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At least 1,711 records · Page 95

Material Properties for Brady Hot Springs Nevada USA from PoroTomo Project

The PoroTomo team has completed inverse modeling of the three data sets (seismology, geodesy, and hydrology) individually, as described previously. The estimated values of the material properties are registered on a three-dimensional grid with a spacing of 25 meters between nodes. The material properties are listed an Excel file. Figures show planar slices in three sets: horizontal slices in a planes normal to the vertical Z axis (Z normal), vertical slices in planes perpendicular to the dominant strike of the fault system (X normal), and vertical slices in planes parallel to the dominant strike of the fault system (Y normal). The results agree on the following points. The material is unconsolidated and/or fractured, especially in the shallow layers. The structural trends follow the fault system in strike and dip. The geodetic measurements favor the hypothesis of thermal contraction. Temporal changes in pressure, subsidence rate, and seismic amplitude are associated with changes in pumping rates during the four stages of the deployment in 2016. The modeled hydraulic conductivity is high in fault damage zones. All the observations are consistent with the conceptual model: highly permeable conduits along faults channel fluids from shallow aquifers to the deep geothermal reservoir tapped by the production wells.

15 GEOTHERMAL ENERGY↗

Multiphysics modeling of accelerators through code integration

This work aims to improve the ability of particle accelerator researchers to develop high-performance accelerator cavity designs by creating an overall multiphysics framework that integrates and couples existing application codes. This framework will allow accelerator researchers to build multiphysics models that will optimize cavity design, improve understanding of whole-device performance, and reduce the development and fabrication costs of accelerator research. We utilize the open-source VizSchema data standard as an intermediate data structure interface layer to standardize interfaces between individual application codes. VizScema is extensively documented online, and plugins for VizSchema are available for popular visualization packages, including VisIt and ParaView. Currently, the work focuses on coupling the EM field solver COMSOL and the electron gun code MICHELLE to allow COMSOL field-solve results to be seamlessly used by MICHELLE for particle-solve. Later work will extend this integration to include other fields, particles, and thermodynamics simulation codes.

43 PARTICLE ACCELERATORS↗

3D And 4D Cloud Lifecycle Investigations Using Innovative Scanning Radar Analysis Methods. Final report

With the vast upgrades to the ARM program radar measurement capabilities in 2010 and beyond, our ability to probe the 3D structure of clouds and associated precipitation has increased dramatically. This project build on the PI's and co-I's expertisein the analysis of radar observations. The first research thrust aims to document the 3D morphological (as depicted by the radar reflectivity structure) and 3D dynamical (cloud$-$scale eddies) structure of boundary layer clouds. Unraveling the 3D dynamical structure of stratocumulus and shallow cumulus clouds requires decomposition of the environmental wind contribution and particle sedimentation velocity from the observed radial Doppler velocity. The second thrust proposes to unravel the mechanism of cumulus entrainment (location, scales) and its impact on microphysics utilizing radar measurements from the vertically pointing and new scanning radars at the ARM sites. The third research thrust requires the development of a cloud$-$tracking algorithm that monitors the properties of cloud.

3D structure↗

Voltron Compatible Whole Building Root-Fault Detection and Diagnosis

Buildings consume more than 40% of primary energy in the U.S. Malfunctioning sensors, components, and control systems, as well as degrading components in Heating, Ventilating and Air-conditioning (HVAC) and lighting systems are main reasons for energy waste and unsatisfactory indoor environment. Field studies have shown that an energy saving of 5-30% of total building energy consumption and improved indoor air quality can be achieved by simply applying automated fault detection and diagnosis (AFDD), followed by corrections even if these are not done in real time. Extensive research has been made on the development of component level AFDD tools in the past two decades. However, in recent years, the development of method for a whole building level AFDD has received much attention. Here, a whole building fault refers to a fault happening in one subsystem but impact on more than one subsystems, or has a significant impact on building performances, such as building’s energy consumption. Existing component level AFDD tools could fail to detect or give false alarm for faults that trigger abnormalities in multiple subsystems. Isolating such whole building faults, which have impacts on multiple subsystems, is also challenging by simply using component based AFDD solutions. On the other hand, it might be more cost-effective for medium- or small-sized commercial buildings that have subsystems (e.g. primary cooling subsystem, air loop subsystem, heating subsystem, lighting subsystem, etc.) to install one whole building level AFDD tool, rather than many component level AFDD tools, to focus on significant faults. The focus of this project is firstly to provide training opportunities in building AFDD research area for undergraduate students and to develop a workforce pipeline in building sciences. The objective of the proposed research activities is to develop cost-effective and scalable AFDD solutions for whole building level faults. The developed AFDD solution is VOLTTRONTM compatible to further increase its plug-n-play capacity and the market penetration. VOLTTRONTM is an open-source innovative distributed control and sensing software platform developed by the Pacific Northwest National Laboratory. A VOLTTRONTM compatible AFDD tool brings the benefits such as low-cost deployment, and better building to grid integration, etc. The performance of the developed whole building AFDD tools is evaluated using data collected from a mixed-use medium-sized university campus building. Another significant goal of this project is to engage undergraduate students in research activities and expose them to building control and AFDD fields. A demonstration building – Nesbitt Hall at Drexel University is identified for this study. This demonstration building has a typical HVAC system configuration, which includes a water-cooled chiller system, three variable air volume (VAV) air handling unit (AHU) systems, and a hydronic heating system. Faults, that are expected to have a whole building level impact, are artificially implemented in this demonstration building for three different seasons. Building data have been collected in this project, which include fault free building automation system (BAS) data and BAS data that contain system behaviors caused by artificially implemented and naturally occurred faults. These collected data are used to evaluate the developed whole building AFDD tools. A data-driven method, which includes a weather and schedule-based pattern matching (WPM) method and Feature based Principal Component Analysis (FPCA) method, is developed for whole building level fault detection. Parameter sensitivity tests, including snapshot window size, data sample searching pool size, etc., are implemented to evaluate the impacts of various WPM-FPCA parameters. A data-driven and expert knowledge/rule-based method using Bayesian Network (BN) and WPM is developed for whole building level fault diagnosis. The developed WPM-BN method, which includes a two-layer BN structure model and BN parameters, are either learned from baseline data or developed from expert knowledge. The developed whole building AFDD tools are evaluated using BAS data collected from the demonstration building. Using the evaluation data set, the WPM-FPCA fault detection method is evaluated under two different Principle Component (PC) retention rates, i.e., 0.65 retention rate and 0.95 retention rate. It is observed that when using 0.65 PC retention rate, the WPM-FPCA fault detection method achieves a 79% fault detection rate (this rate reaches to 85% when including the six make-up fault test cases discussed in the next bullet), while when using 0.95 PC retention rate, the WPM-FPCA fault detection method achieves 100% fault detection rate (this rate remains to be 100% when including the six make-up fault test cases). Under both PC retention rates, the WPM-FPCA fault detection method demonstrates 0% false alarm rates. Using the evaluation data set, the developed WPM-BN fault diagnosis method has successfully diagnosed thirteen (13) faults out of the fourteen (14) fault test cases. The one mis-diagnosed case exhibits fewer fault symptoms in different subsystems, when compared with other fault test cases. Overall speaking, the developed whole building AFDD solutions demonstrate satisfactory fault detection/diagnosis accuracy with very low false alarm rate. Lastly, a survey and market study has been performed to understand the existing AFDD market, including its gaps and needs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Modeling Electric Double Layer Effects on Charge Transfer at Flow Battery Electrode/Electrolyte Interfaces

The proposal aims to model interfacial processes associated with redox flow batteries (RFB) for grid/stationary storage, with the ultimate goal of helping design new electrolytes, electrodes, redox species, and interfaces. It addresses the linked problems of electric double layer (EDL) structure and electron transfer at model electrode/electrolyte interfaces. Fast electron transfer partly determines which redox species are viable for flow batteries (along with solubility, viscosity, etc.). Commercial systems apply aqueous, vanadium-based complexes, but other choices and organic electrolytes with larger voltage windows are the subject of active research at Sandia and elsewhere. The high salt concentration present in flow battery electrolytes yields non-trivial EDL consisting of solvents, counter-ions, co-ions, and redox species (at different charge states at the charging voltage threshold). EDL strongly influences electron transfer, especially when redox “mediators” are used. Modeling this key missing information is the main challenge. Our proposal seeks to apply Sandia’s LAMMPS molecular dynamics code. As a proof of principle, we study minimal model systems (graphite electrode, with ferrocene and fluornone as redox-active species). These model "catholyte" and "anolyte" molecules exhibit low reorganization energies (in the sense of Marcus theory) and are most amenable to EDL simulations which involve switching of redox states to mimic electron transfer. This study will enable future modeling and design of redox species relevant to flow batteries and redox mediators used at Sandia for other purposes.

25 ENERGY STORAGE↗

Characterizing the Turbulent Structure of the Convective Boundary Layer Using ARM/ASR Observations and LES Model Output

This project used high-resolution observations and output from large-eddy simulation models to characterize turbulent motions within the planetary boundary layer. As part of this research, we (a) continued development of techniques to derive profiles of temperature and humidity from ground-based instruments, (b) characterized the higher order moments of water vapor at a tropical location, (c) evaluated the time-of-day dependent turbulent mixing within the boundary layer, (d) developed an improved method to derive turbulent quantities at the top of the boundary layer from profiles of temperature, humidity, and wind, (e) organized and conducted a large field campaign to study the interactions between the land surface and atmosphere, and (f) developed improved ways to determine the depth of the boundary layer.

54 ENVIRONMENTAL SCIENCES↗

Symmetry Engineering of Topological Quantum States (Final Report)

Recent discoveries of topological materials have generated immense interest. The electronic states of these materials have unique topological properties protected by specific symmetries that generate exotic quantum phenomena and technologically useful properties. In topological semimetals, topological phase transitions caused by symmetry-breaking have long been known to be possible, but experimental verification has been impeded by the fact that for most materials, symmetry is a fixed property of the crystal, not an easily tunable parameter. The objectives of the proposed work are (i) to reveal the intimate connection between symmetry and topological electronic states, and (ii) to produce several tunable topological quantum phases which are of both scientific and technological significance. This project focuses on the recently discovered layered topological semimetals WHM (W = Zr or rare earth elements; H = Si, Sn, Sb; M = S, Se, Te). The layered crystal structure, availability of atomically thin two-dimensional (2D) flakes, and rich magnetic states of WHM compounds allow for symmetry engineering via synergistic bulk- and nano-approaches. The PIs plan to modify the crystal symmetry in a controllable manner using strain, and break time-reversal symmetry using magnetic WHMs and via magnetic proximity in heterostructures. This research is based on the combined efforts of bulk single crystal growth, nanodevice fabrication, strain application, theoretical calculations, and quantum transport measurements.

36 MATERIALS SCIENCE↗

Reversible Fuel Cell Stacks with Integrated Water Management

Regenerative fuel cell/electrolyzers have long held promise as energy storage devices. Due to their small footprint and their ability to separately size the power and storage functions, they have many advantages over batteries, particularly for remote or deployable systems. A unitized regenerative fuel cell is proposed that takes advantage of three new technologies. The first is a H 2 /O 2 unitized regenerative stack that Giner, Inc. (Giner) has developed that combines a fuel cell and electrolyzer stack, eliminating one of the electrochemical stacks, the most expensive component in regenerative fuel cell systems. The second is an oxygen catalyst with low PGM loadings generated through Reactive Spray Deposition Technology (RSDT). The third is an amphiphilic microporous layer (AMPL) structure to greatly aid water management in both operational modes.

08 HYDROGEN↗

Using interfaces to: create strongly-coupled magnetic-ferroelectrics

Starting at the level of electrons and atoms our long-term goal is to rationally design complex oxide heterostructures and interface-materials with targeted emergent behaviors. This is not a matter of simply optimizing material parameters, but rather begins with understanding a mechanism to control the interplay between the diverse microscopic degrees of freedom prevalent in complex oxides in order to create targeted macroscopic phenomena and ends with the design of new material realizations. These realizations are in turn created with atomic-layer precision, structurally assessed to see that they are the intended realization, and finally their relevant properties are measured. During this program we have developed the scientific ideas necessary to apply this materials-by-design paradigm to the creation of materials offering electrical control of magnetism. At the heart of our approach lies a partnership between theory, synthesis, and characterization. These are the areas of expertise of the three co-PIs, who have worked closely together since their arrival at Cornell. During this project bold ideas on where to put the atoms to provide electrical control of magnetism were met with the latest methods of synthesis science and electron microscopy in an attempt create targeted new multiferroics. Our work applying this materials-by-design methodology to multiferroics has enjoyed multiple successes. The Co-PIs have invented new mechanisms for multiferroics, which provide strong coupling between polarization and magnetism, and reduced them to practice. Specifically, we pioneered multiferroics based on spin-phonon coupling, rotation-driven multiferroicity, and novel geometric multiferroics. Importantly, the latter two of these mechanisms enable the deterministic switching of magnetism by an applied electric field, which is key to the application of multiferroics to future device technologies. Most recently, we performed detailed theoretical analysis on a system involving the combination of magnetoelectric and colossal magnetoresistance behaviors and predict that electrical control of a metal-insulator transition is possible in appropriately strained SmBaMn2O6. The research enabled by this grant led to 63 publications in leading refereed journals including Nature, Nature Materials, Physical Review Letters, and Advanced Materials demonstrating a materials-by-design paradigm to the creation of materials offering electrical control of magnetism.

36 MATERIALS SCIENCE↗

The Impact of Cloud Radiative Effects on the Tropical Tropopause Layer Temperatures

A single-column radiative-convective model (RCM) is a useful tool to investigate the physical processes that determine the tropical tropopause layer (TTL) temperature structures. Previous studies on the TTL using the RCMs, however, omitted the cloud radiative effects. In this study, we examine the impact of cloud radiative effects on the simulated TTL temperatures using an RCM. We derive the cloud radiative effects based on satellite observations, which show heating rates in the troposphere but cooling rates in the stratosphere. We find that the cloud radiative effect warms the TTL by as much as 2 K but cools the lower stratosphere by as much as -1.5 K, resulting in a thicker TTL. With (without) considering cloud radiative effects, we obtain a convection top of ≈167 hPa (≈150 hPa) with a temperature of ≈213 K (≈209 K), and a cold point at ≈87 hPa (≈94 hPa) with a temperature of ≈204 K (≈204 K). Therefore, the cloud radiative effects widen the TTL by both lowering the convection-top height and enhancing the cold-point height. We also examine the impact of TTL cirrus radiative effects on the RCM-simulated temperatures. We find that the TTL cirrus warms the TTL with a maximum temperature increase of ≈1.3 K near 110 hPa.

54 ENVIRONMENTAL SCIENCES↗

Titanium Nitride as an Intermetallic Diffusion Barrier for Hydrogen Permeation in Palladium–Vanadium Composite Membranes

Hydrogen purification is a critical industrial process, and there are ongoing efforts to develop low-cost alternatives to palladium foil membranes. Titanium nitride (TiN) is studied as an interdiffusion barrier to enable hydrogen permeation in composite palladium–vanadium membranes. TiN was deposited via reactive sputtering, and films with the desired (200) orientation were obtained in the metallic regime at 400 °C under a 200 V bias to the substrate. The permeability of thin-film TiN was determined with palladium-based sandwich structures. TiN layers up to 10 nm resulted in a minimal decrease in flux (~20%) relative to a freestanding PdCu foil, which was attributed to the interfacial resistance. At greater thicknesses, the TiN layer was rate-limiting, and it was found that the effective permeability of the sputtered TiN thin films was ~6 × 10−12 mol s−1 m−1 Pa−0.5. Composite Pd|TiN|V|TiN|Pd membranes exhibited permeability values up to three times greater than pure palladium, exhibiting stability at 450 °C for over 100 h, with the lack of intermetallic diffusion and alloy formation being confirmed with XRD. The membranes were unstable at 500 °C, which was attributed to the instability of the thin Pd layer and loss of catalytic activity.

Biochemistry & Molecular Biology↗

A Three-dimensional View of Turbulence: Constraints on Turbulent Motions in the HD 163296 Protoplanetary Disk Using DCO{sup +}

Gas kinematics are an important part of the planet formation process. Turbulence influences planetesimal growth and migration from the scale of submicron dust grains through gas-giant planets. Radio observations of resolved molecular line emission can directly measure this non-thermal motion and, taking advantage of the layered chemical structure of disks, different molecular lines can be combined to map the turbulence throughout the vertical extent of a protoplanetary disk. Here we present ALMA observations of three molecules (DCO{sup +}(3-2), C{sup 18}O(2-1) and CO(2-1)) from the disk around HD 163296. We are able to place stringent upper limits (v {sub turb} < 0.06c {sub s}, <0.05c {sub s}, and <0.04c {sub s} for CO(2-1), C{sup 18}O(2-1), and DCO{sup +}(3-2) respectively), corresponding to α ≲ 3 × 10{sup −3}, similar to our prior limit derived from CO(3-2). This indicates that there is little turbulence throughout the vertical extent of the disk, contrary to theoretical predictions based on the magnetorotational instability and gravitoturbulence. In modeling the DCO{sup +} emission, we also find that it is confined to three concentric rings at 65.7 ± 0.9 au, 149.9{sub −0.7}{sup +0.5} au, and 259 ± 1 au, indicative of a complex chemical environment.

79 ASTRONOMY AND ASTROPHYSICS↗

Insights of warm-cloud biases in Community Atmospheric Model 5 and 6 from the single-column modeling framework and Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) observations

There has been a growing concern that most climate models predict precipitation that is too frequent, likely due to lack of reliable subgrid variability and vertical variations in microphysical processes in low-level warm clouds. In this study, the warm-cloud physics parameterizations in the singe-column configurations of NCAR Community Atmospheric Model version 6 and 5 (SCAM6 and SCAM5, respectively) are evaluated using ground-based and airborne observations from the Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) field campaign near the Azores islands during 2017–2018. The 8-month single-column model (SCM) simulations show that both SCAM6 and SCAM5 can generally reproduce marine boundary layer cloud structure, major macrophysical properties, and their transition. The improvement in warm-cloud properties from the Community Atmospheric Model 5 and 6 (CAM5 to CAM6) physics can be found through comparison with the observations. Meanwhile, both physical schemes underestimate cloud liquid water content, cloud droplet size, and rain liquid water content but overestimate surface rainfall. Modeled cloud condensation nuclei (CCN) concentrations are comparable with aircraft-observed ones in the summer but are overestimated by a factor of 2 in winter, largely due to the biases in the long-range transport of anthropogenic aerosols like sulfate. We also test the newly recalibrated autoconversion and accretion parameterizations that account for vertical variations in droplet size. Compared to the observations, more significant improvement is found in SCAM5 than in SCAM6. This result is likely explained by the introduction of subgrid variations in cloud properties in CAM6 cloud microphysics, which further suppresses the scheme's sensitivity to individual warm-rain microphysical parameters. The predicted cloud susceptibilities to CCN perturbations in CAM6 are within a reasonable range, indicating significant progress since CAM5 which produces an aerosol indirect effect that is too strong. The present study emphasizes the importance of understanding biases in cloud physics parameterizations by combining SCM with in situ observations.

54 ENVIRONMENTAL SCIENCES↗

Improving the Confidence in Retrievals of Vertical Distributions of Cloud Condensation Nuclei Number Concentration from ARM Supported by Aircraft In Situ Observations

Accurate quantification of the vertical distribution of cloud condensation nuclei (CCN) number concentrations is critical for improving our understanding of aerosol–cloud interactions. Ground-based Raman lidars operated by the Atmospheric Radiation Measurement (ARM) program, together with surface CCN measurements, are used to retrieve vertically resolved CCN number concentrations (Retrieved Number concentration of CCN, RNCCN). These retrievals rely on several assumptions, including that aerosol composition is vertically homogeneous. To assess this assumption, we developed and tested a framework to infer the dominant aerosol classes/types at different altitudes. This was done by applying a k-Nearest-Neighbors (kNN) algorithm to lidar ratio and linear depolarization ratio measurements from Raman lidar. We evaluated the framework using aircraft aerosol and CCN measurements from the ARM Holistic Interactions of Shallow Clouds, Aerosols, and Land Ecosystems (HI-SCALE) field campaign. The results show that RNCCN performance degrades as vertical aerosol complexity increases, i.e., RNCCN agrees with the aircraft CCN in vertically homogeneous conditions, but closure decreases in layered aerosol structures. To generalize beyond individual examples, we introduce a metric (heterogeneity index) that quantifies the vertical complexity by assessing the variation of inferred aerosol classes/types. Case-level statistics show a tendency for RNCCN and aircraft differences to increase with this metric. By detecting retrievals that are likely compromised by aerosol vertical heterogeneity, the proposed framework improves the interpretability and effective use of RNCCN used for long-term evaluation of models and aerosol–cloud interactions.

Tian, Jingjing↗

Swept-frequency UHF radiometer for deep probes of earth - A concept

Radiometer, developed for use on moon or planets, could be used to - determine layering and structure as deep as 100 feet below earth surface, determine physical properties of subsurface by variation of dielectric constants, identify types of materials including ore bodies and oil, and locate subsurface deposits of moisture.

Koppl, W.↗