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At least 1,135 records · Page 63

Energy partitioning of gaseous ions in an electric field.

The partitioning of ion energy among thermal energy, drift energy, and random-field energy is studied by solution of the Boltzmann equation. An expansion in powers of the square of the electric field strength is obtained by Kihara's method. Numerical calculations for several ion-neutral force laws show that Wannier's constant mean-free-time model gives a reasonable first approximation. The formal extension to multicomponent mixtures is also given. The matrix elements obtained are tabulated, and can be used to study the field dependence of other moments of the ion-distribution function.

Hahn, H.-S.↗

Doubly differential cross sections for galactic heavy-ion fragmentation

An abrasion-ablation T-matrix formulation is applied to the calculation of double differential-cross sections in projectile fragmentation of 2.1 GeV/nucleon O-16 on Be-9 and 86 MeV/nucleon C-12 on C-12 and Ag-108. An exponential parameterization of the ablation T-matrix is used and the total width of the intermediate states is taken as a parameter. Fitted values of the total width to experimental results are used to predict the lifetime of the ablation stage and indicate a decay time on the order of 10 to the -19th power sec.

Cucinotta, Francis A.↗

Ohmic heating of composite candidate graphite-fiber/coating combinations

Graphite fibers were heated in a vacuum to test the adhesion of deposited films at elevated temperatures. Copper-clad fibers and fibers with bilayer coatings were resistance heated by a direct-current power supply. Where possible, peak temperatures were measured with a long-focal-length optical pyrometer. Fiber surface wetting or nonwetting behavior could be clearly observed after this relatively quick and simple procedure. These results are discussed in the context of creating composites of graphite fibers in a copper matrix.

Abel, Phillip B.↗

Monte Carlo Control Loops for Cosmic Shear Cosmology with DES Year 1

Weak lensing by large-scale structure is a powerful probe of cosmology and of the dark universe. This cosmic shear technique relies on the accurate measurement of the shapes and redshifts of background galaxies and requires precise control of systematic errors. The Monte Carlo Control Loops (MCCL) is a forward modelling method designed to tackle this problem. It relies on the Ultra Fast Image Generator (UFig) to produce simulated images tuned to match the target data statistically, followed by calibrations and tolerance loops. We present the first end-to-end application of this method, on the Dark Energy Survey (DES) Year 1 wide field imaging data. We simultaneously measure the shear power spectrum $C_{\ell}$ and the redshift distribution $n(z)$ of the background galaxy sample. The method includes maps of the systematic sources, Point Spread Function (PSF), an Approximate Bayesian Computation (ABC) inference of the simulation model parameters, a shear calibration scheme, and the fast estimation of the covariance matrix. We find a close statistical agreement between the simulations and the DES Y1 data using an array of diagnostics. In a non-tomographic setting, we derive a set of $C_\ell$ and $n(z)$ curves that encode the cosmic shear measurement, as well as the systematic uncertainty. Following a blinding scheme, we measure the combination of $\Omega_m$, $\sigma_8$, and intrinsic alignment amplitude $A_{\rm{IA}}$, defined as $S_8D_{\rm{IA}} = \sigma_8(\Omega_m/0.3)^{0.5}D_{\rm{IA}}$, where $D_{\rm{IA}}=1-0.11(A_{\rm{IA}}-1)$. We find $S_8D_{\rm{IA}}=0.895^{+0.054}_{-0.039}$, where systematics are at the level of roughly 60\% of the statistical errors. We discuss these results in the context of earlier cosmic shear analyses of the DES Y1 data. Our findings indicate that this method and its fast runtime offer good prospects for cosmic shear measurements with future wide-field surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Water Vapor Resistant SiC/SiC Composite for Hydrogen-Based Turbines (Final Scientific Technical Report)

New material innovations are needed for the extreme environments of next generation, hydrogen-fueled turbine engines. Ceramic matrix composites (CMCs) offer high-temperature capability but are susceptible to degradation in high-temperature water vapor. Pratt & Whitney’s (P&W) baseline silicon carbide (SiC)/SiC CMC was initially applied to design a component in a hydrogen-fueled engine, verifying the existence of a design space and extracting boundary conditions to inform testing parameters. Several material innovations, including two fibers, interface coatings (IFC), and self-healing matrices (SHM), were investigated to improve high-temperature performance in water vapor. A boron-doped pyrocarbon (B-PyC) IFC and a SHM matrix with layers of zirconium nitride (ZrN) or zirconium diboride (ZrB 2 ) were developed to fabricate minicomposites with either standard Hi-Nicalon™ Type S (HNS) fibers or new Tyranno® SA4 fibers (SA4). The B-PyC IFC is functional but lacks in providing improved durability. A matrix consisting of thick layers of SiC and thin layers of ZrB 2 shows promise as a SHM that can effectively seal matrix cracks in this extreme environment. Minicomposites with HNS fibers generally outperform those with SA4 fibers.

08 HYDROGEN↗

Development of a Testing Protocol for C7 Carbon Fiber Core Conductors

To avoid the high costs and environmental and regulatory challenges of building new lines to meet the power demand, utilities are searching for ways to increase power transmission capacity on existing lines and thereby. This could involve upgrading the network lines with conductors capable of transmitting greater capacity. In recent years, conductor manufacturers have begun producing new conductors that can operate at higher temperatures without violating present electrical clearances to ground and other objects. One new conductor technology is a carbon composite core with PPS polymer matrix and PEEK capping layer composite conductor, manufactured by Southwire Inc. The conductor uses new materials, which have not previously been used for overhead lines. The project made an initial characterization of the composite core to define the material used in the manufacture of the composite. Several analytical procedures were then conducted to evaluate the physical-chemical impacts on the composite as a result of thermal exposure. These procedures included thermogravimetry, dynamic mechanical analysis, thermal mechanical analyses, and optical microscopy. Mechanical three-point flexural tests, tensile tests, creep tests, and dynamic vibration tests were then performed to estimate the potential degradation after thermal aging. The report provides the basis to develop a qualification testing protocol for the carbon composite core at targeted service environments. The work covers the design of the qualification testing protocol and the follow-on validation testing to support the proposed methods. The research includes the following approaches: initial characterization, performance of thermal aging, characterization of the aged material, comparison of aged properties or characteristics to the original, and concluding by the findings through the developed qualification procedures.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Regenerative Carbonate-Based Thermochemical Energy Storage System for Concentrating Solar Power

Southern Research has developed a thermochemical energy storage (TCES) technology that utilizes the endothermic-exothermic reversible carbonation of calcium oxide (lime) to store thermal energy at high-temperatures, such as those achieved by next generation concentrating solar power (CSP) facilities. The major challenges addressed in the development of this system include refining a high capacity, yet durable sorbent material and designing a low thermal resistance low-cost heat exchanger reactor system to move heat between the sorbent and a heat transfer fluid under conditions relevant for CSP operation (e.g., energy density, reaction kinetics, heat flow). The proprietary stabilized sorbent was developed by Precision Combustion, Inc. (PCI). A factorial matrix of sorbent compositions covering the design space was tested using accelerated high throughput screening in a thermo-gravimetric analyzer. Several promising formulations were selected for more thorough evaluation and one formulation with high capacity (0.38 g CO 2 /g sorbent) and durability (>99.7% capacity retention over 100 cycles) was chosen as a basis for further development of the energy storage reactor system. In parallel with this effort, a full range of currently available commercial and developmental heat exchange reactor systems and sorbent loading methods were examined through literature research and contacts with commercial vendors. Process models were developed to examine if a heat exchange reactor system and balance of plant can meet required TCES performance and cost targets, optimizing tradeoffs between thermal performance, exergetic efficiency, and cost. Reactor types evaluated included many forms, from microchannel reactor, to diffusion bonded heat exchanger, to shell and tube heat exchangers. The most viable design for application to a supercritical CO 2 power cycle operating at 200-300 bar pressure and >700°C was determined to be a combination of a diffusion bonded heat exchanger with a shell and tube reactor. A bench scale reactor system was then designed and constructed to test sorbent performance under more commercially relevant conditions. This system utilizes a tube-in tube reactor design containing approximately 250 grams sorbent and is able to operate under a wide range of temperature, pressure and flow conditions as needed to explore system performance under a variety of operating conditions. A variety of sorbent loading methods may be tested using the reactor design. Initial bench test results over 25 cycles showed very high sorbent stability (>99%) and sufficient capacity (>0.28 g CO 2 /g sorbent) for an economical commercial-scale system. Initial technoeconomic evaluation of the proposed storage system show that the sorbent cost should not have a significant impact on overall system cost, and that the largest cost impacts come from the heat exchanger reactor and balance of plant equipment, including compressors and gas storage, due to the high temperatures for sCO 2 cycles. Current estimated system costs are $47/kWhth based on current material and equipment cost estimates.

14 SOLAR ENERGY↗

Discovery of Signatures, Anomalies, and Precursors in Synchrophasor Data with Matrix Profile and Deep Recurrent Neural Networks (Final Project Report)

The widespread deployment of phasor measurement unit (PMU) across the U.S. together with the burgeoning machine learning technology made it possible to develop data-driven PMU data analytics to improve grid security and reliability in a more insightful and effective manner. Although PMU applications have been explored for over a decade, the representative PMU usage is limited to the bulk power system monitoring mainly due to the data integrity issues associated with PMUs (typically missing, fragmented, and wrongly amplified data). To forge a breakthrough on this stalemate and embrace PMUs for power system control and protection as well, we applied various advanced machine learning and big data analysis technology to the power system event detection and classification as the first step toward the power system control and protection pertaining to grid security enhancement.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Large Engine Technology (LET) Short Haul Civil Tiltrotor Contingency Power Materials Knowledge and Lifing Methodologies

This report documents the results of an experimental program conducted on two advanced metallic alloy systems (Rene' 142 directionally solidified alloy (DS) and Rene' N6 single crystal alloy) and the characterization of two distinct internal state variable inelastic constitutive models. The long term objective of the study was to develop a computational life prediction methodology that can integrate the obtained material data. A specialized test matrix for characterizing advanced unified viscoplastic models was specified and conducted. This matrix included strain controlled tensile tests with intermittent relaxtion test with 2 hr hold times, constant stress creep tests, stepped creep tests, mixed creep and plasticity tests, cyclic temperature creep tests and tests in which temperature overloads were present to simulate actual operation conditions for validation of the models. The selected internal state variable models where shown to be capable of representing the material behavior exhibited by the experimental results; however the program ended prior to final validation of the models.

Spring, Samuel D.↗

Impact of artificial topological changes on flow and transport through fractured media due to mesh resolution

Abstract We performed a set of numerical simulations to characterize the interplay of fracture network topology, upscaling, and mesh refinement on flow and transport properties in fractured porous media. We generated a set of generic three-dimensional discrete fracture networks at various densities, where the radii of the fractures were sampled from a truncated power-law distribution, and whose parameters were loosely based on field site characterizations. We also considered five network densities, which were defined using a dimensionless version of density based on percolation theory. Once the networks were generated, we upscaled them into a single continuum model using the upscaled discrete fracture matrix model presented by Sweeney et al. (2019). We considered steady, isothermal pressure-driven flow through each domain and then simulated conservative, decaying, and adsorbing tracers using a pulse injection into the domain. For each simulation, we calculated the effective permeability and solute breakthrough curves as quantities of interest to compare between network realizations. We found that selecting a mesh resolution such that the global topology of the upscaled mesh matches the fracture network is essential. If the upscaled mesh has a connected pathway of fracture (higher permeability) cells but the fracture network does not, then the estimates for effective permeability and solute breakthrough will be incorrect. False connections cannot be eliminated entirely, but they can be managed by choosing appropriate mesh resolution and refinement for a given network. Adopting octree meshing to obtain sufficient levels of refinement leads to fewer computational cells (up to a 90% reduction in overall cell count) when compared to using a uniform resolution grid and can result in a more accurate continuum representation of the true fracture network.

58 GEOSCIENCES↗

Proteomics for Microbial Forensics

Mass spectrometry-based proteomics is a powerful tool for the detection and characterization of microbes of forensic and national security concern. Both targeted and untargeted proteomics methods have been developed for the taxonomic classification of unknown microbial samples. Targeted proteomics assays are can be designed for specific microbes of security concern. Untargeted, library-based matrix-assisted laser desorption-ionization time of flight (MALDI-TOF) mass spectrometry is now extensively used in the medical field for microbial identification. Several research groups have developed data analysis pipelines for organism identification/taxonomic classification from untargeted liquid chromatography-tandem mass spectrometry (LC-MS/MS) data, an application which has some overlap with the field of metaproteomics. This chapter reviews these organism identification techniques. However, organism identification/classification is also commonly done by whole genome sequencing. Using examples from published literature, this chapter also highlights several examples of how proteomics approaches can provide information that cannot be acquired from DNA sequencing alone, such as distinguishing laboratory-adapted bacteria from closely-related wild isolates, and characterizing the growth medium of bacteria and the host cells of virus particles.

proteomics, microbial forensics, mass spectrometry↗

Structural and optical characterization of Cr{sub 2}O{sub 3} nanostructures: Evaluation of its dielectric properties

The structural, optical and dielectric properties of as-grown Cr{sub 2}O{sub 3} nanostructures are demonstrated in this paper. Powder X-ray diffractometry analysis confirmed the rhombohedral structure of the material with lattice parameter, a = b = 4.953 Å; c = 13.578 Å, and average crystallize size (62.40 ± 21.3) nm. FE-SEM image illustrated the mixture of different shapes (disk, particle and rod) of as-grown nanostructures whereas; EDS spectrum confirmed the elemental purity of the material. FTIR spectroscopy, revealed the characteristic peaks of Cr–O bond stretching vibrations. Energy band gap (3.2 eV) of the nanostructures has been determined using the results of UV-VIS-NIR spectrophotometer. The dielectric properties of the material were checked in the wide frequency region (100Hz-30 MHz). In the low frequency region, the matrix of the dielectric behaves like source as well as sink of electrical energy within the relaxation time. Low value of dielectric loss exhibits that the materials posses good optical quality with lesser defects. The ac conductivity of the material in the high frequency region was found according to frequency power law. The physical-mechanism and the theoretical-interpretation of dielectric-properties of Cr{sub 2}O{sub 3} nanostructures attest the potential candidature of the material as an efficient dielectric medium.

36 MATERIALS SCIENCE↗

Theoretical oxidation state analysis of Ru-(bpy){sub 3}: Influence of water solvation and Hubbard correction in first-principles calculations

Oxidation state is a powerful concept that is widely used in chemistry and materials physics, although the concept itself is arguably ill-defined quantum mechanically. In this work, we present impartial comparison of four, well-recognized theoretical approaches based on Lowdin atomic orbital projection, Bader decomposition, maximally localized Wannier function, and occupation matrix diagonalization, for assessing how well transition metal oxidation states can be characterized. Here, we study a representative molecular complex, tris(bipyridine)ruthenium. We also consider the influence of water solvation through first-principles molecular dynamics as well as the improved electronic structure description for strongly correlated d-electrons by including Hubbard correction in density functional theory calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermoelectric transport properties of diamond-like Cu{sub 1−x}Fe{sub 1+x}S{sub 2} tetrahedral compounds

Polycrystalline samples with the composition of Cu{sub 1−x}Fe{sub 1+x}S{sub 2} (x = 0, 0.01, 0.03, 0.05, 0.1) were synthesized by a melting-annealing-sintering process. X-ray powder diffraction reveals all the samples are phase pure. The backscattered electron image and X-ray map indicate that all elements are distributed homogeneously in the matrix. The measurements of Hall coefficient, electrical conductivity, and Seebeck coefficient show that Fe is an effective n-type dopant in CuFeS{sub 2}. The electron carrier concentration of Cu{sub 1−x}Fe{sub 1+x}S{sub 2} is tuned within a wide range leading to optimized power factors. The lattice phonons are also strongly scattered by the substitution of Fe for Cu, leading to reduced thermal conductivity. We use Debye approximation to model the low temperature lattice thermal conductivity. It is found that the large strain field fluctuation introduced by the disordered Fe ions generates extra strong phonon scatterings for lowered lattice thermal conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A projection-free method for representing plane-wave DFT results in an atom-centered basis

Plane wave density functional theory (DFT) is a powerful tool for gaining accurate, atomic level insight into bulk and surface structures. Yet, the delocalized nature of the plane wave basis set hinders the application of many powerful post-computation analysis approaches, many of which rely on localized atom-centered basis sets. Traditionally, this gap has been bridged via projection-based techniques from a plane wave to atom-centered basis. We instead propose an alternative projection-free approach utilizing direct calculation of matrix elements of the converged plane wave DFT Hamiltonian in an atom-centered basis. This projection-free approach yields a number of compelling advantages, including strict orthonormality of the resulting bands without artificial band mixing and access to the Hamiltonian matrix elements, while faithfully preserving the underlying DFT band structure. The resulting atomic orbital representation of the Kohn-Sham wavefunction and Hamiltonian provides a gateway to a wide variety of analysis approaches. We demonstrate the utility of the approach for a diverse set of chemical systems and example analysis approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Monte Carlo control loops for cosmic shear cosmology with DES Year 1 data

Weak lensing by large-scale structure is a powerful probe of cosmology and of the dark universe. This cosmic shear technique relies on the accurate measurement of the shapes and redshifts of background galaxies and requires precise control of systematic errors. Monte Carlo control loops (MCCL) is a forward modeling method designed to tackle this problem. It relies on the ultra fast image generator (UFig) to produce simulated images tuned to match the target data statistically, followed by calibrations and tolerance loops. Here, we present the first end-to-end application of this method, on the Dark Energy Survey (DES) Year 1 wide field imaging data. We simultaneously measure the shear power spectrum $C_ℓ$ and the redshift distribution $n(z)$ of the background galaxy sample. The method includes maps of the systematic sources, point spread function (PSF), an approximate Bayesian computation (ABC) inference of the simulation model parameters, a shear calibration scheme, and a fast method to estimate the covariance matrix. We find a close statistical agreement between the simulations and the DES Y1 data using an array of diagnostics. In a nontomographic setting, we derive a set of $C_ℓ$ and $n(z)$ curves that encode the cosmic shear measurement, as well as the systematic uncertainty. Following a blinding scheme, we measure the combination of $Ω_m$, $σ_8$, and intrinsic alignment amplitude $A_{IA}$, defined as $S_8D_{IA}=σ_8(Ω_m/0.3)^{0.5}D_{IA}$, where $D_{IA}=1-0.11(A_{IA}-1)$. We find $S_8D_{IA}=0.8954_{-0.039}^{+0.054}$, where systematics are at the level of roughly 60% of the statistical errors. We discuss these results in the context of earlier cosmic shear analyses of the DES Y1 data. Our findings indicate that this method and its fast runtime offer good prospects for cosmic shear measurements with future wide-field surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

SU-E-I-19: Optimization of Low Contrast Detectability Across Two CT Manufacturers

Purpose: Our goal was to evaluate low contrast detectability (LCD) for abdominal CT protocols across two CT scanner manufacturers, while producing a similar noise texture and CTDIvol for acquired images. Methods: A CIRS tissue equivalent LCD phantom containing three columns of 7 spherical targets, ranging from 10 mm to 2.4 mm, that are 5, 10, and 20 HU below the background matrix (HUBB) was scanned using two a GE HD750 64 slice scanner and a Siemens Somatom Definition AS 64 slice scanner. Protocols were designed to deliver a CTDIvol of 12.26 mGy and images were reconstructed with FBP, ASIR and Sapphire. Comparisons were made with those algorithms that had matching noise power spectrum peaks (NPS). NPS information was extracted from a previously published article that matched NPS peak frequencies across manufacturers by calculating the NPS from uniform phantom images reconstructed with several IR algorithms. Results: The minimum detectable lesion size in the 20 HUBB and 10 HUBB column was 6.3 mm, and 10 mm in the 5 HUBB column for the GE HD 750 scanner. The minimum detectable lesion size in the 20 HUBB column was 4.8 mm, in the 10 HUBB column, 9.5 mm, and the 5 HUBB column, 10 mm for the Siemens Somatom Definition AS. Conclusion: Reducing radiation dose while improving or maintaining LCD is possible with application of IR. However, there are several different IR algorithms, with each generating a different resolution and noise texture. In multi-manufacturer settings, matching only the CTDIvol between manufacturers may Result in a loss of clinically relevant information.

60 APPLIED LIFE SCIENCES↗

Development of Advanced Fuel Cell System (Phase 4)

A multiple-task research and development program was performed to improve the weight, life, and performance characteristics of hydrogen-oxygen alkaline fuel cells for advanced power systems. During Phase 4, the lowest stabilized degradation rate observed in all the testing completed during four phases of the program, 1 microvolt/hour, was demonstrated. This test continues after 5,000 hours of operation. The cell incorporates a PPf anode, a 90Au/10Pt cathode, a hybrid frame, and a Fybex matrix. These elements were developed under this program to extend cell life. The result demonstrated that the 80Au/20Pt cathode is as stable as a 90Au/10Pt cathode of twice the precious metal loading, was confirmed in full-scale cells. A hybrid frame two-cell plaque with dedicated flow fields and manifolds for all fluids was demonstrated to prevent the cell-to cell electrolyte transfer that limited the endurance of multicell plaques. At the conclusion of Phase 4, more than 90,900 hours of testing had been completed and twelve different cell designs had been evaluated. A technology base has been established which is ready for evaluation at the powerplant level.

Meyer, A. P.↗