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Accurate Predictions of Mean Geomagnetic Dipole Excursion and Reversal Frequencies, Mean Paleomagnetic Field Intensity, and the Radius of Earth's Core Using McLeod's Rule

The geomagnetic spatial power spectrum R(sub n)(r) is the mean square magnetic induction represented by degree n spherical harmonic coefficients of the internal scalar potential averaged over the geocentric sphere of radius r. McLeod's Rule for the magnetic field generated by Earth's core geodynamo says that the expected core surface power spectrum (R(sub nc)(c)) is inversely proportional to (2n + 1) for 1 less than n less than or equal to N(sub E). McLeod's Rule is verified by locating Earth's core with main field models of Magsat data; the estimated core radius of 3485 kn is close to the seismologic value for c of 3480 km. McLeod's Rule and similar forms are then calibrated with the model values of R(sub n) for 3 less than or = n less than or = 12. Extrapolation to the degree 1 dipole predicts the expectation value of Earth's dipole moment to be about 5.89 x 10(exp 22) Am(exp 2)rms (74.5% of the 1980 value) and the expected geomagnetic intensity to be about 35.6 (mu)T rms at Earth's surface. Archeo- and paleomagnetic field intensity data show these and related predictions to be reasonably accurate. The probability distribution chi(exp 2) with 2n+1 degrees of freedom is assigned to (2n + 1)R(sub nc)/(R(sub nc). Extending this to the dipole implies that an exceptionally weak absolute dipole moment (less than or = 20% of the 1980 value) will exist during 2.5% of geologic time. The mean duration for such major geomagnetic dipole power excursions, one quarter of which feature durable axial dipole reversal, is estimated from the modern dipole power time-scale and the statistical model of excursions. The resulting mean excursion duration of 2767 years forces us to predict an average of 9.04 excursions per million years, 2.26 axial dipole reversals per million years, and a mean reversal duration of 5533 years. Paleomagnetic data show these predictions to be quite accurate. McLeod's Rule led to accurate predictions of Earth's core radius, mean paleomagnetic field intensity, and mean geomagnetic dipole power excursion and axial dipole reversal frequencies. We conclude that McLeod's Rule helps unify geo-paleomagnetism, correctly relates theoretically predictable statistical properties of the core geodynamo to magnetic observation, and provides a priori information required for stochastic inversion of paleo-, archeo-, and/or historical geomagnetic measurements.

Voorhies, Coerte V.↗

Adaptive Sampling of Spatiotemporal Phenomena with Optimization Criteria

This work was designed to find a way to optimally (or near optimally) sample spatiotemporal phenomena based on limited sensing capability, and to create a model that can be run to estimate uncertainties, as well as to estimate covariances. The goal was to maximize (or minimize) some function of the overall uncertainty. The uncertainties and covariances were modeled presuming a parametric distribution, and then the model was used to approximate the overall information gain, and consequently, the objective function from each potential sense. These candidate sensings were then crosschecked against operation costs and feasibility. Consequently, an operations plan was derived that combined both operational constraints/costs and sensing gain. Probabilistic modeling was used to perform an approximate inversion of the model, which enabled calculation of sensing gains, and subsequent combination with operational costs. This incorporation of operations models to assess cost and feasibility for specific classes of vehicles is unique.

Chien, Steve A.↗

Accurate and Timely Forecasts of Geologic Carbon Storage using Machine Learning Methods

Carbon capture and storage is one strategy to reduce greenhouse gas emissions. One approach to storing the captured CO2 is to inject it into deep saline aquifers. However, dynamics of the injected CO2 plume is uncertain and the potential for leakage back to the atmosphere must be assessed. Thus, accurate and timely forecasts of CO2 storage via real-time measurements integration becomes very crucial. This study proposes a learning-based, inverse-free prediction method that can accurately and rapidly forecast CO2 movement and distribution with uncertainty quantification based on limited simulation and observation data. The machine learning techniques include dimension reduction, multivariate data analysis, and Bayesian learning. The outcome is expected to provide CO2 storage site operators with an effective tool for real-time decision making.

Lu, Dan↗

Nuclear Data Adjustment for Nonlinear Applications in the OECD/NEA WPNCS SG14 Benchmark—A Bayesian Inverse UQ-Based Approach for Data Assimilation

The Organisation for Economic Co-operation and Development Working Party on Nuclear Criticality Safety has proposed a benchmark exercise to assess the performance of current nuclear data adjustment techniques applied to nonlinear applications and experiments with low correlation to applications. This work introduces Bayesian inverse uncertainty quantification (IUQ) employing scientific machine learning surrogate models as a method for nuclear data adjustments in this benchmark, and compares IUQ to the more traditional methods of generalized linear least squares (GLLS) and Monte Carlo Bayes (MOCABA). Posterior predictions from IUQ showed agreement with GLLS and MOCABA for linear applications. Here, when comparing GLLS, MOCABA, and IUQ posterior predictions to computed model responses using adjusted parameters, we observe that the GLLS predictions failed to replicate the computed response distributions for nonlinear applications, while MOCABA showed near agreement, and IUQ used the computed model responses directly. We also discuss observations on why experiments with low correlation to applications can be informative to nuclear data adjustments and identify some properties useful in selecting experiments for inclusion in nuclear data adjustment. Performance in this benchmark indicates potential for Bayesian IUQ in nuclear data adjustments.

Bayesian calibration↗

Irrigation Requirement Estimation using MODIS Vegetation Indices and Inverse Biophysical Modeling; A Case Study for Oran, Algeria

Human demand for food influences the water cycle through diversion and extraction of fresh water needed to support agriculture. Future population growth and economic development alone will substantially increase water demand and much of it for agricultural uses. For many semi-arid lands, socio-economic shifts are likely to exacerbate changes in climate as a driver of future water supply and demand. For these areas in particular, where the balance between water supply and demand is fragile, variations in regional climate can have potentially predictable effect on agricultural production. Satellite data and biophysically-based models provide a powerful method to quantify the interactions between local climate, plant growth and water resource requirements. In irrigated agricultural lands, satellite observations indicate high vegetation density while the precipitation amount indicates otherwise. This inconsistency between the observed precipitation and the observed canopy leaf density triggers the possibility that the observed high leaf density is due to an alternate source of water, irrigation. We explore an inverse process approach using observations from the Moderate Resolution Imaging Spectroradiometer (MODIS), climatological data, and the NASA's Simple Biosphere model, SiB2, to quantitatively assess water demand in a semi-arid agricultural land by constraining the carbon and water cycles modeled under both equilibrium (balance between vegetation and prevailing local climate) and nonequilibrium (water added through irrigation) conditions. We postulate that the degree to which irrigated lands vary from equilibrium conditions is related to the amount of irrigation water used. We added water using two distribution methods: The first method adds water on top of the canopy and is a proxy for the traditional spray irrigation. The second method allows water to be applied directly into the soil layer and serves as proxy for drip irrigation. Our approach indicates that over the study site, for the month of July, spray irrigation resulted in an irrigation amount of about 1.4 mm per occurrence with an average frequency of occurrence of 24.6 hours. The simulated total monthly irrigation for July was 34.85 mm. In contrast, the drip irrigation resulted in less frequent irrigation events with an average water requirement about 57% less than that simulated during the spray irrigation case. The efficiency of the drip irrigation method rests on its reduction of the canopy interception loss compared to the spray irrigation method. When compared to a country-wide average estimate of irrigation water use, our numbers are quite low. We would have to revise the reported country level estimates downward to 17% or less

Bounoua, L.↗

Topology Hierarchy of Transition Metal Dichalcogenides Built from Quantum Spin Hall Layers

The evolution of the physical properties of 2D material from monolayer limit to the bulk reveals unique consequences from dimension confinement and provides a distinct tuning knob for applications. Monolayer 1T'-phase transition metal dichalcogenides (1T'-TMDs) with ubiquitous quantum spin Hall (QSH) states are ideal 2D building blocks of various 3D topological phases. However, the stacking geometry has been previously limited to the bulk 1T'-WTe 2 type. Here, the novel 2M-TMDs consisting of translationally stacked 1T'-monolayers are introduced as promising material platforms with tunable inverted bandgaps and interlayer coupling. By performing advanced polarization-dependent angle-resolved photoemission spectroscopy as well as first-principles calculations on the electronic structure of 2M-TMDs, a topology hierarchy is revealed: 2M-WSe 2 , MoS 2 , and MoSe 2 are weak topological insulators (WTIs), whereas 2M-WS 2 is a strong topological insulator (STI). Further demonstration of topological phase transitions by tunning interlayer distance indicates that band inversion amplitude and interlayer coupling jointly determine different topological states in 2M-TMDs. Finally, it is proposed that 2M-TMDs are parent compounds of various exotic phases including topological superconductors and promise great application potentials in quantum electronics due to their flexibility in patterning with 2D materials.

36 MATERIALS SCIENCE↗

Elucidation of puzzling questions regarding the CrO x /Al 2 O 3 catalyst I. X-ray absorption spectroscopy aided identification of the nature of the chromium oxide species in the CrO x /Al 2 O 3 dehydrogenation catalyst system

The CATOFIN© process produces propylene from propane using a CrO x /Al 2 O 3 catalyst. Despite its use, there are still uncertainties surrounding the nature of Cr species formed during synthesis, regeneration, and aging. It has been observed that ppm levels of Cr 2 O 3 can be oxidized to Cr(VI) in air; however, when Cr 2 O 3 is in direct contact with Al 2 O 3 , Cr(VI) formation increased more than 100-fold. Here, to confirm physical contact between Cr 2 O 3 and Al 2 O 3 results in increased Cr(VI) formation, Cr 2 O 3 and Cr 2 O 3 /Al 2 O 3 samples were synthesized, calcined, and characterized. Catalytic activity measurements confirm propylene selectivity inversely tracks with Cr(VI). Wet chemical titration and X-ray absorption spectroscopy (XAS) quantified and determined the structure of the Cr(VI) species. FEFF X-ray absorption near edge structure simulations determined the potential sensitivity of the XAS to the presence of Al 3+ /Cr 3+ neighboring atoms. XAS correlated to FEFF simulations suggested that Al 3+ x Cr 3+ 2–x Cr 6+ 3 O 12 comprises a significant fraction of the Cr(VI) species formed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of 17 N as a time-tagged neutron source for calibration of large antineutrino detectors

Large antineutrino detectors hold the potential for remote nuclear reactor monitoring and discovery, which is of great interest for nonproliferation and treaty verification applications. Correlated-particle calibration sources are especially useful for large-volume designs based on detection of inverse beta-decay events, as the timing information of the coincident particles improves background rejection and event reconstruction. 17 N is a promising calibration source since it emits beta-correlated delayed neutrons and can be produced relatively easily using high-energy neutrons. In this work, we examine the feasibility of 17 N as a time-tagged calibration source for large antineutrino detectors. 17 N was produced using a DT neutron generator from a water sample enriched in 17 O, and the observed production rates were found to be consistent with previous measurements of the 17 O(n,p) 17 N reaction cross-section. As a result, time-tagging of 17 N delayed neutrons is demonstrated via beta-neutron coincidence measurements conducted using a specialized beta detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Ferrorotational domain walls revealed by electric quadrupole second harmonic generation microscopy

Domain walls are ubiquitous in materials that undergo phase transitions driven by spontaneous symmetry breaking. Domain walls in ferroics and multiferroics have received tremendous attention recently due to their emergent properties distinct from their domain counterparts—for example, their high mobility and controllability, as well as their potential applications in nanoelectronics. However, it is extremely challenging to detect, visualize, and study the ferrorotational (FR) domain walls because the FR order, in contrast to ferromagnetism and ferroelectricity, is invariant under both the spatial-inversion and the time-reversal operations and, thus, hardly couple with conventional experimental probes. Here, a FR candidate NiTi⁢O 3 is investigated by ultrasensitive electric quadrupole (EQ) second-harmonic generation rotational anisotropy (SHG RA) to probe the point symmetries of the two degenerate FR domain states, showing their relation by the vertical mirror operations that are broken below the FR critical temperature. We then visualize the real-space FR domains by scanning EQ SHG microscopy, and further, resolve the FR domain walls by revealing a suppressed SHG intensity at the domain walls. By taking local EQ SHG RA measurements, we show the restoration of the mirror symmetry at FR domain walls and prove their unconventional nonpolar nature. In conclusion, our findings not only provide a comprehensive insight into FR domain walls, but also demonstrate a unique and powerful tool for future studies on domain walls of unconventional ferroics both of which pave the way towards future manipulations and applications of FR domain walls.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A chiral switchable photovoltaic ferroelectric 1D perovskite

Spin and valley degrees of freedom in materials without inversion symmetry promise previously unknown device functionalities, such as spin-valleytronics. Control of material symmetry with electric fields (ferroelectricity), while breaking additional symmetries, including mirror symmetry, could yield phenomena where chirality, spin, valley, and crystal potential are strongly coupled. Here we report the synthesis of a halide perovskite semiconductor that is simultaneously photoferroelectricity switchable and chiral. Spectroscopic and structural analysis, and first-principles calculations, determine the material to be a previously unknown low-dimensional hybrid perovskite (R)-(-)-1-cyclohexylethylammonium/(S)-(+)-1 cyclohexylethylammonium) PbI 3 . Optical and electrical measurements characterize its semiconducting, ferroelectric, switchable pyroelectricity and switchable photoferroelectric properties. Temperature dependent structural, dielectric and transport measurements reveal a ferroelectric-paraelectric phase transition. Circular dichroism spectroscopy confirms its chirality. The development of a material with such a combination of these properties will facilitate the exploration of phenomena such as electric field and chiral enantiomer–dependent Rashba-Dresselhaus splitting and circular photogalvanic effects

36 MATERIALS SCIENCE↗

Three-Dimensional Aerodynamics and Vortex-Shedding Characteristics of Wind Turbine Airfoils over 360-Degree Angles of Attack

In this work, we present the first three-dimensional (3D) computational investigation of wind turbine airfoils over 360° angles of attack to predict unsteady aerodynamic loads and vortex-shedding characteristics. To this end, static–airfoil simulations are performed for the FFA-W3 airfoil family at a Reynolds number of 107 with the Improved Delayed Detached Eddy Simulation turbulence model. Aerodynamic forces reveal that the onset of boundary-layer instabilities and flow separation does not necessarily coincide with the onset of stall. In addition, a comparison with two-dimensional simulation data and flat plate theory extension of airfoil polars, suggest that, in the deep stall regime, 3D effects remain critical for predicting both the unsteady loads and the vortex-shedding dynamics. For all airfoils, the vortex-shedding frequencies are found to be inversely proportional to the wake width. In the case of slender airfoils, the frequencies are nearly independent of the airfoil thickness, and their corresponding Strouhal number St is approximately 0.15. Based on the calculated St, the potential for shedding frequencies to coincide with the natural frequencies of the International Energy Agency 15 MW reference wind turbine blades is investigated. The analysis shows that vortex-induced vibrations occur primarily at angles of attack of around ±90° for all airfoils.

17 WIND ENERGY↗

Towards Intelligent Control for Next Generation Aircraft

NASA Aeronautics Subsonic Fixed Wing Project is focused on mitigating the environmental and operation impacts expected as aviation operations triple by 2025. The approach is to extend technological capabilities and explore novel civil transport configurations that reduce noise, emissions, fuel consumption and field length. Two Next Generation (NextGen) aircraft have been identified to meet the Subsonic Fixed Wing Project goals - these are the Hybrid Wing-Body (HWB) and Cruise Efficient Short Take-Off and Landing (CESTOL) aircraft. The technologies and concepts developed for these aircraft complicate the vehicle s design and operation. In this paper, flight control challenges for NextGen aircraft are described. The objective of this paper is to examine the potential of state-of-the-art control architectures and algorithms to meet the challenges and needed performance metrics for NextGen flight control. A broad range of conventional and intelligent control approaches are considered, including dynamic inversion control, integrated flight-propulsion control, control allocation, adaptive dynamic inversion control, data-based predictive control and reinforcement learning control.

Acosta, Diana Michelle↗

Detecting Trend and Seasonal Changes in Bathymetry Derived from HICO Imagery: A Case Study of Shark Bay, Western Australia

The Hyperspectral Imager for the Coastal Ocean (HICO) aboard the International Space Station has offered for the first time a dedicated space-borne hyperspectral sensor specifically designed for remote sensing of the coastal environment. However, several processing steps are required to convert calibrated top-of-atmosphere radiances to the desired geophysical parameter(s). These steps add various amounts of uncertainty that can cumulatively render the geophysical parameter imprecise and potentially unusable if the objective is to analyze trends and/or seasonal variability. This research presented here has focused on: (1) atmospheric correction of HICO imagery; (2) retrieval of bathymetry using an improved implementation of a shallowwater inversion algorithm; (3) propagation of uncertainty due to environmental noise through the bathymetry retrieval process; (4) issues relating to consistent geo-location of HICO imagery necessary for time series analysis, and; (5) tide height corrections of the retrieved bathymetric dataset. The underlying question of whether a temporal change in depth is detectable above uncertainty is also addressed. To this end, nine HICO images spanning November 2011 to August 2012, over the Shark Bay World Heritage Area, Western Australia, were examined. The results presented indicate that precision of the bathymetric retrievals is dependent on the shallow water inversion algorithm used.Within this study, an average of 70% of pixels for the entire HICO-derived bathymetry dataset achieved a relative uncertainty of less than +/-20%. A per-pixel t-test analysis between derived bathymetry images at successive timestamps revealed observable changes in depth to as lowas 0.4 m. However, the present geolocation accuracy of HICO is relatively poor and needs further improvements before extensive time series analysis can be performed.

Geolocations accuracy↗

Biogeochemical Equilibrium Responses to Maximal Productivity in High Nutrient Low Chlorophyll Regions

Whether ocean iron fertilization in high nutrient low chlorophyll (HNLC) regions is a practical geoengineering strategy to combat climate warming has been debated because the fate of absorbed carbon by the ocean remains unclear. Here, we use an optimized oceanic biogeochemical inverse model to explore the equilibrium responses to increased productivity in major HNLC regions. We find that an overall downward shift of nutrients and carbon from the surface and intermediate to the deep waters with maximal productivity in the HNLC Southern Ocean (SO), North Pacific (NP) and eastern equatorial Pacific (EP). The efficiency of soft tissue pump is increased by 37.8%, 2.7% and 5.4% in the SO, EP and NP simulation while atmospheric CO 2 concentration is drawn down by 45.1, 3.4 and 6.7 ppm, respectively. Meanwhile, global mean oxygen is decreased by 21.1%, 1.3% and 2.4% in the SO, EP and NP simulation, accompanied by an expansion of oxygen minimum zones by 400%, 26% and 63%, respectively. Our study indicates that iron fertilization has the potential to be an effective geoengineering approach to mitigate climate warming but also has a strong impact on the development of ocean hypoxia.

59 BASIC BIOLOGICAL SCIENCES↗

Time-resolved site-selective imaging of predissociation and charge transfer dynamics: the CH 3 I B-band

The predissociation dynamics of the 6s (B 2 E) Rydberg state of gas-phase CH 3 I were investigated by time-resolved Coulomb-explosion imaging using extreme ultraviolet (XUV) free-electron laser pulses. Inner-shell ionization at the iodine 4d edge was utilized to provide a site-specific probe of the ensuing dynamics. The combination of a velocity-map imaging (VMI) spectrometer coupled with the pixel imaging mass spectrometry (PImMS) camera permitted three-dimensional ionic fragment momenta to be recorded simultaneously for a wide range of iodine charge states. In accord with previous studies, initial excitation at 201.2 nm results in internal conversion and subsequent dissociation on the lower-lying A-state surface on a picosecond time scale. Examination of the time-dependent yield of low kinetic energy iodine fragments yields mechanistic insights into the predissociation and subsequent charge transfer following multiple ionization of the iodine products. The effect of charge transfer was observed through differing delay-dependencies of the various iodine charge states, from which critical internuclear distances for charge transfer could be inferred and compared to a classical over-the-barrier model. Time-dependent photofragment angular anisotropy parameters were extracted from the central slice of the Newton sphere, without Abel inversion, and highlight the effect of rotation of the parent molecule before dissociation, as observed in previous works. Our results demonstrate the ability to perform three-dimensional ion imaging at high event rates and showcase the potential benefits of this approach, particularly in relation to further time-resolved studies at free-electron laser facilities.

74 ATOMIC AND MOLECULAR PHYSICS↗

Modular chip-integrated photonic control of artificial atoms in diamond waveguides

A central goal in creating long-distance quantum networks and distributed quantum computing is the development of interconnected and individually controlled qubit nodes. Atom-like emitters in diamond have emerged as a leading system for optically networked quantum memories, motivating the development of visible-spectrum, multi-channel photonic integrated circuit (PIC) systems for scalable atom control. However, it has remained an open challenge to realize optical programmability with a qubit layer that can achieve high optical detection probability over many optical channels. Here, we address this problem by introducing a modular architecture of piezoelectrically actuated atom-control PICs (APICs) and artificial atoms embedded in diamond nanostructures designed for high-efficiency free-space collection. The high-speed four-channel APIC is based on a splitting tree mesh with triple-phase shifter Mach–Zehnder interferometers. This design simultaneously achieves optically broadband operation at visible wavelengths, high-fidelity switching (>40dB) at low voltages, submicrosecond modulation timescales (>30MHz), and minimal channel-to-channel crosstalk for repeatable optical pulse carving. Via a reconfigurable free-space interconnect, we use the APIC to address single silicon vacancy color centers in individual diamond waveguides with inverse tapered couplers, achieving efficient single photon detection probabilities (∼15%) and second-order autocorrelation measurements g (2) (0)<0.14 for all channels. The modularity of this distributed APIC–quantum memory system simplifies the quantum control problem, potentially enabling further scaling to thousands of channels.

47 OTHER INSTRUMENTATION↗

Scaling of cross sections for K-electron capture by high-energy protons and alpha-particles from the multielectron atoms

Electron capture by protons from H, He, and the K-shell of Ar, and alpha particles from He are considered. It is shown that when a certain function of the experimental cross sections is plotted versus the inverse of the collision energy, at high energies the function falls on a straight line. At lower energies the function concaves up or down, depending on the charge of the projectile, the effective charge and the ionization potential of the electron that is being captured. The plot can be used to predict cross sections where experimental data are not available, and as a guide in future experiments. High energy scaling formulas for K-electron capture by low-charge projectiles are given.

Omidvar, K.↗

Scaling of cross sections for K-electron capture by high-energy protons and alpha-particles from the multielectron atoms

Electron capture by protons from H, He, and the K shell of Ar, and electron capture by alpha particles from He are considered. Using the experimental data, a function of the capture cross section is formed. It is shown that when this function is plotted versus the inverse of the collision energies, at high energies a straight line is obtained. At lower energies the line is concave up or down, depending on the charge of the projectile and/or the effective charge and the ionization potential of the electron that is being captured. The plot can be used to predict cross sections where experimental data are not available, and as a guide in future experiments. High-energy scaling formulas for K-electron capture by low-charge projectiles are given.

Omidvar, K.↗