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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 1,027 records · Page 57

Multi-tracer investigation of river and groundwater interactions: a case study in Nalenggele River basin, northwest China

Environmental tracers (such as major ions, stable and radiogenic isotopes, and heat) monitored in natural waters provide valuable information for understanding the processes of river–groundwater interactions in arid areas. An integrated framework is presented for interpreting multi-tracer data (major ions, stable isotopes ({sup 2}H, {sup 18}O), the radioactive isotope {sup 222}Rn, and heat) for delineating the river–groundwater interactions in Nalenggele River basin, northwest China. Qualitative and quantitative analyses were undertaken to estimate the bidirectional water exchange associated with small-scale interactions between groundwater and surface water. Along the river stretch, groundwater and river water exchange readily. From the high mountain zone to the alluvial fan, groundwater discharge to the river is detected by tracer methods and end-member mixing models, but the river has also been identified as a losing river using discharge measurements, i.e. discharge is bidirectional. On the delta-front of the alluvial fan and in the alluvial plain, in the downstream area, the characteristics of total dissolved solids values, {sup 222}Rn concentrations and δ{sup 18}O values in the surface water, and patterns derived from a heat-tracing method, indicate that groundwater discharges into the river. With the environmental tracers, the processes of river–groundwater interaction have been identified in detail for better understanding of overall hydrogeological processes and of the impacts on water allocation policies.

58 GEOSCIENCES↗

Measurement of exclusive 𝜋 + -argon interactions using ProtoDUNE-SP

We present the measurement of 𝜋 + -argon inelastic cross sections using the ProtoDUNE single-phase liquid argon time projection chamber in the incident 𝜋 + kinetic energy range of 500–800 MeV in multiple exclusive channels (absorption, charge exchange, and the remaining inelastic interactions). The results of this analysis are important inputs to simulations of liquid argon neutrino experiments such as the Deep Underground Neutrino Experiment and the Short Baseline Neutrino program at Fermi National Accelerator Laboratory. They will be employed to improve the modeling of final state interactions within neutrino event generators used by these experiments, as well as the modeling of 𝜋 + -argon secondary interactions within the liquid argon. This is the first measurement of 𝜋 + -argon absorption at this kinetic energy range as well as the first ever measurement of 𝜋 + -argon charge exchange.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Chiral Lattice Supersolid on Edges of Quantum Spin Hall Samples

We show that edges of Quantum Spin Hall topological insulators represent a natural platform for realization of exotic magnetic phase which has all properties of lattice supersolid. On one hand, fermionic edge modes are helical due to the nontrivial topology of the bulk. On the other hand, a disorder at the edge or magnetic adatoms may produce a dense array of localized spins interacting with the helical electrons. The spin subsystem is magnetically frustrated since the indirect exchange favors formation of helical spin order and the direct one favors (anti)ferromagnetic ordering of the spins. At a moderately strong direct exchange, the competition between these spin interactions results in the spontaneous breaking of parity and in the Ising type order of the z-components at zero temperature. If the total spin is conserved the spin order does not pin a collective massless helical mode which supports the ideal transport. In this case, the phase transition converts the helical spin order to the order of a chiral lattice supersolid. Furthermore, this represents a radically new possibility for experimental studies of the elusive supersolidity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Shutter Interaction Study

The deployment, transport, and exchange procedures for the SOC logistics module and for logistics modules/cradles envisioned to support both the flight support facilities operation and the space construction operation were developed. The use of a holding and positioning aid device was determined to be the most desirable arrangement for the parking/holding of the modules during this exchange operation. The capability/feasibility of transporting eight crew members in the orbiter to and from the SOC was analyzed. Two arrangements were defined for this operation: (1) with the airlock in the orbiter cabin, and (2) with no airlock in the cabin.

Source record↗

Reggeization of the Pion Exchange in Pion Photoproduction

At high energies, the production of light mesons induced by a photon beam interacting with a nucleon target is governed by the exchange of Regge trajectories in the t-channel. In charge-exchange reactions at small momentum transfer, unnatural parity exchanges, such as pion exchange, dominate. The point-like nature of the photon–pion interaction makes the pion photoproduction reaction an excellent way to study the pion exchange mechanism. However, the nucleon Born terms are required to ensure that the scattering amplitude is gauge invariant. The gauge invariance of the pion exchange amplitude is crucial in approaching its reggeization properly. Here we discuss a novel strategy to reggeize the pion pole which considers explicitly the exchange in the t-channel of all the mesons in the pion trajectory. Each of these exchanges contributes with a pole in spin, known as a Regge pole, and we perform their summation analytically.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Implications of summertime marine stratocumulus on the North American climate

This study focuses on the effects of summertime stratocumulus over the eastern Pacific. This cloud is linked to the semi-permanent sub-tropical highs that dominate the low-level circulation over the Pacific and Atlantic. Subsidence on the eastern flank of these highs creates an inversion based about 800 m above sea level that caps moist air near the surface. This air overlies cool waters driven by upwelling along the coastal regions of North America. Strong surface north-westerlies mix the boundary layer enough to saturate the air just below the capping inversion. Widespread stratocumulus is thus formed. All calculations were carried out using the GENESIS general circulation model that was run at MSFC. Among the more important properties of the model is that it includes radiative forcing due to absorption of solar radiation and the emission of infrared radiation, interactive clouds (both stratocumulus and cumulus types), exchanges of heat and moisture with the lower boundary. Clouds are interactive in the sense that they impact the circulation by modifying the fields of radiative heating and turbulent fluxes of heat and moisture in the boundary layer. In turn, clouds are modified by the winds through the advection of moisture. In order to isolate the effects of mid- and high-latitude stratocumulus, two runs were made with the model: one with and the other without stratocumulus. The runs were made for a year, but with perpetual July conditions, i.e., solar forcing was fixed. The diurnal solar cycle, however, was allowed for. The sea surface temperature distribution was fixed in both runs to represent climatological July conditions. All dependent variables were represented at 12 surfaces of constant sigma = p/p(sub O), where p is pressure and p(sub O) is surface pressure. To facilitate analysis, model output was transformed to constant pressure surfaces. Structures no smaller in size than 7.5 degrees longitude and 4.5 degrees in latitude were resolved. Smaller features of the circulation were parameterized. The model thus captures synoptic- and planetary-scale circulation features.

Clark, John H. E.↗

Development of an Advanced Force Field for Water Using Variational Energy Decomposition Analysis

Given the piecewise approach to modeling intermolecular interactions for force fields, they can be difficult to parametrize since they are fit to data like total energies that only indirectly connect to their separable functional forms. Furthermore, by neglecting certain types of molecular interactions such as charge penetration and charge transfer, most classical force fields must rely on, but do not always demonstrate, how cancellation of errors occurs among the remaining molecular interactions accounted for such as exchange repulsion, electrostatics, and polarization. In this work we present the first generation of the (many-body) MB-UCB force field that explicitly accounts for the decomposed molecular interactions commensurate with a variational energy decomposition analysis, including charge transfer, with force field design choices that reduce the computational expense of the MB-UCB potential while remaining accurate. We optimize parameters using only a single water molecule and water cluster data up through pentamers, with no fitting to condensed phase data, and we demonstrate that high accuracy is maintained when the force field is subsequently validated against conformational energies of larger water cluster data sets, radial distribution functions of the liquid phase, and the temperature dependence of thermodynamic and transport water properties. Finally, we conclude that MB-UCB is comparable in performance to MB-Pol but is less expensive and more transferable by eliminating the need to represent short-ranged interactions through large parameter fits to high order polynomials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Heterobilayer moiré magnets: Moiré skyrmions and commensurate-incommensurate transitions

In this work, we study untwisted heterobilayers of ferromagnetic and antiferromagnetic van der Waals materials, with in particular a Dzyaloshinskii-Moriya interaction in the ferromagnetic layer. A continuum low-energy field theory is utilized to study such systems. We develop a phase diagram as a function of the strength of interlayer exchange and Dzyaloshinskii-Moriya interactions, combining perturbative and strong coupling analyses with numerical simulations using Landau-Lifshitz-Gilbert equations. Various moiré-periodic commensurate phases are found, and the commensurate-incommensurate transition is discussed. Among the commensurate phases, we observe an interesting skyrmion lattice phase wherein each moiré unit-cell hosts one skyrmion.

2-dimensional systems↗

Relationship between radiation-induced aberrations in individual chromosomes and their DNA content: effects of interaction distance

PURPOSE: To study the effect of the interaction distance on the frequency of inter- and intrachromosome exchanges in individual chromosomes with respect to their DNA content. Assumptions: Chromosome exchanges are formed by misrejoining of two DNA double-strand breaks (DSB) induced within an interaction distance, d. It is assumed that chromosomes in G(0)/G(1) phase of the cell cycle occupy a spherical domain in a cell nucleus, with no spatial overlap between individual chromosome domains. RESULTS: Formulae are derived for the probability of formation of inter-, as well as intra-, chromosome exchanges relating to the DNA content of the chromosome for a given interaction distance. For interaction distances <1 microm, the relative frequency of interchromosome exchanges predicted by the present model is similar to that by Cigarran et al. (1998) based on the assumption that the probability of interchromosome exchanges is proportional to the "surface area" of the chromosome territory. The "surface area" assumption is shown to be a limiting case of d-->0 in the present model. The present model also predicts that the probability of intrachromosome exchanges occurring in individual chromosomes is proportional to their DNA content with correction terms. CONCLUSION: When the interaction distance is small, the "surface area" distribution for chromosome participation in interchromosome exchanges has been expected. However, the present model shows that for the interaction distance as large as 1 microm, the predicted probability of interchromosome exchange formation is still close to the surface area distribution. Therefore, this distribution does not necessarily rule out the formation of complex chromosomal aberrations by long-range misrejoining of DSB.

Non-programmatic↗

Quasielastic $\overrightarrow{^{3}He}$ $(\overrightarrow{e},e′)$ asymmetry in the threshold region with a longitudinally polarized target

We report on the measurements of the double-spin asymmetry from electron- 3 He scattering in the threshold region of two- and three-body breakup of 3 He for 4-momentum transfer values of 0.1 and 0.2 (GeV/c) 2 . The measurement was done at Jefferson Lab using a polarized 3 He target with its spin aligned parallel to the beam direction. This asymmetry is sensitive to a combination of spin-dependent response functions not previously measured and may highlight differences in two body forces, meson-exchange currents and final-state interactions. The results of this measurement serve as a test of our understanding of few-body systems. When compared with calculations from plane wave impulse approximation and Faddeev calculations, we found that the latter, which use modern nuclear potentials and prescriptions for meson-exchange currents, demonstrate an overall good agreement with data.

Few-body nuclei↗

Neutrinoless double beta decay via light neutralinos in R-parity violating supersymmetry

We perform a study of neutrinoless double beta (0νββ) decay mediated by the lightest neutralino of arbitrary mass in the minimal supersymmetric Standard Model (MSSM) under the presence of R-parity violating trilinear interactions. In this scenario, the exchange of the lightest neutralino can result in 0νββ decay of either long-range or short-range behaviour, depending on the neutralino mass. Using nuclear matrix elements calculated in the interacting boson model, we use an interpolation between the long- and short-range behaviours with an approximate formula. The non-observation of 0νββ decay is then used to place constraints on the supersymmetry parameter space, compatible with constraints from collider experiments. We compare these constraints to bounds from pion decays, CKM unitarity and big bang nucleosynthesis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Interfacial interactions between polymers and selective adsorbents influence ion transport properties of boron scavenging ion-exchange membranes

The recent emergence of adsorptive ion-exchange membranes (IEMs), designed by the synergistic integration of highly selective porous aromatic frameworks (PAFs) with ion-exchange polymers, has enabled simultaneous desalination and targeted removal of specific solutes (e.g., mercury, iron, boron, etc.). While the addition of highly selective PAFs to IEMs yields membranes with entirely new functions, PAF-polymer interactions, and the effects of such interactions on ion transport properties of the membranes, are not well understood. In this study, we developed cross-linked adsorptive cation- and anion-exchange membranes (CEMs and AEMs) for simultaneous desalination and boron removal via in-situ formation of the cross-linked polymer network around the boron selective PAF particles. Here we systematically investigated the influence of PAF loading level on PAF-polymer interactions as well as the equilibrium and transport properties of the adsorptive IEMs. The interactions between the PAF and the ion-exchange polymer matrix differed for the CEMs and AEMs due to differences in the fixed charge group chemistry. Notably, the sulfonate groups of the CEMs can form hydrogen bonds with the hydroxyl groups of the PAF, while the quaternary ammonium groups in the AEMs cannot. These differences in interfacial interactions did not significantly impact counter-ion transport across the adsorptive IEMs but had a significant influence on co-ion transport, which affected the counter-ion/co-ion selectivity of the membranes. The selectivity of the adsorptive CEMs decreased while that of the adsorptive AEMs increased with PAF loading level. The results of this study underscore the importance of controlling interfacial interactions when designing adsorptive IEMs for simultaneous water desalination and solute capture and recovery.

36 MATERIALS SCIENCE↗

Magnetic interactions and spin excitations in van der Waals ferromagnet VI 3

Using a combination of density functional theory (DFT) and spin-wave theory methods, we investigate the magnetic interactions and spin excitations in semiconducting VI 3 . Exchange parameters of monolayer, bilayer, and bulk forms are evaluated by mapping the magnetic energies of various spin configurations, calculated using DFT + U, onto the Heisenberg model. The intralayer couplings remain largely unchanged in three forms of VI 3 , while the interlayer couplings show stronger dependence on the dimensionality of the materials. We calculate the spin-wave spectra within a linear spin-wave theory and discuss how various exchange parameters affect the magnon bands. Here, the magnon–magnon interaction is further incorporated, and the Curie temperature is estimated using a self-consistently renormalized spin-wave theory. To understand the roles of constituent atoms on magnetocrystalline anisotropy energy (MAE), we resolve MAE into sublattices and find that a strong negative V-I inter-sublattice contribution is responsible for the relatively small easy-axis MAE in VI 3 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Plasma-neutral interaction processes in the magnetosphere of Saturn

Models of Saturnian magnetospheric processes are reviewed emphasizing the interaction of charged and neutral particles in the gaseous phase and mentioning the role of solid matter. It is found that interpretations of different Voyager datasets regarding the Saturnian magnetosphere can vary. Specific interactions examined to resolve these discrepancies include charge exchange, ion-atom interchange, isotropizing and thermalizing collisions, and interactions between magnetospheric charged particles and surface layers of the icy satellites. The latter interactions result in sputtering of the surface or atmosphere as well as neutral injections into the magnetosphere. Constraints based on known reaction rates are shown to be useful in analyzing the abundances of the water-group molecules. The composition of the magnetospheric plasma is shown to be related to the differences between the interactions of atomic and molecular plasmas with neutral matter.

Eviatar, Aharon↗

Human-Vehicle Interface for Semi-Autonomous Operation of Uninhabited Aero Vehicles

The robustness of autonomous robotic systems to unanticipated circumstances is typically insufficient for use in the field. The many skills of human user often fill this gap in robotic capability. To incorporate the human into the system, a useful interaction between man and machine must exist. This interaction should enable useful communication to be exchanged in a natural way between human and robot on a variety of levels. This report describes the current human-robot interaction for the Stanford HUMMINGBIRD autonomous helicopter. In particular, the report discusses the elements of the system that enable multiple levels of communication. An intelligent system agent manages the different inputs given to the helicopter. An advanced user interface gives the user and helicopter a method for exchanging useful information. Using this human-robot interaction, the HUMMINGBIRD has carried out various autonomous search, tracking, and retrieval missions.

Jones, Henry L.↗

Software-defined network for end-to-end networked science at the exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work presented here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end- to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

47 OTHER INSTRUMENTATION↗

Phenyldithiocarbamate Ligands Decompose During Nanocrystal Ligand Exchange

Exchanging the native surface ligands of CdSe nanocrystals with phenyldithiocarbamate molecules is known to red-shift the absorption spectrum and improve the conductivity of nanocrystal films. However, the mechanism of exchange and the details on the interaction between the nanocrystal surface and phenyldithiocarbamates have not been fully resolved. Using NMR and density functional theory calculations, we show that phenyldithiocarbamates decompose during exchange with native ligands. Phenyldithiocarbamate salts decompose when the cation (triethylammonium in this study) acts as an acid, donating a proton to the 3,5-dimethylphenyldithiocarbamate ligand (DMPTC) producing 3,5-dimethylaniline, carbon disulfide, and other decomposition products. While most decomposition products negligibly interact with the nanocrystal surface, 3,5-dimethylaniline chemically binds to the CdSe nanocrystals. Finally, this work demonstrates that the ligand exchange between colloidal nanocrystals and phenyldithiocarbamate ligands occurs in a dynamic system with a variety of molecular species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Software-Defined Network for End-to-end Networked Science at the Exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work we presen here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end-to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

97 MATHEMATICS AND COMPUTING↗