a 0 , M a 1 , M b 1 , M N , M σ , F σ , (φφ) (both directly and through the Gell-Mann-Oakes-Renner relation), and the string tension. The data are consistent with the spontaneously broken phase of the chiral symmetry, in agreement with the previous results: Ratios of the quantities to M π monotonically increase in the smaller m f region towards the chiral limit similarly to N f = 4 QCD, in sharp contrast to N f = 12 QCD where the ratios become flattened. We perform fits to chiral perturbation theory, with the value of F π found in the chiral limit extrapolation reduced dramatically to roughly 2/3 of the previous result, suggesting the theory is much closer to the conformal window. In fact, each quantity obeys the respective hyperscaling relation throughout a more extensive m f region compared with earlier works. The hyperscaling relation holds with roughly a universal value of the anomalous dimension, γ m ≃ 1, with the notable exception of M π with γ m ≃ 0.6 as in the previous results, which reflects the above growing up of the ratios towards the chiral limit. This is a salient feature (walking signal) of N f = 8, unlike either N f = 4, which has no hyperscaling relation at all, or N f = 12 QCD, which exhibits universal hyperscaling. The effective γ m Ξ γ m (m f ) of M π defined for each m f region has a tendency to grow towards unity near the chiral limit, in conformity with the Nambu-Goldstone boson nature, as opposed to the case of N f = 12 QCD where it is almost constant. We further confirm the previous observation of the light σ with mass comparable to the pion in the studied m f region. In a chiral limit extrapolation of the σ mass using the dilaton chiral perturbation theory and also using the simple linear fit, we find the value consistent with the 125 GeV Higgs boson within errors. Finally, our results suggest that the theory could be a good candidate for walking technicolor model, having anomalous dimension γ m ≃ 1 and a light flavor-singlet scalar meson as a technidilaton, which can be identified with the 125 GeV composite Higgs in the N f = 8 one-family model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Systematics of the chemical freeze-out line in the high baryon density regime explored at SIS100

The systematic uncertainties of chemical freeze-out fits at SIS100 energies (Au+Au reactions at $\sqrt{s_{NN}}$ = 3 – 5 GeV) are studied using UrQMD simulations. Although hadron production in UrQMD does not occur on a sharp chemical freeze-out hyper-surface, the extracted fit quality is shown to be very good. The extracted chemical parameters depend on the selected hadron species as well as the underlying equation of state (EoS) of the matter. Including light nuclei and anti-protons in the fit increases the expected freeze-out temperature, while a stiffer EoS increases the obtained chemical potential. Similarly, the baryon densities extracted by the thermal fits depend on the choice of hadrons as well as the underlying equation of state. These results are important for the upcoming CBM@FAIR physics program and highlight that a degree of caution is advised when one relates the chemical freeze-out curve to features on the QCD phase diagram like the critical endpoint or a possible phase transition.

Hofmann, Emma Lilith [GSI Helmholtzzentrum für Sch↗
DOE OSTI2023

Meshfree Multiphysics Damage Modeling of Li-ion Battery Materials

Through repeated charging and discharging cycles, the electrodes of a Li-ion battery experience significant swelling and contraction due to the movement of lithium, also known as intercalation. This research focuses specifically on the chemo-mechanical cracking in the cathode. Because cathode particles are comprised of many randomly-oriented grains, which have highly anisotropic material properties, the expansion and contraction is very non-uniform. As a result, stress concentrations tend to form between grains, which necessitates the modeling of crack propagation largely along grain boundaries and material interfaces. Chemo-mechanical damage models are generally simulated by one of two methods: the cohesive zone model (CZM) and the continuous damage model (CDM). The CZM is more accurate at capturing the sharp discontinuities of a crack but is very computationally expensive and intractable for large-scale models as a result. Conversely, the CDM is easily computed but not well-suited to easily allow for discontinuous field variables, which are inherent across a crack. This study aims to improve the CDM's ability to capture discontinuous cracks. Current versions of the CDM use the finite element method (FEM), which is one of the most widely used approaches for spatial discretization. This research investigates the use of the Reproducing Kernel Particle Method (RKPM), a meshfree method, for spatial discretization and aims to achieve a coupled chemo-mechanical crack propagation model that enhances accuracy while maintaining high computational efficiency. This model features a fully coupled, iterative electrochemistry solution, which informs the meshfree damage model of impending crack formation. To gain a better understanding of how the meshfree model compares to the current FEM model in capturing cathode crack propagation, further investigation is needed.

damage modeling↗
DOE OSTI2016

Explaining dark matter and B decay anomalies with an L μ - L τ model

We present a dark sector model based on gauging the L μ - L τ symmetry that addresses anomalies in b→ sμ + μ - decays and that features a particle dark matter candidate. The dark matter particle candidate is a vector-like Dirac fermion coupled to the Z' gauge boson of the L μ - L τ symmetry. We compute the dark matter thermal relic density, its pair-annihilation cross section, and the loop-suppressed dark matter-nucleon scattering cross section, and compare our predictions with current and future experimental results. We demonstrate that after taking into account bounds from Bs meson oscillations, dark matter direct detection, and the CMB, the model is highly predictive: B physics anomalies and a viable particle dark matter candidate, with a mass of ~ (5 - 23) GeV, can be accommodated only in a tightly-constrained region of parameter space, with sharp predictions for future experimental tests. The viable region of parameter space expands if the dark matter is allowed to have L μ - L τ charges that are smaller than those of the SM leptons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Structural Changes in Vitreous GeSe4 under Pressure

High-energy X-ray diffraction experiments have been performed on GeSe{sub 4} glass up to pressures of 8.6 GPa, and the equation of state has been measured up to 10 GPa. The X-ray structure factors reveal a decrease in the first sharp diffraction peak intensity and broadening with pressure, which signifies a break-up of the intermediate range order in the glass. In contrast, the principal peak in the structure factor shows an increase in intensity and a sharpening with pressure, which is attributed to an increase in extended range order and coherence of the compacted units. The average nearest neighbor coordination number is found to remain constant in GeSe{sub 4} glass (within experimental error) over the pressure range measured. This is in contrast with the gradual increase found in GeSe{sub 2} glass. Rather, in GeSe{sub 4} glass the densification mechanism is shown to be associated with large inward shifts of the second neighbor and higher coordination shells. These features appear as additional correlations at 3.3 and 5.3 {angstrom} in the differences taken between adjacent pair distribution functions with increasing pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Housedon-Hill - A ChemCam/RMI mega mosaic to investigate distant features

The ChemCam Remote Microscopic Imager (RMI) onboard Curiosity was originally designed to document the tiny areas analyzed by ChemCam’s laser-induced breakdown spectroscopy (LIBS) technique on rocks at few meters distance around the rover. The RMI produces 1024 x 1024 pixel black and white images directly from ChemCam’s telescope focal plane. Early in the mission, it was recognized that, thanks to its powerful optics, RMI could also play a role as a long-distance reconnaissance tool, complementing other cameras on the remote sensing mast, and taking advantage of its very long 700 mm focal length. Imaging areas several kilometers from the rover provides pictures that are very complementary to orbital observations and gives a more human-like, ground-based perspective. Between sols 2878 and 2921, Curiosity stayed parked at the same place to perform various rock sampling analyses. This opportunity was used to target very distant areas of interest, daily building an RMI mosaic of 216 overlapping images covering an area ranging from the bottom layers of Mount Sharp to the edge of Vera Rubin Ridge. This product is so far the largest RMI mosaic acquired during the entire mission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Nanoscale temperature mapping in operating microelectronic devices

We report that modern microelectronic devices have nanoscale features that dissipate power nonuniformly, but fundamental physical limits frustrate efforts to detect the resulting temperature gradients. Contact thermometers disturb the temperature of a small system, while radiation thermometers struggle to beat the diffraction limit. Exploiting the same physics as Fahrenheit’s glass-bulb thermometer, we mapped the thermal expansion of Joule-heated, 80-nanometer-thick aluminum wires by precisely measuring changes in density. With a scanning transmission electron microscope (STEM) and electron energy loss spectroscopy (EELS), we quantified the local density via the energy of aluminum’s bulk plasmon. Rescaling density to temperature yields maps with a statistical precision of 3 kelvin/hertz ₋1/2 , an accuracy of 10%, and nanometer-scale resolution. Lastly, many common metals and semiconductors have sufficiently sharp plasmon resonances to serve as their own thermometers.

47 OTHER INSTRUMENTATION↗
DOE OSTI2013

Sharp Interface Tracking in Rotating Microflows of Solvent Extraction

The objective of this project is to develop a specialized sharp interface tracking simulation capability for predicting interaction of micron-sized drops and bubbles in rotating flows relevant to optimized design of contactor devices used in solvent extraction processes of spent nuclear fuel reprocessing. The primary outcomes of this project include the capability to resolve drops and bubbles micro-hydrodynamics in solvent extraction contactors, determining from first principles continuum fluid mechanics how micro-drops and bubbles interact with each other and the surrounding shearing fluid for realistic flows. In the near term, this effort will play a central role in providing parameters and insight into the flow dynamics of models that average over coarser scales, say at the millimeter unit length. In the longer term, it will prove to be the platform to conduct full-device, detailed simulations as parallel computing power reaches the exaflop level. The team will develop an accurate simulation tool for flows containing interacting droplets and bubbles with sharp interfaces under conditions that mimic those found in realistic contactor operations. The main objective is to create an off-line simulation capability to model drop and bubble interactions in a domain representative of the averaged length scale. The technical approach is to combine robust interface tracking software, subgrid modeling, validation quality experiments, powerful computational hardware, and a team with simulation modeling, physical modeling and technology integration experience. Simulations will then fully resolve the microflow of drops and bubbles at the microsecond time scale. This approach is computationally intensive but very accurate in treating important coupled physical phenomena in the vicinity of interfaces. The method makes it possible to resolve spatial scales smaller than the typical distance between bubbles and to model some non-equilibrium thermodynamic features such as finite critical tension in cavitating liquids

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Quantum criticality and topology in non-equilibrium systems

A key goal of condensed matter physics research is to identify new phases of matter, and to understand the universal features of the phase transitions between them. In the past decade, physicists have uncovered a wealth of new phases with interesting surface properties, exemplified by the theoretical prediction and subsequent experimental discovery of topological insulators and superconductors. Traditional condensed matter systems are usually in a thermal equilibrium state and typically at very low temperature. Very recently, experimental advances have sparked interest in the non-equilibrium setting. Non-equilibrium systems can host new phases and phenomena with no equilibrium counterpart, and could also enable robust ways to build quantum memory devices to store and manipulate quantum information in a coherent manner. These phases and phenomena are inherently “dynamical”: they are described not by changes in the arrangement or structure of the constituent particles, but instead marked by sharp distinctions in how the particles move and exchange energy or quantum information. The discovery of robust non-equilibrium phases raises many fundamental questions: Can we develop a systematic theory of states of matter and of dynamical transitions between such states? How can such states be realized and probed experimentally? The main goal of this project was to explore the emergence of topological phases and quantum criticality (two cornerstones of modern condensed matter physics in equilibrium) in such non-equilibrium quantum systems. Specific goals included (1) using tensor networks to efficiently represent non-equilibrium states of matter and their phase transitions; (2) studying and designing new probes for periodically driven systems; and (3) developing analytic and numerical tools to analyze non-equilibrium topological phase transitions. Advances in these directions were achieved using novel techniques appropriate to study the non-equilibrium dynamics in many-body quantum systems combining strong interactions and randomness. Taken together, these results provide a new conceptual framework for understanding the emergence of quantum critical and topological properties in quantum systems far from thermal equilibrium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Dynamic fingerprint of fractionalized excitations in single-crystalline Cu3Zn(OH)6FBr

Abstract Beyond the absence of long-range magnetic orders, the most prominent feature of the elusive quantum spin liquid (QSL) state is the existence of fractionalized spin excitations, i.e., spinons. When the system orders, the spin-wave excitation appears as the bound state of the spinon-antispinon pair. Although scarcely reported, a direct comparison between similar compounds illustrates the evolution from spinon to magnon. Here, we perform the Raman scattering on single crystals of two quantum kagome antiferromagnets, of which one is the kagome QSL candidate Cu 3 Zn(OH) 6 FBr, and another is an antiferromagnetically ordered compound EuCu 3 (OH) 6 Cl 3 . In Cu 3 Zn(OH) 6 FBr, we identify a unique one spinon-antispinon pair component in the E 2g magnetic Raman continuum, providing strong evidence for deconfined spinon excitations. In contrast, a sharp magnon peak emerges from the one-pair spinon continuum in the E g magnetic Raman response once EuCu 3 (OH) 6 Cl 3 undergoes the antiferromagnetic order transition. From the comparative Raman studies, we can regard the magnon mode as the spinon-antispinon bound state, and the spinon confinement drives the magnetic ordering.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Asymptotic vacuum solution at tokamak X-point tip

In the H-mode regime of diverted tokamaks, the presence of strong pressure gradients in the pedestal gives rise to a sizable bootstrap current, together with the Ohmic and Pfirsch–Schlueter currents, close to the separatrix. For such equilibria, the presence of finite current density close to the separatrix requires the reexamination of equilibrium properties. It is almost universally assumed that the two branches of the separatrix (the stable and unstable manifolds) are straight as they cross at the X-point. However, the opposite angles of the plasma-filled segment and vacuum one cannot be equal if the current density does not vanish at the separatrix on the plasma side. We solve this difficulty by chipping off a thin layer of plasma edge so that the sharp corner of the plasma-filled segment becomes a hyperbola. Using the conformal transformation, we found that in the assumption of a hyperbolic boundary, the X point moves beyond the plasma boundary to fall in the vacuum region. An acute angle of the plasma-filled segment leads to an obtuse opposite angle of vacuum segment and vice versa. In the case of an acute angle of the plasma-filled segment, the new X point shifts inside the X point formed by the asymptotes of a hyperbolic boundary; in the case of an obtuse angle of the plasma-filled segment, the new X point shifts outside the X point formed by the asymptotes of a hyperbolic plasma boundary. Furthermore, the results are important for understanding the X point features, which affect the tokamak edge stability and transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Don't cross the streams: caustics from fuzzy dark matter

Here we study how tidal streams from globular clusters may be used to constrain the mass of ultra-light dark matter particles, called `fuzzy' dark matter (FDM). A general feature of FDM models is the presence of ubiquitous density fluctuations in bound, virialized dark matter structures, on the scale of the de Broglie wavelength, arising from wave interference in the evolving dark matter distribution. These time-varying fluctuations can disturb the motions of stars, leading to potentially observable signatures in cold thin tidal streams in our own Galaxy. The study of this effect has been hindered by the difficulty in simulating the FDM wavefunction in Milky Way-sized systems. We present a simple method to evolve realistic wavefunctions in nearly static potentials, that should provide an accurate estimate of this granulation effect. We quantify the impact of FDM perturbations on tidal streams, and show that initially, while stream perturbations are small in amplitude, their power spectra exhibit a sharp cutoff corresponding to the de Broglie wavelength of the FDM potential fluctuations. Eventually, when stream perturbations become nonlinear, fold caustics generically arise that lead to density fluctuations with universal behavior. This erases the signature of the de Broglie wavelength in the stream density power spectrum, but we show that it will still be possible to determine the FDM mass in this regime, by considering the fluctuations in quantities like angular momenta or actions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A Simplified Approach Based on Cellular Automata for Describing Direct Reduced Iron Production in Different Reducing Conditions

A quick computation approach based on cellular automata is developed and implemented to describe the reduction of iron ore pellets by a mixture of reducing agents featured by different H 2 /CO ratios. The evolution of oxygen concentration inside the pellet is followed from the beginning to the end of contact between reducing agent and pellet. The variation of thermal state of pellets and gas mixture is computed based on their initial temperature, considering the heat involved and the convective heat exchange between pellet and gas mixture. The use of cellular automata and finite‐difference method to solve the diffusion equation point out the absence of any diffusion coefficient value, allowing to make the model fit the experimental trial, because the problem is that it is not ruled just by diffusion but also by the concentration variation of reducing agent inside the pellet due to porosity increasing during reduction. The updating of the reducing agents concentration implies a sharp decrease of oxygen concentration that the cellular automata model considers. The developed model is able to provide the in‐line control of reduction process and could be used to adjust the chemical concentration and temperature of injected reducing agents.

Metallurgy & Metallurgical Engineering↗
DOE OSTI2014

The positron excess as a smoking gun for dynamical dark matter?

One of the most puzzling aspects of recent data from the AMS-02 experiment is an apparent rise in the cosmic-ray positron fraction as a function of energy. This feature is observed out to energies of approximately 350 GeV. One explanation of these results interprets the extra positrons as arising from the decays of dark-matter particles. This in turn typically requires that such particles have rather heavy TeV-scale masses and not undergo simple two-body decays to leptons. In this talk, by contrast, we show that Dynamical Dark Matter (DDM) can not only match existing AMS-02 data on the positron excess, but also accomplish this feat with significantly lighter dark-matter constituents undergoing simple two-body decays to leptons. We also demonstrate that the Dynamical Dark Matter framework makes a fairly robust prediction that the positron fraction should level off and then remain roughly constant out to approximately 1 TeV, without experiencing any sharp downturns. Thus, if we interpret the positron excess in terms of decaying dark matter, the existence of a plateau in the positron fraction at energies less than 1 TeV may be taken as a “smoking gun” of Dynamical Dark Matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Expansion of Machine-Learning Method for Classifying Neutron Resonances

The understanding of astrophysics processes and the performance of nuclear reactors and other nuclear systems depend on a precise description of the neutron interaction cross sections for materials and nuclei present in these environments. At low neutron energies, these cross sections exhibit resonance structure represented by sharp enhancements when the neutron energy is sufficiently close to excited levels in a compound nucleus. Such resonances can be characterized by their quantum numbers relative to angular momenta, which are often deduced in an ad hoc and irreproducible manner from the shape of the cross sections. The correct assignment of the quantum numbers of neutron resonances is therefore of paramount importance. To address this we have developed a machine-learning method to automate the identification and correction of these spin assignments. The algorithm is trained from simulated data, generated from statistical properties of resonance data for a given nucleus, to mimic the errors found in real data. In this project we describe five independent approaches to further develop and expand the applicability of the machine-learning spin classifier: i) Feature impact; ii) Integration with the Atlas; iii) Training optimization; iv) Spacings systematics; and v) Validation with polarized data. The premises, methods, results, and future perspectives are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Observed and Bin Model Simulated Evolution of Drop Size Distributions in High-Based Cumulus Congestus Over the United Arab Emirates

This study examines microphysical processes in developing high-based cumulus congestus over the United Arab Emirates using aircraft observations and a large-eddy-simulation model with bin microphysics. A notable feature of this case is the lack of mm-sized drops despite having a liquid cloud layer >3.5 km deep, contrasting with copious large drops observed in maritime tropical cumulus congestus having a similar vertical extent. Modeled drop size distributions are similar to observations at various temperatures between 9.5 and –12°C, including the lack of mm-sized drops. Cloud dilution leads to low-to-moderate liquid water contents (~0.5–1.5 g m –3 ) in most of the cloud core, several times smaller than adiabatic values. Dilution is enhanced in the inflowing branch of the toroidal circulations associated with individual cloud thermals, which are favored regions for secondary droplet activation (activation above cloud base). Secondary activation in general contributes substantially to the droplet population. Turning it off leads to a sharp decrease in droplet concentration and increase in mean size aloft, but does little to increase rain drop production. Warm rain generation (or lack thereof) in this case is therefore determined more by the sub-cloud aerosol and the cloud base droplet size distribution (DSD) than DSD evolution aloft from secondary droplet activation. Decreasing the aerosol concentration by a factor of 10 greatly increases production of large drops via collision-coalescence. Thus, despite its high base (low temperatures) and substantial dilution, the simulated cloud is thermodynamically and dynamically capable of rapidly producing copious mm-sized drops from collision-coalescence under pristine aerosol conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Anharmonic phonons, thermal expansion, and nuclear quantum effects in Zn

The anharmonic behavior of phonons and thermal expansion of hexagonal zinc were studied from 15 to 690 K by inelastic neutron scattering (INS) and ab initio simulations. Phonon spectra were measured for Q-points covering the full Brillouin zone, giving the phonon density of states (DOS) and dispersions along high-symmetry directions. The dispersions were sharp at 15 K, but diffuse intensity was observed at energies above them. The dispersions broadened with temperature T and the diffuse intensity became stronger. This diffuse intensity appeared in all INS measurements and simulations, except for classical molecular dynamics at 15 K. The temperature-dependent effective potential (TDEP) method, which included the nuclear quantum effect from zero-point vibrational dynamics, was used to calculate the free energy and thermal expansion. For T < 100 K nuclear quantum effects were important for obtaining the correct negative thermal expansion, and path integral molecular dynamics (PIMD) was particularly effective for obtaining the negative thermal expansion in the basal plane. A Heisenberg-Langevin model for interacting phonons coupled to a thermal bath was able to reproduce the shape and intensity of the diffuse spectral features.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗