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At least 163 records · Page 9

CHANGO: A Software Tool for Boost Stage Guidance of the Space Launch System Exploration Mission 1

The Day of Launch Initiation Load Update (DOLILU) System is the means by which the Space Launch System (SLS) Vehicle trajectory is designed, verified, and uploaded on the Day of Launch (DOL) in order to ensure a safe flight. Launch vehicles are designed to fly down a narrow angle of attack and sideslip angle corridor in order to keep them within structural load limits. The angle of attack and sideslip angle response to the launch vehicle experiences can vary significantly based upon the winds experienced on the DOL. SLS Boost Stage flight employs an open-loop guidance scheme through Solid Rocket Booster (SRB) separation. In the SLS open-loop scheme, the vehicle will fly a prescribed set of attitudes as a function of the change in altitude since launch. This set of reference attitude values and corresponding altitude reference independent values are designed with ground software using winds measured on the DOL with the goal of minimizing angle of attack and sideslip angle, thereby minimizing related ascent integrated vehicle structural loads. The table of Boost Stage attitude commands as a function of altitude gained since launch is called the chi table. A software tool called CHANGO (Chi Angle Optimizer) designs the Boost Stage chi table which is uploaded to the vehicle’s flight computer and used during ascent by the flight software (FSW). The wind and atmospheric conditions are measured prior to launch and pre-processed to become input to the CHANGO software along with a set of parameters developed in advance of the DOL. CHANGO’s target set consists of the heading and altitude rate at SRB separation determined well before launch by the Program to Optimize Simulated Trajectories (POST). CHANGO consists of a simplified three degree-of-freedom (3-DOF) simulation representing the SLS launch configuration. In general, the launch azimuth is strongly correlated with the heading at SRB separation, and the initial pitchover rate is strongly correlated with the altitude rate at SRB separation. CHANGO uses an adaptation of Powell’s method to vary the initial pitchover rate and launch azimuth to solve a 2-dimentional minimization problem. CHANGO’s trajectory simulation is phase-based, with flight events separating the phases. Each flight phase has different attitude alignment logic. CHANGO’s 3-DOF simulation starts when the vehicle’s thrust-to-weight ratio equals one, and ends at a pre-calculated SRB separation time.

Ahmad, Naeem↗

Multiple Slater Determinants and Strong Spin-Fluctuations as Key Ingredients of the Electronic Structure of Electron- and Hole-Doped Pb 10− x Cu x (PO 4 ) 6 O

LK-99, with chemical formula Pb 10−x Cu x (PO 4 ) 6 O, was recently reported to be a room-temperature superconductor. While this claim has met with little support in a flurry of ensuing work, a variety of calculations (mostly based on density-functional theory) have demonstrated that the system possesses some unusual characteristics in the electronic structure, in particular flat bands. We have established previously that within DFT, the system is insulating with many characteristics resembling the classic cuprates, provided the structure is not constrained to the P3(143) symmetry nominally assigned to it. Here we describe the basic electronic structure of LK-99 within self-consistent many-body perturbative approach, quasiparticle self-consistent GW (QSGW) approximation and their diagrammatic extensions. QSGW predicts that pristine LK-99 is indeed a Mott/charge transfer insulator, with a bandgap gap in excess of 3 eV, whether or not constrained to the P3(143) symmetry. When Pb 9 Cu(PO 4 ) 6 O is hole-doped, the valence bands modify only slightly, and a hole pocket appears. However, two solutions emerge: a high-moment solution with the Cu local moment aligned parallel to neighbors, and a low-moment solution with Cu aligned antiparallel to its environment. In the electron-doped case the conduction band structure changes significantly: states of mostly Pb character merge with the formerly dispersionless Cu d state, and high-spin and low spin solutions once again appear. Thus we conclude that with suitable doping, the ground state of the system is not adequately described by a band picture, and that strong correlations are likely. Irrespective of whether this system class hosts superconductivity or not, the transition of Pb 10 (PO 4 ) 6 O from being a band insulator to Pb 9 Cu(PO 4 ) 6 O, a Mott insulator, and multi-determinantal nature of doped Mott physics make this an extremely interesting case-study for strongly correlated many-body physics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hund's coupling assisted orbital-selective superconductivity in Ba1-xKxFe2As2

While the superconducting transition temperature of hole-doped Ba_{1-x}K_{x}Fe_{2}As_{2} decreases past optimal doping, superconductivity does not completely disappear even for the fully doped KFe_{2}As_{2} compound. In fact, superconductivity is robust through a Lifshitz transition where electron bands become hole-like around the zone corner at around x=0.7, thus challenging the conventional understanding of superconductivity in iron-based systems. High-resolution angle-resolved photoemission spectroscopy is used to investigate the superconducting gap structure, as well as the normal state electronic structure, around optimal doping and across the Lifshitz transition. Our findings reveal a largely orbital-dependent superconducting gap structure, where the more strongly correlated d_{xy} band has a vanishing superconducting gap at higher doping, aligning with the Hund's metal behavior observed in the normal state. Notably, the superconducting gap on the d_{xy} band disappears before the Lifshitz transition, suggesting that the Fermi surface topology may play a secondary role. We discuss how these results point to orbital-selective superconducting pairing and how strong correlations via Hund's coupling may shape superconducting gap structures in iron-based and other multiorbital superconductors.

FOS: Physical sciences↗

Exploring the scaling limitations of the variational quantum eigensolver with the bond dissociation of hydride diatomic molecules

Abstract Materials simulations involving strongly correlated electrons pose fundamental challenges to state‐of‐the‐art electronic structure methods but are hypothesized to be the ideal use case for quantum computing algorithms. To date, no quantum computer has simulated a molecule of a size and complexity relevant to real‐world applications, despite the fact that the variational quantum eigensolver (VQE) algorithm can predict chemically accurate total energies. Nevertheless, because of the many applications of moderately sized, strongly correlated systems, such as molecular catalysts, the successful use of the VQE stands as an important waypoint in the advancement toward useful chemical modeling on near‐term quantum processors. In this paper, we take a significant step in this direction. We lay out the steps, write, and run parallel code for an (emulated) quantum computer to compute the bond dissociation curves of the TiH, LiH, NaH, and KH diatomic hydride molecules using the VQE. TiH was chosen as a relatively simple chemical system that incorporates d orbitals and strong electron correlation. Because current VQE implementations on existing quantum hardware are limited by qubit error rates, the number of qubits available, and the allowable gate depth, recent studies using it have focused on chemical systems involving s and p block elements. Through VQE + UCCSD calculations of TiH, we evaluate the near‐term feasibility of modeling a molecule with d‐orbitals on real quantum hardware. We demonstrate that the inclusion of d‐orbitals and the use of the UCCSD ansatz, which are both necessary to capture the correct TiH physics, dramatically increase the cost of this problem. We estimate the approximate error rates necessary to model TiH on current quantum computing hardware using VQE + UCCSD and show them to likely be prohibitive until significant improvements in hardware and error correction algorithms are available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

tih_vqe [SWR-23-32]

This software supports the paper, "Exploring the scaling limitations of the variational quantum eigensolver with the bond dissociation of hydride diatomic molecules," published in the International Journal of Quantum Chemistry, whose abstract is as follows: Materials simulations involving strongly correlated electrons pose fundamental challenges to state-of-the-art electronic structure methods but are hypothesized to be the ideal use case for quantum computing. To date, no quantum computer has simulated a molecule of a size and complexity relevant to real-world applications, despite the fact that the variational quantum eigensolver (VQE) algorithm can predict chemically accurate total energies. Nevertheless, because of the many applications of moderately-sized, strongly correlated systems, such as molecular catalysts, the successful use of the VQE stands as an important waypoint in the advancement toward useful chemical modeling on near-term quantum processors. In this paper, we take a significant step in this direction. We lay out the steps, write, and run parallel code for an (emulated) quantum computer to compute the bond dissociation curves of the TiH, LiH, NaH, and KH diatomic hydride molecules using VQE. TiH was chosen as a relatively simple chemical system that incorporates d orbitals and strong electron correlation. Because current VQE implementations on existing quantum hardware are limited by qubit error rates, the number of qubits available, and the allowable gate depth, recent studies have focused on chemical systems involving s and p block elements. Through VQE + UCCSD calculations of TiH, we evaluate the near-term feasibility of modeling a molecule with d-orbitals on real quantum hardware. We demonstrate that the inclusion of d-orbitals and the use of the UCCSD ansatz, which are both necessary to capture the correct TiH physics, dramatically increase the cost of this problem. We estimate the approximate error rates necessary to model TiH on current quantum computing hardware using VQE+UCCSD and show them to likely be prohibitive until significant improvements in hardware and error correction algorithms are available.

Graf, Peter↗

Probing the Critical Nucleus Size in the Metal-Insulator Phase Transition of VO 2

In a first-order phase transition, critical nucleus size governs nucleation kinetics, but the direct experimental test of the theory and determination of the critical nucleation size have been achieved only recently in the case of ice formation in supercooled water. The widely known metal-insulator phase transition (MIT) in strongly correlated VO 2 is a first-order electronic phase transition coupled with a solid-solid structural transformation. It is unclear whether classical nucleation theory applies in such a complex case. Here we directly measure the critical nucleus size of the MIT by introducing size-controlled nanoscale nucleation seeds with focused ion irradiation at the surface of a deeply supercooled metal phase of VO 2 . The results compare favorably with classical nucleation theory and are further explained by phase-field modeling. This Letter validates the application of classical nucleation theory as a parametrizable model to describe phase transitions of strongly correlated electron materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Assessing precipitation, evapotranspiration, and NDVI as controls of US Great Plains plant production

Productivity throughout the North American Great Plains grasslands is generally considered to be water limited, with the strength of this limitation increasing as precipitation decreases. We hypothesize that cumulative actual evapotranspiration water loss (AET) from April to July is the precipitation-related variable most correlated to aboveground net primary production (ANPP) in the U.S. Great Plains (GP). We tested this by evaluating the relationship of ANPP to AET, precipitation, and plant transpiration (Tr). We used multi-year ANPP data from five sites ranging from semiarid grasslands in Colorado and Wyoming to mesic grasslands in Nebraska and Kansas, mean annual NRCS ANPP, and satellite-derived normalized difference vegetation index (NDVI) data. Results from the five sites showed that cumulative April-to-July AET, precipitation, and Tr were well correlated (R2: 0.54–0.70) to annual changes in ANPP for all but the wettest site. AET and Tr were better correlated to annual changes in ANPP compared to precipitation for the drier sites, and precipitation in August and September had little impact on productivity in drier sites. April-to-July cumulative precipitation was best correlated (R2 = 0.63) with interannual variability in ANPP in the most mesic site, while AET and Tr were poorly correlated with ANPP at this site. Cumulative growing season (May-to-September) NDVI (iNDVI) was strongly correlated with annual ANPP at the five sites (R2 = 0.90). Using iNDVI as a surrogate for ANPP, we found that county-level cumulative April–July AET was more strongly correlated to ANPP than precipitation for more than 80% of the GP counties, with precipitation tending to perform better in the eastern more mesic portion of the GP. Including the ratio of AET to potential evapotranspiration (PET) improved the correlation of AET to both iNDVI and mean county-level NRCS ANPP. Accounting for how different precipitation-related variables control ANPP (AET in drier portion, precipitation in wetter portion) provides opportunity to develop spatially explicit forecasting of ANPP across the GP for enhancing decision-making by land managers and use of grassland ANPP for biofuels.

Maosi Chen↗

Spherical disharmonics in the Earth sciences and the spatial solution: Ridges, hotspots, slabs, geochemistry and tomography correlations

There is increasing use of statistical correlations between geophysical fields and between geochemical and geophysical fields in attempts to understand how the Earth works. Typically, such correlations have been based on spherical harmonic expansions. The expression of functions on the sphere as spherical harmonic series has many pitfalls, especially if the data are nonuniformly and/or sparsely sampled. Many of the difficulties involved in the use of spherical harmonic expansion techniques can be avoided through the use of spatial domain correlations, but this introduces other complications, such as the choice of a sampling lattice. Additionally, many geophysical and geochemical fields fail to satisfy the assumptions of standard statistical significance tests. This is especially problematic when the data values to be correlated with a geophysical field were collected at sample locations which themselves correlate with that field. This paper examines many correlations which have been claimed in the past between geochemistry and mantle tomography and between hotspot, ridge, and slab locations and tomography using both spherical harmonic coefficient correlations and spatial domain correlations. No conclusively significant correlations are found between isotopic geochemistry and mantle tomography. The Crough and Jurdy (short) hotspot location list shows statistically significant correlation with lowermost mantle tomography for degree 2 of the spherical harmonic expansion, but there are no statistically significant correlations in the spatial case. The Vogt (long) hotspot location list does not correlate with tomography anywhere in the mantle using either technique. Both hotspot lists show a strong correlation between hotspot locations and geoid highs when spatially correlated, but no correlations are revealed by spherical harmonic techniques. Ridge locations do not show any statistically significant correlations with tomography, slab locations, or the geoid; the strongest correlation is with lowermost mantle tomography, which is probably spurious. The most striking correlations are between mantle tomography and post-Pangean subducted slabs. The integrated locations of slabs correlate strongly with fast areas near the transition zone and the core-mantle boundary and with slow regions from 1022-1248 km depth. This seems to be consistent with the 'avalanching' downwellings which have been indicated by models of the mantle which include an endothermic phase transition at the 670-km discontinuity, although this is not a unique interpretation. Taken as a whole, these results suggest that slabs and associated cold downwellings are the dominant feature of mantle convection. Hotspot locations are no better correlated with lower mantle tomography than are ridge locations.

Ray, Terrill W.↗

Twisted bilayers of thin film magnetic topological insulators

Twisted bilayer graphene (TBG) near "magic angles" has emerged as a rich platform for strongly correlated states of two-dimensional (2D) Dirac semimetals. Here we show that twisted bilayers of thin film magnetic topological insulators (MTIs) with large in-plane magnetization can realize flat bands near 2D Dirac nodes. Using a simple model for thin films of MTIs, we derive a continuum model for two such MTIs, twisted by a small angle with respect to each other. When the magnetization is in plane, we show that interlayer tunneling terms act as effective SU (2) vector potentials, which are known to lead to flat bands in TBG. We show that by changing the in-plane magnetization, it is possible to tune the twisted bilayer MTI band dispersion to quadratic band touching or to flat bands, similar to the TBG. If realized, this system can be a highly tunable platform for strongly correlated phases of two-dimensional Dirac semimetals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Comparison of Magnetic Fields from a New Satellite Magnetic Model of the Lithosphere with Magnetic Fields Predicted from Crust 1.0

Both magnetic and seismic techniques can provide information about the Moho (Mohorovicic discontinuity). We develop a new technique that provides a better estimate of the magnetic thickness of the crust, as compared with previous approaches. It uses prior knowledge from seismology (Crust 1.0), a new high-degree model from CHAMP (CHAllenging Mini-satellite Payload) and Swarm (LCS-1 - a model of Earth's lithospheric field) and a newly developed technique. The technique is appropriate for regions where induced magnetization dominates over remanent magnetization. We compare the predictions from LCS-1 with those from Crust 1.0, with some simple assumptions, and find that the correlations increase until about spherical harmonic degree 30, and then decrease globally. Spatially, the correlations between the seismic and magnetic techniques are strongest over North America and Australia, and weakest over South America and northern Africa. Strong correlations also exist between the two approaches over the Antarctic, northern Europe, and Greenland. While we might expect the seismic and magnetic approaches to correlate over well-characterized regions (i.e. North America), and show weaker correlations over poorly-characterized regions (i.e. South America and north Africa), the strong correlation in the Antarctic and Greenland is puzzling, because both of these regions are poorly-characterized. We discuss some possible explanations, and implications, of this attempt to correlate seismic and magnetic approaches to characterizing the lithosphere.

Seismic↗

Semimajor Axis Estimation Strategies

This paper extends previous analysis on the impact of sensing noise for the navigation and control aspects of formation flying spacecraft. We analyze the use of Carrier-phase Differential GPS (CDGPS) in relative navigation filters, with a particular focus on the filter correlation coefficient. This work was motivated by previous publications which suggested that a "good" navigation filter would have a strong correlation (i.e., coefficient near -1) to reduce the semimajor axis (SMA) error, and therefore, the overall fuel use. However, practical experience with CDGPS-based filters has shown this strong correlation seldom occurs (typical correlations approx. -0.1), even when the estimation accuracies are very good. We derive an analytic estimate of the filter correlation coefficient and demonstrate that, for the process and sensor noises levels expected with CDGPS, the expected value will be very low. It is also demonstrated that this correlation can be improved by increasing the time step of the discrete Kalman filter, but since the balance condition is not satisfied, the SMA error also increases. These observations are verified with several linear simulations. The combination of these simulations and analysis provide new insights on the crucial role of the process noise in determining the semimajor axis knowledge.

How, Jonathan P.↗

Mott and generalized Wigner crystal states in WSe 2 /WS 2 moiré superlattices

Moiré superlattices can be used to engineer strongly correlated electronic states in two-dimensional van der Waals heterostructures, as recently demonstrated in the correlated insulating and superconducting states observed in magic-angle twisted-bilayer graphene and ABC trilayer graphene/boron nitride moiré superlattices. Transition metal dichalcogenide moiré heterostructures provide another model system for the study of correlated quantum phenomena because of their strong light–matter interactions and large spin–orbit coupling. However, experimental observation of correlated insulating states in this system is challenging with traditional transport techniques. Here we report the optical detection of strongly correlated phases in semiconducting WSe 2 /WS 2 moiré superlattices. We use a sensitive optical detection technique and reveal a Mott insulator state at one hole per superlattice site and surprising insulating phases at 1/3 and 2/3 filling of the superlattice, which we assign to generalized Wigner crystallization on the underlying lattice. Furthermore, the spin–valley optical selection rules of transition metal dichalcogenide heterostructures allow us to optically create and investigate low-energy excited spin states in the Mott insulator. We measure a very long spin relaxation lifetime of many microseconds in the Mott insulating state, orders of magnitude longer than that of charge excitations. Here, our studies highlight the value of using moiré superlattices beyond graphene to explore correlated physics.

36 MATERIALS SCIENCE↗

Strange Metal in Magic-Angle Graphene with near Planckian Dissipation

Recent experiments on magic-angle twisted bilayer graphene have discovered correlated insulating behavior and superconductivity at a fractional filling of an isolated narrow band. Here we show that magic-angle bilayer graphene exhibits another hallmark of strongly correlated systems—a broad regime of $\textit{T{$-linear resistivity above a small density-dependent crossover temperature—for a range of fillings near the correlated insulator. This behavior is reminiscent of similar behavior in other strongly correlated systems, often denoted “strange metals,” such as cuprates, iron pnictides, ruthenates, and cobaltates, where the observations are at odds with expectations in a weakly interacting Fermi liquid. We also extract a transport “scattering rate,” which satisfies a near Planckian form that is universally related to the ratio of $(k_{\text{B}}T/ℏ)$. In this work, our results establish magic-angle bilayer graphene as a highly tunable platform to investigate strange metal behavior, which could shed light on this mysterious ubiquitous phase of correlated matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Microanalysis of dissolved iron and phosphate in pore waters of hypersaline sediment

Diurnal fluctuations of reduced iron concentrations, expected to occur in reduced sediments in the photic zone, were studied. Iron concentration was compared to O2-H2S, a microcanalysis of sulfate reduction was performed, as well as an examination of diurnal concentration of dissolved phosphate and changes in interstitial CO2. The iron profiles suggest a strong correlation between iron remobilization and processes occurring in the light. Phosphate profiles suggest the removal of phosphate is strongly correlated with precipitation of oxidized iron in the upper 2 mm to 5 mm of the sediments. Pore water CO2 concentrations and carbon isotope ratios are presented. These data are from the analyses of minisediment cores collected from the 42 per mil salt pond and incubated in the laboratory under light and dark conditions.

Haddad, R.↗

CME Prediction from Line-of-Sight Magnetogram

We have previously shown for bipolar active regions that measures of active-region nonpotentiality from vector magnetograms are correlated with active-region CME productivity. We have now obtained a measure from line-of-sight magnetograms that is well correlated both with our measures of active-region nonpotentiality from vector magnetograms and with active-region CME productivity. The measure is the length of strong-gradient main neutral line (L(sub G)). This is the length of the bipolar region's main neutral line on which the potential transverse field is greater than 150G, and the gradient in the line-of-sight field is greater than 50G/Mm. From the sample of 17 MSFC magnetograms of 12 basically bipolar active regions used in our previous paper, we find that L(sub G) is strongly correlated with one of our vector-magnetogram measures of nonpotentiality, the length of strong-gradient main neutral line L(sub SS) (99.7%). We also find that L(sub G) is as strongly correlated with CME productivity (99.7%) as is L(sub SS). Being obtainable from line-of-sight magnetograms, L(sub G) makes the much larger data set of line-of-sight magnetograms (i.e. from SOHO/MDI and Kitt Peak) available for CME prediction study. This is especially important for evolutionary studies, with SOHO/MDI having no daylight, cloudy weather, or atmospheric seeing problems. This work was supported by funding from NSF's division of Atmospheric Sciences (Space Weather and Shine Programs) and by NASA's office of Space Science (Living with a Star program Solar and Heliospheric Physics Supporting Research and Technology program).

Falconer, D. A.↗

Microscopic study of the coupled-wire construction and plausible realization in spin-dependent optical lattices

Coupled-wire constructions offer particularly simple and powerful models to capture the essence of strongly correlated topological phases of matter. They often rely on effective theories valid in the low-energy and strong-coupling limits, which impose severe constraints on the physical systems where they could be realized. In this work, we investigate the microscopic relevance of a class of coupled-wire models and their possible experimental realization in cold-atom experiments. We connect with earlier results and prove the emergence of fractional quantum Hall states in the limit of strong interwire tunneling. Contrary to previous studies relying on renormalization group arguments, our microscopic approach exposes the connection between coupled-wire constructions and model wave functions in continuum Landau levels. Then, we use exact-diagonalization methods to investigate the appearance of these fractional quantum Hall states in more realistic settings. We examine the parameter regimes where these strongly correlated phases arise, and provide a way to detect their appearance in cold-atom experiments through standard time-of-flight measurements. Motivated by this experimental probe, we finally propose a realization of our model with cold atoms in spin-dependent optical lattices. Our estimates show that the previous fractional quantum Hall phases lie within experimentally accessible parameter regimes, giving a viable route toward their experimental study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Intensive HST, RXTE, and ASCA Monitoring of NGC 3516: Evidence against Thermal Reprocessing

During 1998 April 1316, the bright, strongly variable Seyfert 1 galaxy NGC 3516 was monitored almost continuously with HST for 10.3 hr at ultraviolet wavelengths and 2.8 days at optical wavelengths, and simultaneous RXTE and ASCA monitoring covered the same period. The X-ray fluxes were strongly variable with the soft (0.5-2 keV) X-rays showing stronger variations (approx. 65% peak to peak) than the hard (2-10 keV) X-rays (approx. 50% peak to peak). The optical continuum showed much smaller but still highly significant variations: a slow approx. 2.5% rise followed by a faster approx. 3.5% decline. The short ultraviolet observation did not show significant variability. The soft and hard X-ray light curves were strongly correlated, with no evidence for a significant interband lag. Likewise, the optical continuum bands (3590 and 5510 A) were also strongly correlated, with no measurable lag, to 3(sigma) limits of approx. less than 0.15 day. However, the optical and X-ray light curves showed very different behavior, and no significant correlation or simple relationship could be found. These results appear difficult to reconcile with previous reports of correlations between X-ray and optical variations and of measurable lags within the optical band for some other Seyfert 1 galaxies. These results also present serious problems for "reprocessing" models in which the X-ray source heats a stratified accretion disk, which then reemits in the optical/ultraviolet : the synchronous variations within the optical would suggest that the emitting region is approx. less than 0.3 It-day across, while the lack of correlation between X-ray and optical variations would indicate, in the context of this model, that any reprocessing region must be approx. greater than 1 It-day in size. It may be possible to resolve this conflict by invoking anisotropic emission or special geometry, but the most natural explanation appears to be that the bulk of the optical luminosity is generated by some mechanism other than reprocessing.

Edelson, Rick↗