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At least 739 records · Page 41

A Thermodynamic Paradigm for Studying Disease Vector’s Habitats & Life Cycles Using NASA’s NextGen Remote Sensing Instruments

Global public health is entering a new informational age through the use of spatial models of disease vector/host ecologies driven by the use of remotely sensed data to measure environmental and structural factors critical in determining disease vector habitats, distributions, life cycles, and host interactions. The vector habitat microclimates can be quantified in terms of the surface energy budget measured by satellites. The epidemiological equations (processes) can be adapted and modified to explicitly incorporate environmental factors and interfaces required by a specific disease and its vector/host cycle. Remote sensing can be used to measure or evaluate or estimate both environment (state functions) and interface (process functions). Remote sensing can be used to measure or evaluate or estimate both environment (state functions) and interface (process functions) defining vector habitats. The products of remote sensing can be integrated directly into the epidemiological equations to significantly enhance our understanding of disease vector’s life cycles and habitats. The next generation of NASA’s remote sensing instruments recently operational will provide a significant enhancement in our ability to study disease vector’s life cycles and habitats. Three new instruments have become operational on the International Space Station (ISS) In June 2018, ECOSTRESS (The ECOsystem Spaceborne Thermal Radiometer Experiment on Space Station), a five channel, thermal IR instrument with 70 m resolution and approximately 4-5 day repeat cycle of day/night pairs along with DESISa hyperspectral sensor system 235 channels (between 400 and 1000 nanometers), 30 m resolution, and data only being acquired on demand. In November 2018. GEDI (Global Ecosystem Dynamics Investigation). GEDI is a high-resolution laser ranging of Earth’s forests and topography. These instruments set the stage for NASA’s new global designated observables set of remote sensing measurements collecting hyperspectral and multispectral thermal data called SBG (Surface Biology Geology). The SBG is currently in the planning stage. The availability and use of level 1-4 data products generated from these ISS instruments will be discussed.

thermodynamics↗

Applying MALDI-TOF MS to resolve morphologic and genetic similarities between two Dermacentor tick species of public health importance

Abstract Hard ticks (Acari: Ixodidae) have been historically identified by morphological methods which require highly specialized expertise and more recently by DNA-based molecular assays that involve high costs. Although both approaches provide complementary data for tick identification, each method has limitations which restrict their use on large-scale settings such as regional or national tick surveillance programs. To overcome those obstacles, the matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) has been introduced as a cost-efficient method for the identification of various organisms, as it balances performance, speed, and high data output. Here we describe the use of this technology to validate the distinction of two closely relatedDermacentortick species based on the development of the first nationwide MALDI-TOF MS reference database described to date. The dataset obtained from this protein-based approach confirms that tick specimens collected from United States regions west of the Rocky Mountains and identified previously asDermacentor variabilisare the recently described species,Dermacentor similis. Therefore, we propose that this integrative taxonomic tool can facilitate vector and vector-borne pathogen surveillance programs in the United States and elsewhere.

Science & Technology - Other Topics↗

Scalar/Vector potential formulation for compressible viscous unsteady flows

A scalar/vector potential formulation for unsteady viscous compressible flows is presented. The scalar/vector potential formulation is based on the classical Helmholtz decomposition of any vector field into the sum of an irrotational and a solenoidal field. The formulation is derived from fundamental principles of mechanics and thermodynamics. The governing equations for the scalar potential and vector potential are obtained, without restrictive assumptions on either the equation of state or the constitutive relations or the stress tensor and the heat flux vector.

Morino, L.↗

Design of optimal second-order state estimators

The present consideration of the design of online computation-saving second-order state estimators for second-order vector-matrix differential systems proposes a class of such estimators which is proven to possess guaranteed convergence. A class of optimal second-order estimators is then obtained, and the conditions required for optimality are identified. The estimator proposed offers high performance in conjunction with online computation reductions sufficiently great to allow the estimation of the large number of state variables associated with control of large, flexible space structures represented by high-dimensional second-order systems.

Joshi, Suresh M.↗

Higgs constraints from vector boson fusion and scattering

We present results on 4-lepton + 2-jet production, the partonic processes most commonly described as vector boson pair production in the Vector Boson Fusion (VBF) mode. That final state contains diagrams that are mediated by Higgs boson exchange. We focus particularly on the high-mass behaviour of the Higgs boson mediated diagrams, which unlike on-shell production, gives information about the Higgs couplings without assumptions on the Higgs boson total width. We assess the sensitivity of the high-mass region to Higgs coupling strengths, considering all vector boson pair channels, W - W + , W ± W ± , W ± Z and ZZ. Because of the small background, the most promising mode is W + W + which has sensitivity to Higgs couplings because of Higgs boson exchange in the t-channel. Furthermore, using the Caola-Melnikov (CM) method, the off-shell couplings can be interpreted as bounds on the Higgs boson total width. We estimate the bound that can be obtained with current data, as well as the bounds that could be obtained at √s=13 TeV in the VBF channel for data samples of 100 and 300 fb -1 . The CM method has already been successfully applied in the gluon fusion (GGF) production channel. The VBF production channel gives important complementary information, because both production and decay of the Higgs boson occur already at tree graph level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Topological Mott transition in a two band model of spinless fermions with on-site Coulomb repulsion

Highlights: • The effect of the on-site Coulomb repulsion and the spin–orbit Rashba coupling lead to the 2D topological semimetal. • The ground state phase diagram is calculated. • The topological semimetal phase is characterized by the zero energy Majorana states. In the framework of mean field approach, we study topological Mott transition in a two band model of spinless fermions on a square lattice at half filling. We consider the combined effect of the on-site Coulomb repulsion and the spin–orbit Rashba coupling. The ground state phase diagram is calculated as a function of the strength of the spin–orbit Rashba coupling and the Coulomb repulsion. The spin–orbit Rashba coupling leads to a distinct phase of matter, the topological semimetal. We study a new type of phase transition between the non-topological insulator and topological semimetal states. Topological phase state is characterized by the zero energy Majorana states, which there are in defined region of the wave vectors and are localized at the boundaries of the sample. The region of existence of the zero energy Majorana states tends to zero at the point of the Mott phase transition. The zero energy Majorana states are dispersionless (they can be considered as flat bands), the Chern number and Hall conductance are equal to zero (note in two dimensional model).

36 MATERIALS SCIENCE↗

Dynamics of the two-spin spin-boson model with a common bath

Dynamics of the two-spin spin-boson model in the presence of Ohmic and sub-Ohmic baths is investigated by employing a multitude of the Davydov D{sub 1} trial states, also known as the multi-D{sub 1} Ansatz. Its accuracy in dynamics simulations of the two-spin SBM is improved significantly over the single D{sub 1} Ansatz, especially in the weak to moderately strong coupling regime. Validity of the multi-D{sub 1} Ansatz for various coupling strengths is also systematically examined by making use of the deviation vector which quantifies how faithfully the trial state obeys the Schrödinger equation. The time evolution of population difference and entanglement has been studied for various initial conditions and coupling strengths. Careful comparisons are carried out between our approach and three other methods, i.e., the time-dependent numerical renormalization group (TD-NRG) approach, the Bloch-Redfield theory, and a method based on a variational master equation. For strong coupling, the multi-D{sub 1} trial state yields consistent results as the TD-NRG approach in the Ohmic regime while the two disagree in the sub-Ohmic regime, where the multi-D{sub 1} trial state is shown to be more accurate. For weak coupling, the multi-D{sub 1} trial state agrees with the two master-equation methods in the presence of both Ohmic and sub-Ohmic baths, but shows considerable differences with the TD-NRG approach in the presence of a sub-Ohmic bath, calling into question the validity of the TD-NRG results at long times in the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Autonomous reconfigurable GPS/INS navigation and pointing system for rendezvous and docking

This paper describes the results of an integrated navigation and pointing system software development effort sponsored by the NASA MSFC through a SBIR Phase 2 Program. The integrated Global Positioning System (GPS)/Inertial Navigation System (INS) implements an autonomous navigation filter that is reconfigurable in real-time to accommodate mission contingencies. An onboard expert system monitors the spacecraft status and reconfigures the navigation filter accordingly, to optimize the system performance. The navigation filter is a multi-mode Kalman filter to estimate the spacecraft position, velocity, and attitude. Three different GPS-based attitude determination techniques, namely, velocity vector matching, attitude vector matching, and interferometric processing, are implemented to encompass different mission contingencies. The integrated GPS/INS navigation filter will use any of these techniques depending on the mission phase and the state of the sensors. The first technique, velocity vector matching, uses the GPS velocity measurement to estimate the INS velocity errors and exploits the correlation between INS velocity and attitude errors to estimate the attitude. The second technique, attitude vector matching, uses INS gyro measurements and GPS carrier phase (integrated Doppler) measurements during a spacecraft rotation maneuver to determine the attitude. Both of these techniques require only one GPS antenna onboard to determine the spacecraft attitude. The third technique, interferometric processing, requires use of multiple GPS antennae. In order to determine 3-axis body attitude, three GPS antennae (2 no-coplanor baselines) are required.

Upadhyay, Triveni N.↗

Quasiclassical Theory of C4-Symmetric Magnetic Order in Disordered Multiband Metals

Recent experimental studies performed in the normal state of iron-based superconductors have discovered the existence of the C 4 -symmetric (tetragonal) itinerant magnetic state. This state can be described as a spin density wave with two distinct magnetic vectors Q → 1 and Q → 2 . Given an itinerant nature of magnetism in iron-pnictides, we develop a quasiclassical theory of tetragonal magnetic order in disordered three-band metal with anisotropic band structure. Within our model we find that the C 4 -symmetric magnetism competes with the C 2 -symmetric state with a single Q → magnetic structure vector. Our main results is that disorder promotes tetragonal magnetic state which is in agreement with earlier theoretical studies.

74.45.c, 74.50. r, 74.20.R↗

Hohenberg-Kohn theorems in electrostatic and uniform magnetostatic fields

The Hohenberg-Kohn (HK) theorems of bijectivity between the external scalar potential and the gauge invariant nondegenerate ground state density, and the consequent Euler variational principle for the density, are proved for arbitrary electrostatic field and the constraint of fixed electron number. The HK theorems are generalized for spinless electrons to the added presence of an external uniform magnetostatic field by introducing the new constraint of fixed canonical orbital angular momentum. Thereby, a bijective relationship between the external scalar and vector potentials, and the gauge invariant nondegenerate ground state density and physical current density, is proved. A corresponding Euler variational principle in terms of these densities is also developed. These theorems are further generalized to electrons with spin by imposing the added constraint of fixed canonical orbital and spin angular momenta. The proofs differ from the original HK proof and explicitly account for the many-to-one relationship between the potentials and the nondegenerate ground state wave function. A Percus-Levy-Lieb constrained-search proof expanding the domain of validity to N-representable functions, and to degenerate states, again for fixed electron number and angular momentum, is also provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microfluidics Synthesis of Gene Silencing Cubosomes

The success of gene technologies hinges on our ability to engineer superior encapsulation and delivery vectors. Cubosomes are lipid-based nanoparticles where membranes, instead of enveloping into classic liposomes, intertwine into complex arrays of pores well-ordered in a cubic lattice. These complex nanoparticles encapsulate large contents of siRNA compared to a liposomal analogue. Importantly, the membranes that form cubosomes have intrinsic fusogenic properties that promote fast endosomal escape. Despite the great potential, traditional routes of forming cubosomes lead to particle sizes too large to fulfill the state-of-the art requirements of delivery vectors. To overcome this challenge, in this work we utilize a microfluidic nanomanufacturing device to synthesize cubosomes and siRNA-loaded cubosomes, termed cuboplexes. Utilizing cryogenic TEM and small angle X-ray scattering we elucidate the time-resolved mechanisms in which microfluidic devices allow the production of small cubosomes and cuboplexes (75 nm) that outperform commercially available delivery vectors, as well as liposome-based systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Insulating ground state and 2−𝑘 magnetic structure of candidate Weyl hydrogen-atom K2⁢Mn3⁢(AsO4)3

The ideal Weyl "hydrogen-atom" semimetal exhibits only a single pair of Weyl nodes and no other trivial states at the Fermi energy. Such a material would be a panacea in the study of Weyl quasi-particles, allowing direct unambiguous observation of their topological properties. The alluaudite-like K2⁢Mn3⁢(AsO4)3 compound was recently proposed as such a material. Here, we use comprehensive experimental work and first-principle calculations to assess this prediction. We find K2⁢Mn3⁢(AsO4)3 crystallizes in the 𝐶⁢2/𝑐 symmetry with a quasi-one-dimensional Mn sublattice, growing as small needle-like crystals. Bulk property measurements reveal magnetic transitions at ≈8 and ≈4 K, which neutron scattering experiments show correspond to two distinct magnetic orders, first a partially ordered ferrimagnetic 𝐤𝟏=(0,0,0) structure at 8 K and a second transition of 𝐤𝟐=(1,0,0) at 4 K to a fully ordered state. Below the second transition, both ordering vectors are necessary to describe the complex magnetic structure with modulated spin magnitudes. Both of the best-fit magnetic structures in this work are found to break the symmetry necessary for the generation of Weyl nodes, though one of the magnetic structures allowed by 𝐤𝟏 does preserve this symmetry. However, the crystals are optically transparent and ellipsometry measurements reveal a large band gap, undermining expectations of semimetallic behavior. Density functional theory calculations predict an insulating antiferromagnetic ground state, in contrast to previous reports, and suggest potential frustration on the magnetic sublattice. Given the wide tunability of the alluaudite structure, we consider ways to push the system closer to a semimetallic state.

Taddei, Keith M [Argonne National Laboratory]↗

Experimental and CFD Studies of Coolant Flow Mixing within Scaled Models of the Upper and Lower Plenums of NGNP Gas-Cooled Reactors

A 1/16th scaled VHTR experimental model was constructed and the preliminary test was performed in this study. To produce benchmark data for CFD validation in the future, the facility was first run at partial operation with five pipes being heated. PIV was performed to extract the vector velocity field for three adjacent naturally convective jets at statistically steady state. A small recirculation zone was found between the pipes, and the jets entered the merging zone at 3 cm from the pipe outlet but diverged as the flow approached the top of the test geometry. Turbulence analysis shows the turbulence intensity peaked at 41-45% as the jets mixed. A sensitivity analysis confirmed that 1000 frames were sufficient to measure statistically steady state. The results were then validated by extracting the flow rate from the PIV jet velocity profile, and comparing it with an analytic flow rate and ultrasonic flowmeter; all flow rates lie within the uncertainty of the other two methods for Tests 1 and 2. This test facility can be used for further analysis of naturally convective mixing, and eventually produce benchmark data for CFD validation for the VHTR during a PCC or DCC accident scenario. Next, a PTV study of 3000 images (1500 image pairs) were used to quantify the velocity field in the upper plenum. A sensitivity analysis confirmed that 1500 frames were sufficient to precisely estimate the flow. Subsequently, three (3, 9, and 15 cm) Y-lines from the pipe output were extracted to consider the output differences between 50 to 1500 frames. The average velocity field and standard deviation error that accrued in the three different tests were calculated to assess repeatability. The error was varied, from 1 to 14%, depending on Y-elevation. The error decreased as the flow moved farther from the output pipe. In addition, turbulent intensity was calculated and found to be high near the output. Reynolds stresses and turbulent intensity were used to validate the data by comparing it with benchmark data. The experimental data gave the same pattern as the benchmark data. A turbulent single buoyant jet study was performed for the case of LOFC in the upper plenum of scaled VHTR. Time-averaged profiles show that 3,000 frames of images were sufficient for the study up to second-order statistics. Self-similarity is an important feature of jets since the behavior of jets is independent of Reynolds number and a sole function of geometry. Self-similarity profiles were well observed in the axial velocity and velocity magnitude profile regardless of z/D where the radial velocity did not show any similarity pattern. The normal components of Reynolds stresses have self-similarity within the expected range. The study shows that large vortices were observed close to the dome wall, indicating that the geometry of the VHTR has a significant impact on its safety and performance. Near the dome surface, large vortices were shown to inhibit the flows, resulting in reduced axial jet velocity. The vortices that develop subsequently reduce the Reynolds stresses that develop and the impact on the integrity of the VHTR upper plenum surface. Multiple jets study, including two, three and five jets, were investigated.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Adaptive h -refinement for reduced-order models: ADAPTIVE h -refinement for reduced-order models

Our work presents a method to adaptively refine reduced-order models a posteriori without requiring additional full-order-model solves. The technique is analogous to mesh-adaptive h-refinement: it enriches the reduced-basis space online by ‘splitting’ a given basis vector into several vectors with disjoint support. The splitting scheme is defined by a tree structure constructed offline via recursive k-means clustering of the state variables using snapshot data. This method identifies the vectors to split online using a dual-weighted-residual approach that aims to reduce error in an output quantity of interest. The resulting method generates a hierarchy of subspaces online without requiring large-scale operations or full-order-model solves. Furthermore, it enables the reduced-order model to satisfy any prescribed error tolerance regardless of its original fidelity, as a completely refined reduced-order model is mathematically equivalent to the original full-order model. Experiments on a parameterized inviscid Burgers equation highlight the ability of the method to capture phenomena (e.g., moving shocks) not contained in the span of the original reduced basis.

42 ENGINEERING↗

Review—Practical Challenges Hindering the Development of Solid State Li Ion Batteries

Solid state electrolyte systems boasting Li+ conductivity of >10 mS cm -1 at room temperature have opened the potential for developing a solid state battery with power and energy densities that are competitive with conventional liquid electrolyte systems. The primary focus of this review is twofold. First, differences in Li penetration resistance in solid state systems are discussed, and kinetic limitations of the solid state interface are highlighted. Second, technological challenges associated with processing such systems in relevant form factors are elucidated, and architectures needed for cell level devices in the context of product development are reviewed. Specific research vectors that provide high value to advancing solid state batteries are outlined and discussed.

25 ENERGY STORAGE↗

Computation of the expectation value of the spin operator S^ 2 for the spin-flip Bethe–Salpeter equation

Spin-flip (SF) methods applied to excited-state approaches like the Bethe–Salpeter equation allow access to the excitation energies of open-shell systems, such as molecules and defects in solids. The eigenstates of these solutions, however, are generally not eigenstates of the spin operator S^ 2 . Even for simple cases where the excitation vector is expected to be, for example, a triplet state, the value of S^ 2 may be found to differ from 2.00; this difference is called 'spin contamination'. The expectation values S^ 2 must be computed for each excitation vector, to assist with the characterization of the particular excitation and to determine the amount of spin contamination of the state. Here, our aim is to provide for the first time in the SF methods literature a comprehensive resource on the derivation of the formulas for S^ 2 as well as its computational implementation. After a brief discussion of the theory of the SF Bethe–Salpeter equation (BSE) and some examples further illustrating the need for calculating S^ 2 , we present the derivation for the general equation for computing S^ 2 with the eigenvectors from an SF-BSE calculation, how it is implemented in a Python script, and timing information on how this calculation scales with the size of the SF-BSE Hamiltonian.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electronic landscape of the f -electron intermetallics with the ThCr 2 Si 2 structure

Although strongly correlated f -electron systems are well known as reservoirs for quantum phenomena, a persistent challenge is to design specific states. What is often missing are simple ways to determine whether a given compound can be expected to exhibit certain behaviors and what tuning vector(s) would be useful to select the ground state. In this review, we address this question by aggregating information about Ce, Eu, Yb, and U compounds with the ThCr 2 Si 2 structure. We construct electronic/magnetic state maps that are parameterized in terms of unit cell volumes and d -shell filling, which reveals useful trends including that (i) the magnetic and nonmagnetic examples are well separated, and (ii) the crossover regions harbor the examples with exotic states. These insights are used to propose structural/chemical regions of interest in these and related materials, with the goal of accelerating discovery of the next generation of f -electron quantum materials.

42 ENGINEERING↗

Origin of spin-driven ferroelectricity and effect of external pressure on the complex magnetism of the 6⁢ H perovskite Ba 3 ⁢Ho⁢Ru 2⁢ O 9

The compound Ba 3 HoRu 2 O 9 magnetically orders at 50 K (T N1 ), followed by another complex magnetic ordering at 10.2 K (T N2 ). The second magnetic phase transition was characterized by the coexistence of two competing magnetic ground states associated with two different magnetic wave vectors (K 1 = 0.5 0 0 and K 2 = 0.25 0.25 0). The multiferroicity and magnetoelectric coupling were predicted below T N2 in these 4d-based materials. Here, in this work, we have discussed the origin of spin-driven ferroelectricity, which is not known yet, and the nature of magnetoelectric domains. We have investigated the compound through time-of-flight neutron diffraction, synchrotron x-ray diffraction (XRD), ac susceptibility, frequency-dependent complex dielectric spectroscopy, and dc magnetization under external pressure. We have demonstrated that the noncollinear structure involving two different magnetic ions, Ru (4d) and Ho (4f), breaks the spatial inversion symmetry via inverse Dzyaloshinskii-Moriya (DM) interaction through strong 4d-4f magnetic correlation, which shifts the oxygen atoms and results in nonzero polarization. Such an observation of inverse DM interaction from two different magnetic ions which cause ferroelectricity is rarely observed. The stronger spin-orbit coupling of 4d orbital might play a major role in creating DM interaction of noncollinear spins. We have systematically studied the spin and dipolar dynamics, which exhibit intriguing behavior with shorter coherence lengths of second magnetic phase associated with the k 2 wave vector. The results manifest the development of finite-size magnetoelectric domains instead of true long-range ordering, which justifies the experimentally obtained low value of ferroelectric polarization. The lattice parameters and volume show a sharp anomaly at T N2 obtained by analyzing the temperature-dependence XRD, which is consistent with the ferroelectric transition, predicting a noncentrosymmetric space group, $P\bar{6}2c$, for this compound. Furthermore, we have investigated the effect of external pressure on this complex magnetism. The result reveals an enhancement of ordering temperature by the application of external pressure (~1.6 K/GPa). The external pressure might favor stabilizing the magnetic ground state associated with second magnetic phase. Our study shows an unconventional mechanism of spin-driven ferroelectricity involving inverse DM interaction between Ru (4d) and Ho (4f) magnetic ions due to strong 4d-4f cross coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗