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At least 667 records · Page 37

Resistivity anisotropy of quantum Hall stripe phases

In this work, quantum Hall stripe phases near half-integer filling factors $\nu$ $\geqslant$ 9/2 were predicted by Hartree-Fock (HF) theory and confirmed by discoveries of giant resistance anisotropies in high-mobility two dimensional electron gases. A theory of such anisotropy was proposed by MacDonald and Fisher, although they used parameters whose dependencies on the filling factor, electron density, and mobility remained unspecified. Here, we fill this void by calculating the hard-to-easy resistivity ratio as a function of these three variables. Quantitative comparison with experiment yields very good agreement, which we view as evidence for the “plain vanilla” smectic stripe HF phases

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evaluating the potential for bird‐habitat models to support biodiversity‐friendly urban planning

Abstract Urban expansion poses a major threat to wildlife populations. Biodiversity‐friendly urban landscapes could deliver benefits for both wildlife and people, by incorporating conservation and ecosystem services objectives. Well‐designed urban developments could also soften the ecological impacts of urbanization. However, delivering urban landscapes that integrate biodiversity requirements effectively remains challenging. Ecological models, designed to predict wildlife population responses to alternative urban designs, could prove effective in supporting the creation of biodiversity‐friendly urban landscapes. Here, we combine national‐scale bird abundance data with high resolution, spatially explicit habitat data to characterize relationships between bird densities and urban landscape form in Britain. From these analyses and cross validation, we evaluate the potential for well‐parameterized, species‐specific models to be used to predict bird densities in novel or modified urban areas. Our analyses indicate that responses of bird abundance to urban habitat are species‐specific and complex, with few variables consistently affecting a large proportion of species. However, contiguous areas of greenspace within urban sites are preferential for accommodating breeding birds, compared to a more fragmented arrangement of multiple, small greenspace patches. In combination, the bird‐habitat relationships identified could successfully predict observed variation in abundance for most bird species considered. Further evaluation of habitat descriptor variables, spatial scales of species' habitat use and analytical modelling approaches may be needed to improve the predictive ability of bird‐habitat models for certain species, particularly waterbirds and those observed less frequently in urban areas. Synthesis and applications . We modelled breeding bird abundance in built‐up areas with respect to the characteristics and contexts of urban environments. While most variables were important for multiple species, responses overall were species‐specific, so simple assemblage metrics, like diversity, will not describe the variation in bird communities well. However, the results illustrate the potential of an evidence‐based, spatially explicit evaluation of urban development impacts on biodiversity, by predicting the consequences for bird numbers. Subject to verification of predictive ability, practitioners can apply the models to compare, for example, land‐sparing and sharing within developments, or to quantify the biodiversity requirements for effective offsetting. This would be facilitated by incorporation into an online tool allowing user‐determined input scenarios.

Plummer, Kate E.↗

Room-temperature skyrmion lattice in a layered magnet (Fe 0.5 Co 0.5 ) 5 GeTe 2

Novel magnetic ground states have been stabilized in two-dimensional (2D) magnets such as skyrmions, with the potential next-generation information technology. Here, we report the experimental observation of a Néel-type skyrmion lattice at room temperature in a single-phase, layered 2D magnet, specifically a 50% Co-doped Fe 5 GeTe 2 (FCGT) system. The thickness-dependent magnetic domain size follows Kittel's law. The static spin textures and spin dynamics in FCGT nanoflakes were studied by Lorentz electron microscopy, variable-temperature magnetic force microscopy, micromagnetic simulations, and magnetotransport measurements. Current-induced skyrmion lattice motion was observed at room temperature, with a threshold current density, j th = 1 × 10 6 A/cm 2 . This discovery of a skyrmion lattice at room temperature in a noncentrosymmetric material opens the way for layered device applications and provides an ideal platform for studies of topological and quantum effects in 2D.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Design and Verification of An Open-Circuit Electro-Hydraulic Actuator System with An Integrated Electro-Hydraulic Unit

This paper proposes an electro-hydraulic actuator (EHA) system, and two novel-designed electro-hydraulic units (EHU) consisting of a fixed-displacement hydraulic pump and a variable-speed electric motor. Both the novel EHU designs integrate an electric machine and a hydraulic machine in a single unit, featuring compactness and power density. However, they differ for salient aspects such as power and electric machine cooling system. The EHA system features an open circuit design, where hydraulic hoses connect the EHU with a tank, a valve manifold, and the hydraulic cylinder. In this way, the proposed EHA technology can be used to implement distributed hydraulic actuation in a vehicle without requiring changes to the hydraulic actuators or at the overall layout of the hydraulic components with respect to the original vehicle design. A dedicated test rig is developed to verify the performance of the proposed EHA system. The efficiency of the EHA is measured in a steady state and under a realistic duty cycle of a commercial compact loader. The measured efficiency of the system can reach 54% with up to 20kN load and 6kW power level.

42 ENGINEERING↗

Waffle Homes: Utilizing Aerial Imagery of Unfinished Buildings to Determine Average Room Size

A primary function of the Population Density Tables Project (PDT) at Oak Ridge National Laboratory is to produce residential population densities per 1000 sq. ft. for each country and their associated first-level administrative units. This is accomplished by utilizing the average size of different types of dwelling areas (urban, rural, single-family, multi-family, etc.) and the average household size provided by a country’s Census or statistical bureau records. This data is available for the majority of Europe, North America, and large swathes of Asia, but is less easily found in Africa and South America. In these regions, Censuses generally report dwelling area by number of rooms, which poses the challenging question of how we can translate number of rooms to dwelling size when no dwelling size areas are available with which to compare. Using sub-meter resolution satellite imagery of Accra, Ghana, this challenge can be tackled using imagery of roofless buildings currently under construction that show the interior floor plan of the dwelling. A sample of buildings from the different neighborhoods of Accra can be digitized to provide an estimate and range of average room sizes of dwellings. This average room size can then be translated to a total dwelling area using the "number of rooms occupied by a household" variable from the Ghanaian Census. This intermediate step between average dwelling size and number of rooms occupied, fills the missing link that prevents PDT from continually producing new population densities for countries where dwelling size is unavailable through any official means.

Woody, Carson↗

A combined first principles study of the structural, magnetic, and phonon properties of monolayer CrI3

The first magnetic 2D material discovered, monolayer (ML) CrI3, is particularly fascinating due to its ground state ferromagnetism. However, because ML materials are difficult to probe experimentally, much remains unresolved about ML CrI3’s structural, electronic, and magnetic properties. Here, we leverage Density Functional Theory (DFT) and high-accuracy Diffusion Monte Carlo (DMC) simulations to predict lattice parameters, magnetic moments, and spin–phonon and spin–lattice coupling of ML CrI3. We exploit a recently developed surrogate Hessian DMC line search technique to determine CrI3’s ML geometry with DMC accuracy, yielding lattice parameters in good agreement with recently published STM measurements—an accomplishment given the ~10% variability in previous DFT-derived estimates depending upon the functional. Strikingly, we find that previous DFT predictions of ML CrI3’s magnetic spin moments are correct on average across a unit cell but miss critical local spatial fluctuations in the spin density revealed by more accurate DMC. DMC predicts that magnetic moments in ML CrI3 are 3.62 μB per chromium and -0.145 μB per iodine, both larger than previous DFT predictions. The large disparate moments together with the large spin–orbit coupling of CrI3’s I-p orbital suggest a ligand superexchange-dominated magnetic anisotropy in ML CrI3, corroborating recent observations of magnons in its 2D limit. We also find that ML CrI3 exhibits a substantial spin–phonon coupling of ~3.32 cm-1. Our work, thus, establishes many of ML CrI3’s key properties, while also continuing to demonstrate the pivotal role that DMC can assume in the study of magnetic and other 2D materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Selective Dynamical Imaging of Interferometric Data

Recent developments in very long baseline interferometry (VLBI) have made it possible for the Event Horizon Telescope (EHT) to resolve the innermost accretion flows of the largest supermassive black holes on the sky. The sparse nature of the EHT’s (u, v)-coverage presents a challenge when attempting to resolve highly time-variable sources. We demonstrate that the changing (u, v)-coverage of the EHT can contain regions of time over the course of a single observation that facilitate dynamical imaging. These optimal time regions typically have projected baseline distributions that are approximately angularly isotropic and radially homogeneous. We derive a metric of coverage quality based on baseline isotropy and density that is capable of ranking array configurations by their ability to produce accurate dynamical reconstructions. We compare this metric to existing metrics in the literature and investigate their utility by performing dynamical reconstructions on synthetic data from simulated EHT observations of sources with simple orbital variability. We then use these results to make recommendations for imaging the 2017 EHT Sgr A* data set.

79 ASTRONOMY AND ASTROPHYSICS↗

An Analysis of Terrestrial and Aquatic Environmental Controls of Riverine Dissolved Organic Carbon in the Conterminous United States

Riverine carbon cycling is an important, but insufficiently investigated component of the global carbon cycle. Analyses of environmental controls on riverine carbon cycling are critical for improved understanding of mechanisms regulating carbon processing and storage along the terrestrial-aquatic continuum. Here, we compile and analyze riverine dissolved organic carbon (DOC) concentration data from 1402 United States Geological Survey (USGS) gauge stations to examine the spatial variability and environmental controls of DOC concentrations in the United States (U.S.) surface waters. DOC concentrations exhibit high spatial variability, with an average of 6.42 ± 6.47 mg C/ L (Mean ± Standard Deviation). In general, high DOC concentrations occur in the Upper Mississippi River basin and the Southeastern U.S., while low concentrations are mainly distributed in the Western U.S. Single-factor analysis indicates that slope of drainage areas, wetlands, forests, percentage of first-order streams, and instream nutrients (such as nitrogen and phosphorus) pronouncedly influence DOC concentrations, but the explanatory power of each bivariate model is lower than 35%. Analyses based on the general multi-linear regression models suggest DOC concentrations are jointly impacted by multiple factors. Soil properties mainly show positive correlations with DOC concentrations; forest and shrub lands have positive correlations with DOC concentrations, but urban area and croplands demonstrate negative impacts; total instream phosphorus and dam density correlate positively with DOC concentrations. Notably, the relative importance of these environmental controls varies substantially across major U.S. water resource regions. In addition, DOC concentrations and environmental controls also show significant variability from small streams to large rivers, which may be caused by changing carbon sources and removal rates by river orders. In sum, our results reveal that general multi-linear regression analysis of twenty one terrestrial and aquatic environmental factors can partially explain (56%) the DOC concentration variation. In conclusion, this study highlights the complexity of the interactions among these environmental factors in determining DOC concentrations, thus calls for processes-based, non-linear methodologies to constrain uncertainties in riverine DOC cycling.

54 ENVIRONMENTAL SCIENCES↗

The interpretation of temperature and salinity variables in numerical ocean model output and the calculation of heat fluxes and heat content

Abstract. The international Thermodynamic Equation of Seawater 2010 (TEOS-10) defined the enthalpy and entropy of seawater, thus enabling the global ocean heat content to be calculated as the volume integral of the product of in situ density, ρ, and potential enthalpy, h0 (with reference sea pressure of 0 dbar). In terms of Conservative Temperature, Θ, ocean heat content is the volume integral of ρcp0Θ, where cp0 is a constant “isobaric heat capacity”. However, many ocean models in the Coupled Model Intercomparison Project Phase 6 (CMIP6) as well as all models that contributed to earlier phases, such as CMIP5, CMIP3, CMIP2, and CMIP1, used EOS-80 (Equation of State – 1980) rather than the updated TEOS-10, so the question arises of how the salinity and temperature variables in these models should be physically interpreted, with a particular focus on comparison to TEOS-10-compliant observations. In this article we address how heat content, surface heat fluxes, and the meridional heat transport are best calculated using output from these models and how these quantities should be compared with those calculated from corresponding observations. We conclude that even though a model uses the EOS-80, which expects potential temperature as its input temperature, the most appropriate interpretation of the model's temperature variable is actually Conservative Temperature. This perhaps unexpected interpretation is needed to ensure that the air–sea heat flux that leaves and arrives in atmosphere and sea ice models is the same as that which arrives in and leaves the ocean model. We also show that the salinity variable carried by present TEOS-10-based models is Preformed Salinity, while the salinity variable of EOS-80-based models is also proportional to Preformed Salinity. These interpretations of the salinity and temperature variables in ocean models are an update on the comprehensive Griffies et al. (2016) paper that discusses the interpretation of many aspects of coupled Earth system models.

54 ENVIRONMENTAL SCIENCES↗

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). The pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.

36 MATERIALS SCIENCE↗

Density-Functional Theory of the Fractional Quantum Hall Effect

Here, a conceptual difficulty in formulating the density functional theory of the fractional quantum Hall effect is that while in the standard approach the Kohn-Sham orbitals are either fully occupied or unoccupied, the physics of the fractional quantum Hall effect calls for fractionally occupied Kohn- Sham orbitals. This has necessitated averaging over an ensemble of Slater determinants to obtain meaningful results. We develop an alternative approach in which we express and minimize the grand canonical potential in terms of the composite fermion variables. This provides a natural resolution of the fractional-occupation problem because the fully occupied orbitals of composite fermions automatically correspond to fractionally occupied orbitals of electrons. We demonstrate the quantitative validity of our approach by evaluating the density profile of fractional Hall edge as a function of temperature and the distance from the delta dopant layer and showing that it reproduces edge reconstruction in the expected parameter region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Influence of Atomic Diffusion on Stellar Ages and Chemical Tagging

In the era of large stellar spectroscopic surveys, there is an emphasis on deriving not only stellar abundances but also the ages for millions of stars. In the context of Galactic archeology, stellar ages provide a direct probe of the formation history of the Galaxy. We use the stellar evolution code MESA to compute models with atomic diffusion—with and without radiative acceleration—and extra mixing in the surface layers. The extra mixing consists of both density-dependent turbulent mixing and envelope overshoot mixing. Based on these models we argue that it is important to distinguish between initial, bulk abundances (parameters) and current, surface abundances (variables) in the analysis of individual stellar ages. In stars that maintain radiative regions on evolutionary timescales, atomic diffusion modifies the surface abundances. We show that when initial, bulk metallicity is equated with current, surface metallicity in isochrone age analysis, the resulting stellar ages can be systematically overestimated by up to 20%. The change of surface abundances with evolutionary phase also complicates chemical tagging, which is the concept that dispersed star clusters can be identified through unique, high-dimensional chemical signatures. Stars from the same cluster, but in different evolutionary phases, will show different surface abundances. We speculate that calibration of stellar models may allow us to estimate not only stellar ages but also initial abundances for individual stars. In the meantime, analyzing the chemical properties of stars in similar evolutionary phases is essential to minimize the effects of atomic diffusion in the context of chemical tagging.

79 ASTRONOMY AND ASTROPHYSICS↗

Radiation induced athermal diffusivity in uranium mononitride

Uranium mononitride (UN) is one of the ceramic nuclear fuel alternatives to oxide fuel considered for light water reactors and advanced reactor designs. Properties like self- and fission gas diffusivity need to be better understood, given that they influence key fuel performance phenomena such as fission gas swelling and release. In particular, the radiation induced athermal (D 3 ) diffusivity remains challenging to accurately predict and has only been sparsely characterized in UN, despite its importance as it likely governs diffusion at the low temperatures this high-thermal-conductivity fuel form may operate. Molecular Dynamics simulations are used to estimate the mean square displacement induced by a primary knock-on atom (PKA) with a given kinetic energy. These results are combined with the PKA energy distributions obtained from binary collision approximation calculations to obtain the displacement due to a particular fission fragment. Finally, this is combined with experimental fission fragment yields to determine the displacement due to an average fission event and, thus, express the athermal diffusivity as a function of the fission rate density. These results are in excellent agreement with available experimental data. In conclusion, a particular importance is given to the understanding and the quantification of the variability of these results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Zinc dendrite removal in a nickel-zinc battery with flow-through electrodes

The development and deployment of inexpensive energy storage technologies is critical to realizing a clean energy grid. Batteries are being used in this role, but there remains a need for research on systems that are designed specifically for stationary energy storage, with a focus on lowering the overall cost rather than prioritizing the system energy density, specific energy, and power output. Here, we report the development of ultra-thick (1 cm thick) electrodes with engineered flow channels and explore the variables determining how thick these electrodes can feasibly be. Our proof of concept cell, utilizing the alkaline Ni-Zn chemistry, shows stable cycling over the initial 60 cycles but still suffers from the common Zn dendrite growth at the anode. To extend the life of these systems we report our novel methodology to completely remove Zn dendrites by exploiting the flow-through nature of our electrode architecture.

Collins-Wildman, Daniel L↗

Terahertz Nano-Imaging of Electronic Strip Heterogeneity in a Dirac Semimetal

Emerging topological semimetals offer promise of realizing topological electronics enabled by terahertz (THz) current persistent against impurity scattering. Yet most fundamental issues remain on how to image nanoscale conductivity inhomogeneity. Here in this paper we show noninvasive and contactless conductivity mapping at THz-nm limit of electronic heterogeneity and nanostrip junctions in a Dirac material ZrTe 5 . A clear Dirac Fermion density transition, manifested as the exclusive THz conductivity contrast, is quantitatively analyzed and profiled on both sides of the junction. This also allows the determination of variable junction width of ~25–220 nm, depending on the THz conductivity contrast of adjacent strips. The unique THz-nm contrast is absent in mid-infrared nano-imaging measurements since topological semimetals with small Fermi pockets exhibit a better matching of their plasma frequency and scattering rate to the THz spectral region. The first-principles calculations provide two compelling implications: the conductivity nanocontrast can be induced by a small anisotropic strain, even less than 0.5%, due to an extreme strain sensitivity in ZrTe 5 ; A nanoscale topological phase transition is realized across some junctions induced by the strain, between strong topological insulators (TIs) and weak TIs/Dirac semimetals (DSMs).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Automation and control of laser wakefield accelerators using Bayesian optimization

Laser wakefield accelerators promise to revolutionize many areas of accelerator science. However, one of the greatest challenges to their widespread adoption is the difficulty in control and optimization of the accelerator outputs due to coupling between input parameters and the dynamic evolution of the accelerating structure. Here, we use machine learning techniques to automate a 100 MeV-scale accelerator, which optimized its outputs by simultaneously varying up to six parameters including the spectral and spatial phase of the laser and the plasma density and length. Most notably, the model built by the algorithm enabled optimization of the laser evolution that might otherwise have been missed in single-variable scans. Subtle tuning of the laser pulse shape caused an 80% increase in electron beam charge, despite the pulse length changing by just 1%.

43 PARTICLE ACCELERATORS↗

Simulation Modeling for Reliable Biomass Supply Chain Design Under Operational Disruptions

Lignocellulosic biomass derived fuels and chemicals are a promising and sustainable supplement for petroleum-based products. Currently, the lignocellulosic biofuel industry relies on a conventional system where feedstock is harvested, baled, stored locally, and then delivered in a low-density format to the biorefinery. However, the conventional supply chain system causes operational disruptions at the biorefinery mainly due to seasonal availability, handling problems, and quality variability in biomass feedstock. Operational disruptions decrease facility uptime, production efficiencies, and increase maintenance costs. For a low-value high-volume product where margins are very tight, system disruptions are especially problematic. In this work we evaluate an advanced system strategy in which a network of biomass processing centers (depots) are utilized for storing and preprocessing biomass into stable, dense, and uniform material to reduce feedstock supply disruptions, and facility downtime in order to boost economic returns to the bioenergy industry. A database centric discrete event supply chain simulation model was developed, and the impact of operational disruptions on supply chain cost, inventory and production levels, farm metrics and facility metrics were evaluated. Three scenarios were evaluated for a 7-year time-period: (1) bale-delivery scenario with biorefinery uptime varying from 20 to 85%; (2) pellet-delivery scenario with depot uptime varying from 20 to 85% and biorefinery uptime at 85%; and (3) pellet-delivery scenario with depot and biorefinery uptime at 85%. In scenarios 1 and 2, tonnage discarded at the field edge could be reduced by increasing uptime at facility, contracting fewer farms at the beginning and subsequently increasing contracts as facility uptime increases, or determining alternative corn stover markets. Harvest cost was the biggest contributor to the average delivered costs and inventory levels were dependent on facility uptimes. We found a cascading effect of failure propagating through the system from depot to biorefinery. Therefore, mitigating risk at a facility level is not enough and conducting a system-level reliability simulation incorporating failure dependencies among subsystems is critical.

09 BIOMASS FUELS↗