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Oceanographic and meteorological research on sea/air interactions over tropical ocean surface
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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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Tracer exchange between tropics and middle latitudes
The interaction between the tropics and middle latitudes is studied using a tracer emitted at 50 hPa along a great circle route between Los Angeles, USA and Sydney, Australia. Though designed to examine the impact of stratospheric aircraft, the study more generally addresses the transport between tropics and middle latitudes for a three month period from January through March 1989. The results show that air is transported from the tropics to middle latitudes by planetary scale and tropospheric cyclonic scale waves. Except for intrusions by these wave events, the tropics are substantially isolated throughout the lower stratosphere. These waves draw material out of the tropics which ends up in the middle latitude westerly jets, with little material entering the winter polar latitudes prior to the springtime transition. The summer Southern Hemisphere is characterized by tracer being drawn out in streamers that extend from north and west to south and east. The material in the tropics is zonally asymmetric. The material that reaches the troposphere comes down in the synoptic scale eddies and is concentrated in the middle latitude jet stream. These characteristics are similar to those observed during the dispersion of volcanic clouds.
Rood, Richard↗
Integrating continuous atmospheric boundary layer and tower-based flux measurements to advance understanding of land-atmosphere interactions
The atmospheric boundary layer mediates the exchange of energy, matter, and momentum between the land surface and the free troposphere, integrating a range of physical, chemical, and biological processes and is defined as the lowest layer of the atmosphere (ranging from a few meters to 3 km). In this review, we investigate how continuous, automated observations of the atmospheric boundary layer can enhance the scientific value of co-located eddy covariance measurements of land-atmosphere fluxes of carbon, water, and energy, as are being made at FLUXNET sites worldwide. We highlight four key opportunities to integrate tower-based flux measurements with continuous, long-term atmospheric boundary layer measurements: (1) to interpret surface flux and atmospheric boundary layer exchange dynamics and feedbacks at flux tower sites, (2) to support flux footprint modelling, the interpretation of surface fluxes in heterogeneous and mountainous terrain, and quality control of eddy covariance flux measurements, (3) to support regional-scale modeling and upscaling of surface fluxes to continental scales, and (4) to quantify land-atmosphere coupling and validate its representation in Earth system models. Adding a suite of atmospheric boundary layer measurements to eddy covariance flux tower sites, and supporting the sharing of these data to tower networks, would allow the Earth science community to address new emerging research questions, better interpret ongoing flux tower measurements, and would present novel opportunities for collaborations between FLUXNET scientists and atmospheric and remote sensing scientists.
Manuel Helbig↗
Cosmological constraints on dark matter interactions with ordinary matter
Dark matter interactions with electrons or protons during the early Universe leave imprints on the cosmic microwave background and the matter power spectrum, and can be probed through cosmological and astrophysical observations. These interactions lead to momentum and heat exchange between the ordinary and dark matter components, which in turn results in a transfer of pressure from the ordinary to the dark matter. We explore these interactions using a diverse suite of data: cosmic microwave background anisotropies, baryon acoustic oscillations, the Lyman-α forest, and the abundance of Milky-Way subhalos. We derive constraints using model-independent parameterizations of the dark matter–electron and dark matter–proton interaction cross sections and map these constraints onto concrete dark matter models. Our constraints are complementary to other probes of dark matter interactions with ordinary matter, such as direct detection, big bang nucleosynthesis, various astrophysical systems, and accelerator based experiments. They exclude sufficiently large cross sections for a large range of dark matter masses, which cannot be accessed by direct-detection experiments due to the overburden from the Earth’s atmosphere or crust.
Manuel A. Buen-Abad↗
Dynamical model of φ meson photoproduction on the nucleon and 4 He
We investigate φ meson photoproduction on the nucleon and the 4 He targets within a dynamical model approach based on a Hamiltonian which describes the production mechanisms by the Pomeron-exchange, meson-exchanges, φ radiations, and nucleon resonance excitations mechanisms. The final φN interactions are included being described by the gluon-exchange, direct φN couplings, and the box-diagrams arising from the couplings with πN, ρN, KΛ, and KΣ channels. The parameters of the Hamiltonian are determined by the experimental data of γp → φp from the CLAS Collaboration. The resulting Hamiltonian is then used to predict the coherent φ-meson production on the 4 He targets by using the distorted-wave impulse approximation. For the proton target, the final φN rescattering effects, as required by the unitarity condition, are found to be very weak, which supports the earlier calculations in the literature. For the 4 He targets, the predicted differential cross sections are in good agreement with the data obtained by the LEPS Collaboration. Furthermore, the role of each mechanism in this reaction is discussed and predictions for a wide range of scattering angles are presented, which can be tested in future experiments.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Hyporheic Exchange Driven by Submerged Rigid Vegetation: A Modeling Study
Flow-vegetation interaction affects fluid flow hydraulics and associated material transport in river corridors. Concomitant changes in pressure within the flow field due to the presence of vegetation may act as a driver for the formation of hyporheic flow across the sediment-water interface. This potentially important process, however, has yet to be studied. In order to investigate vegetation-induced hyporheic exchange, a series of numerical models of interlinked surface-subsurface flow modified by plant stems was conducted. Periodically staggered plant stem arrays on a flat sediment bed were considered within a coupled multiphysics computational fluid dynamics approach. Plants were idealized as rigid cylinders and arranged in different streamwise and spanwise spacing distances. Each vegetation array was then subjected to a broad range of flow Reynolds Numbers (Re). The results showed that hyporheic flow occurs in all conditions with the presence of vegetation. The vegetation-induced hyporheic flux is found to be a function of Re via a power law. The flux increases with interstem space until the space reaches the distance that rigid stems no longer affect the flow structures in the vicinity of each other. Larger intervegetation distances lead to a larger hyporheic zone. A direct comparison with bedforminduced hyporheic flow showed that vegetation can induce higher hyporheic flux through relatively shallower exchange zones. The results of all the simulations were synthesized into predictive models for hyporheic flux, bulk residence time and exchange depth based on drag coefficient, vegetation density, and Reynolds Number.
54 ENVIRONMENTAL SCIENCES↗
Cosmological constraints on dark matter interactions with ordinary matter
Dark matter interactions with electrons or protons during the early Universe leave imprints on the cosmic microwave background and the matter power spectrum, and can be probed through cosmological and astrophysical observations. These interactions lead to momentum and heat exchange between the ordinary and dark matter components, which in turn results in a transfer of pressure from the ordinary to the dark matter. Here, we explore these interactions using a diverse suite of data: cosmic microwave background anisotropies, baryon acoustic oscillations, the Lyman-α forest, and the abundance of Milky-Way subhalos. We derive constraints using model-independent parameterizations of the dark matter–electron and dark matter–proton interaction cross sections and map these constraints onto concrete dark matter models. Our constraints are complementary to other probes of dark matter interactions with ordinary matter, such as direct detection, big bang nucleosynthesis, various astrophysical systems, and accelerator-based experiments. They exclude sufficiently large cross sections for a large range of dark matter masses, which cannot be accessed by direct-detection experiments due to the overburden from the Earth’s atmosphere or crust.
79 ASTRONOMY AND ASTROPHYSICS↗
Renewal: Coherent control of spin states in organic electronics – discovery and investigation of complex room-temperature magnetic quantum excitations
In the course of four funding cycles of this project, its research focused on the exploration and understanding of spin-dependent electronic processes in organic semiconductors. It aimed to investigate the potential of harnessing the spin degree of freedom in organic materials for various applications such as spin electronics, quantum information, sensors, and as well as quantum coherent spin phenomena of charge carrier states in organic semiconductors, with the aim to develop room-temperature-based quantum applications. Specifically, the project aimed to: Apply new diagnostic tools, i.e. spin spectroscopy techniques, for paramagnetic charge carrier states in organic semiconductors, based on coherent control with pulsed electron spin resonance to understand spin relaxation and spin mixing mechanisms in organic semiconductor materials and devices such as OLEDs. Explore the nature of charge carrier spin-coupling and pathways for its manipulation to control the physical behaviors of these materials. This involves investigating spin interactions through materials structure, composition, morphological dependencies, isotopic effects, and externally applied electric and magnetic fields, with the goal to manipulate electrical and optical material properties by adjusting spin-orbit, spin-dipolar, spin-exchange, as well as spin-hyperfine interactions to open up this materials class for new applications. Study spin-dependent charge carrier transport and recombination and how these observables are governed by spin-propagation, especially coherent spin propagation as well as collective spin-effects such as the spin-Dicke effect and resonant multi-photon magnetic dipole transitions. The project utilized pulsed electrically detected magnetic resonance (pEDMR) and pulsed optically detected magnetic resonance (pODMR) techniques over a wide frequency range. These techniques enabled the observation and quantification of various spin-spin coupling types, including spin-exchange, spin-dipolar, hyperfine, and spin-orbit interactions. The project will leverage low- to mid-frequency pEDMR/pODMR facilities and collaboration with the National High Magnetic Field Laboratory.
36 MATERIALS SCIENCE↗
Implications of the XENON1T excess on the dark matter interpretation
The dark matter interpretation for a recent observation of excessive electron recoil events at the XENON1T detector seems challenging because its velocity is not large enough to give rise to recoiling electrons of O(keV). Fast-moving or boosted dark matter scenarios are receiving attention as a remedy for this issue, rendering the dark matter interpretation a possibility to explain the anomaly. We investigate various scenarios where such dark matter of spin 0 and 1/2 interacts with electrons via an exchange of vector, axial-vector, pseudo-scalar, or scalar mediators. We find parameter values not only to reproduce the excess but to be consistent with existing bounds. Our study suggests that the scales of mass and coupling parameters preferred by the excess can be mostly affected by the type of mediator, and that significantly boosted dark matter can explain the excess depending on the mediator type and its mass choice. The method proposed in this work is general, and hence readily applicable to the interpretation of observed data in the dark matter direct detection experiment.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Strong-coupling expansion of multi-band interacting models: Mapping onto the transverse-field J 1 - J 2 Ising model
We investigate a class of two-dimensional two-band microscopic models in which the inter-band repulsive interactions play the dominant role. We first demonstrate three different schemes of constraining the ratios between the three types of inter-band interactions – density-density, spin exchange, and pair-hopping – that render the model free of the fermionic sign-problem for any filling and, consequently, amenable to efficient Quantum Monte Carlo simulations. We then study the behavior of these sign-problem-free models in the strong-coupling regime. In the cases where spin-rotational invariance is preserved or lowered to a planar symmetry, the strong-coupling ground state is a quantum paramagnet. However, in the case where there is only a residual Ising symmetry, the strong-coupling expansion maps onto the transverse-field J 1 - J 2 Ising model, whose pseudospins are associated with local inter-band magnetic order. We show that by varying the band structure parameters within a reasonable range of values, a variety of ground states and quantum critical points can be accessed in the strong-coupling regime, some of which are not realized in the weak-coupling regime. Here, we compare these results with the case of the single-band Hubbard model, where only intra-band repulsion is present, and whose strong-coupling behavior is captured by a simple Heisenberg model.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Simulating the Geological Fate of Terrestrial Organic Matter: Lignin vs Cellulose
While shale gas has become a major source of energy, a more sustainable recovery requires a better understanding of the gas/kerogen matrix interactions. Here, we use replica exchange molecular dynamics to investigate the geological conversion of two important classes of gas-forming constituents of the terrestrial organic matter: lignin and cellulose. In agreement with results from pyrolysis experiments, we show that lignin produces twice as much kerogen and 5 times more methane than cellulose. In addition, while ex-cellulose kerogen is relatively stiff and almost nonporous, ex-lignin kerogen, despite having a very similar composition and bonding, is an order of magnitude more compliant due to the presence of large micropores. The obtained results can potentially improve the nanoscale brick of bottom-up models of shale gas recovery.
58 GEOSCIENCES↗
Modeling Liquid Water by Climbing up Jacob’s Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials
Within the framework of Kohn–Sham density functional theory (DFT), the ability to provide good predictions of water properties by employing a strongly constrained and appropriately normed (SCAN) functional has been extensively demonstrated in recent years. Here, we further advance the modeling of water by building a more accurate model on the fourth rung of Jacob’s ladder with the hybrid functional, SCAN0. In particular, we carry out both classical and Feynman path-integral molecular dynamics calculations of water with the SCAN0 functional and the isobaric–isothermal ensemble. To generate the equilibrated structure of water, a deep neural network potential is trained from the atomic potential energy surface based on ab initio data obtained from SCAN0 DFT calculations. For the electronic properties of water, a separate deep neural network potential is trained by using the Deep Wannier method based on the maximally localized Wannier functions of the equilibrated trajectory at the SCAN0 level. The structural, dynamic, and electric properties of water were analyzed. The hydrogen-bond structures, density, infrared spectra, diffusion coefficients, and dielectric constants of water, in the electronic ground state, are computed by using a large simulation box and long simulation time. For the properties involving electronic excitations, we apply the GW approximation within many-body perturbation theory to calculate the quasiparticle density of states and bandgap of water. Compared to the SCAN functional, mixing exact exchange mitigates the self-interaction error in the meta-generalized-gradient approximation and further softens liquid water toward the experimental direction. For most of the water properties, the SCAN0 functional shows a systematic improvement over the SCAN functional. However, some important discrepancies remain. The H-bond network predicted by the SCAN0 functional is still slightly overstructured compared to the experimental results.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Helical spin structure in iron chains with hybridized boundaries
In this paper, we have compared the magnetic properties of well-controlled ultra-short (≤50 nm) atomic iron (Fe) chains embedded in Fe-phthalocyanine films with those in Fe–hydrogen (H2) phthalocyanine superlattices. Surprisingly, we found that the coercivity of the atomic chains with free boundary conditions is independent of the chain length, whereas the one subject to hybridization of the chain ends exhibits an unexpected length dependence. These findings suggest that ferromagnetism in the free-boundary condition system is caused by an intrinsic indirect exchange. On the other hand, controlled boundary conditions produce a helical spin structure due to an extrinsic indirect exchange, which arises from the interaction between iron atoms at the ends of the chain and the hydrogen in the H 2 phthalocyanine spacer. As a consequence, during magnetic reversal, ultra-short iron chains subject to boundary clamping develop a helical spin structure, leading to increased coercivity. These findings suggest unique insights and ideas for the design of atomic-scale ultra-dense magnetic storage nanodevices.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Traversable wormholes in four dimensions
Here, we present a wormhole solution in four dimensions. It is a solution of an Einstein Maxwell theory plus charged massless fermions. The fermions give rise to a negative Casimir-like energy, which makes the wormhole possible. It is a long wormhole that does not lead to causality violations in the ambient space. It can be viewed as a pair of entangled near extremal black holes with an interaction term generated by the exchange of fermion fields. The solution can be embedded in the Standard Model by making its overall size small compared to the electroweak scale.
79 ASTRONOMY AND ASTROPHYSICS↗
Selective acoustic control of photon-mediated qubit-qubit interactions
Quantum technologies such as quantum sensing, quantum imaging, quantum communications, and quantum computing rely on the ability to actively manipulate the quantum state of light and matter. Quantum emitters, such as color centers trapped in solids, are a useful platform for the realization of elementary building blocks (qubits) of quantum information systems. In particular, the modular nature of such solid-state devices opens up the possibility to connect them into quantum networks and create nonclassical states of light shared among many qubits. The function of a quantum network relies on efficient and controllable interactions among individual qubits. In this context, we present a scheme where optically active qubits of differing excitation energies are mutually coupled via a dispersive interaction with a shared mode of an optical cavity. This generally off-resonant interaction is prohibitive of direct exchange of information among the qubits. However, we propose a scheme in which by acoustically modulating the qubit excitation energies it is, in fact, possible to tune to resonance a preselected pair of qubits and thus open a communication channel between them. This method potentially enables fast (approximately nanoseconds) and parallelizable on-demand control of a large number of physical qubits. In this work, we develop an analytical and a numerical theoretical model demonstrating this principle and suggest feasible experimental scenarios to test the theoretical predictions.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Nonlocal Interactions in Moiré Hubbard Systems
Moiré materials formed in two-dimensional semiconductor heterobilayers are quantum simulators of Hubbard-like physics with unprecedented electron density and interaction strength tunability. Compared to atomic scale Hubbard-like systems, electrons or holes in moiré materials are less strongly attracted to their effective lattice sites because these are defined by finite-depth potential extrema. As a consequence, nonlocal interaction terms like interaction-assisted hopping and intersite exchange are more relevant. Here, we theoretically demonstrate the possibility of tuning the strength of these coupling constants to favor unusual states of matter, including spin liquids, insulating ferromagnets, and superconductors.
36 MATERIALS SCIENCE↗
Interaction models and configurational entropies of binary MoTa and the MoNbTaW high entropy alloy
We introduce a simplified method to model the interatomic interactions of high entropy alloys based on a lookup table of cluster energies. Furthermore, these interactions are employed in replica exchange Monte Carlo simulations with histogram analysis to obtain thermodynamic properties across a broad temperature range. Kikuchi's cluster variation method entropy formalism is applied to directly calculate entropy from statistics on short- and long-range chemical order, and we discuss the convergence of the entropy as clusters of differing size are included. A high temperature series expansion aids in our understanding of the convergence. Computer codes implementing these methods, and supporting data, are freely available on the internet.
36 MATERIALS SCIENCE↗
Neutrinoless Double Beta Decay of 136 Xe and Related Nuclear Structure Studies (Final Scientific Report)
The search for neutrinoless double-beta decay (0nbb) explores new physics by directly probing the unknown mass scale and possible Majorana nature of the neutrino. The nEXO experiment, one of the two leading proposed ton-scale projects in the US, has a projected sensitivity to the 136 Xe 0nbb half-life of 10 28 years. The interpretation of possible signals in this next generation of experiments would be complicated by significant variations in theoretical calculations of the nuclear matrix elements (NMEs) of the decay, and nuclear structure measurements testing those theories can help address that uncertainty. We have 136 Xe(p,n) 136 Cs reaction at TUNL to deduce the level-scheme of states in 136 Cs through which the lowest-lying 1+ state decays. We find that over 99% of such decays will proceed through at least one isomeric state with a lifetime of order 100ns, which would enable large xenon detectors to employ a delayed-coincidence technique to search for charge-exchange processes including solar neutrino interactions. We have carried out measurements at TUNL of the 134 Xe( 3 He,n) 136 Ba and 136 Xe( 3 He,n) 138 Ba reactions to low-lying 0 + states in the residuals to probe the BCS assumption for QRPA NME calculations for the initial and final nuclei in 136 Xe 0nbb. While the analyses of these reactions is not yet complete and is ongoing, our initial results indicate tension with the BCS assumption. We have assembled a thermosyphon cooling R&D system for nEXO which has demonstrated up to 500 W of cooling in vacuum. We have developed a simple thermosyphon cooling simulation for nEXO and planned laboratory tests with the R&D system to benchmark it.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗