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At least 559 records · Page 31

An acoustic charge transport imager for high definition television applications

The primary goal of this research is to develop a solid-state television (HDTV) imager chip operating at a frame rate of about 170 frames/sec at 2 Megapixels/frame. This imager will offer an order of magnitude improvements in speed over CCD designs and will allow for monolithic imagers operating from the IR to UV. The technical approach of the project focuses on the development of the three basic components of the imager and their subsequent integration. The camera chip can be divided into three distinct functions: (1) image capture via an array of avalanche photodiodes (APD's); (2) charge collection, storage, and overflow control via a charge transfer transistor device (CTD); and (3) charge readout via an array of acoustic charge transport (ACT) channels. The use of APD's allows for front end gain at low noise and low operating voltages while the ACT readout enables concomitant high speed and high charge transfer efficiency. Currently work is progressing towards the optimization of each of these component devices. In addition to the development of each of the three distinct components, work towards their integration and manufacturability is also progressing. The component designs are considered not only to meet individual specifications but to provide overall system level performance suitable for HDTV operation upon integration. The ultimate manufacturability and reliability of the chip constrains the design as well. The progress made during this period is described in detail.

Hunt, W. D.↗

Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package

Constrained density functional theory (CDFT) is a powerful tool for the prediction of electron transfer parameters in condensed phase simulations at a reasonable computational cost. In this work we present an extension to CDFT in the popular mixed Gaussian/plane wave electronic structure package CP2K, implementing the additional force terms arising from a constraint based on Hirshfeld charge partitioning. This improves upon the existing Becke partitioning scheme, which is prone to give unphysical atomic charges. We verify this implementation for a variety of systems: electron transfer in (H 2 O) 2 + in vacuum, electron tunnelling between oxygen vacancy centers in solid MgO, and electron self-exchange in aqueous Ru 2+ -Ru 3+ . We find good agreement with previous plane-wave CDFT results for the same systems, but at a significantly lower computational cost, and we discuss the general reliability of condensed phase CDFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ferricyanide photo-aquation pathway revealed by combined femtosecond Kβ main line and valence-to-core x-ray emission spectroscopy

Reliably identifying short-lived chemical reaction intermediates is crucial to elucidate reaction mechanisms but becomes particularly challenging when multiple transient species occur simultaneously. Here, we report a femtosecond x-ray emission spectroscopy and scattering study of the aqueous ferricyanide photochemistry, utilizing the combined Fe Kβ main and valence-to-core emission lines. Following UV-excitation, we observe a ligand-to-metal charge transfer excited state that decays within 0.5 ps. On this timescale, we also detect a hitherto unobserved short-lived species that we assign to a ferric penta-coordinate intermediate of the photo-aquation reaction. We provide evidence that bond photolysis occurs from reactive metal-centered excited states that are populated through relaxation of the charge transfer excited state. Beyond illuminating the elusive ferricyanide photochemistry, these results show how current limitations of Kβ main line analysis in assigning ultrafast reaction intermediates can be circumvented by simultaneously using the valence-to-core spectral range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An acoustic charge transport imager for high definition television applications

The primary goal of this research is to develop a solid-state high definition television (HDTV) imager chip operating at a frame rate of about 170 frames/sec at 2 Megapixels per frame. This imager offers an order of magnitude improvement in speed over CCD designs and will allow for monolithic imagers operating from the IR to the UV. The technical approach of the project focuses on the development of the three basic components of the imager and their integration. The imager chip can be divided into three distinct components: (1) image capture via an array of avalanche photodiodes (APD's), (2) charge collection, storage and overflow control via a charge transfer transistor device (CTD), and (3) charge readout via an array of acoustic charge transport (ACT) channels. The use of APD's allows for front end gain at low noise and low operating voltages while the ACT readout enables concomitant high speed and high charge transfer efficiency. Currently work is progressing towards the development of manufacturable designs for each of these component devices. In addition to the development of each of the three distinct components, work towards their integration is also progressing. The component designs are considered not only to meet individual specifications but to provide overall system level performance suitable for HDTV operation upon integration. The ultimate manufacturability and reliability of the chip constrains the design as well. The progress made during this period is described in detail in Sections 2-4.

Hunt, W. D.↗

Semi-Empirical Interatomic Potential for Large-Scale Molecular Dynamics Simulation of Metal-Oxide Systems

Classical molecular dynamics (MD) simulation can be applied to systems containing billions of atoms during times up to microseconds. However, utilization of a large-scale MD simulation requires reliable but computationally cheap interatomic potentials. In the case of metallic systems, embedded atom method (EAM) and Finnis-Sinclair (FS) potentials are the reasonable choices, but their development for multicomponent alloys is a challenge. Addition of oxygen atoms makes the problem of developing semi-empirical potentials even more difficult because the long-range Coulomb interaction cannot be neglected, and different atoms have different charges which vary during MD relaxation such that a charge equilibration procedure should be applied every MD step. As results researchers tend to avoid simulating metal-oxide systems. In this talk, a new Finnis-Sinclair (FS) Ni-Co-Cr potential will be presented. Special attention will be paid to reproducing of the element melting temperatures and clustering. Next, a charge transfer ionic potential (CTIP) developed to simulate the NiO properties will be presented. This potential utilizes the Ni FS potential and accounts for the Coulomb interaction in the vicinity of oxygen atoms. Fitting of the CTIP parameters and FS potential functions describing the interaction with oxygen atoms to the available experimental and ab initio data will be discussed. Results of MD simulation of interaction of NiO particles with dislocations in Ni will be shown.

molecular dynamics simulation↗

Status and future plans for C 3 R&D

C 3 is an opportunity to realize an e + e - collider for the study of the Higgs boson at √s = 250 GeV, with a well defined upgrade path to 550 GeV while staying on the same short facility footprint. C 3 is based on a fundamentally new approach to normal conducting linear accelerators that achieves both high gradient and high efficiency at relatively low cost. Given the advanced state of linear collider designs, the key system that requires technical maturation for C 3 is the main linac. This paper presents the staged approach towards a facility to demonstrate C 3 technology with both Direct (source and main linac) and Parallel (beam delivery, damping ring, ancillary component) R&D. The primary goal of the C 3 Demonstration R&D Plan is to reduce technical and cost risk by building and operating the key components of C 3 at an adequate scale. This R&D plan starts with the engineering design, and demonstration of one cryomodule and will culminate in the construction of a 3 cryomodule linac with pre-production prototypes. This R&D program would also demonstrate the linac rf fundamentals including achievable gradient and gradient stability over a full electron bunch train and breakdown rates. It will also investigate beam dynamics including energy spread, wakefields, and emittance growth. This work will be critical to confirm the suitability of the C 3 beam parameters for the physics reach and detector performance in preparation for a Conceptual Design Report (CDR), as well as for follow-on technology development and industrialization. The C 3 Demonstration R&D Plan will open up significant new scientific and technical opportunities based on development of high-gradient and high-efficiency accelerator technology. It will push this technology to operate both at the GeV scale and mature the technology to be reliable and provide high-brightness electron beams. The timeline for progressing with C 3 technology development will be governed by practical limitations on both the technical progress and resource availability. It consists of four stages: Stage 0) Ongoing fundamental R&D on structure prototypes, damping and vibrations. Stage 1) Advancing the engineering maturity of the design and developing start-to-end simulations including space-charge and wakefield effects. This stage will include testing of strucutres operating at cryogenic temperatures. Beam tests would be performed with high beam current to test full beam loading. Stage 2) Production and testing of the first cryomodule at cryogenic temperatures. This would provide sufficient experimental data to compile a CDR and it is anticipated for Stage 2 to last 3 years and to culminate with the transport of photo-electrons through the first cryomodule. Stage 3) Updates to the engineering design of the cryomodules, production of the second and third cryomodule and their installation. Lower charge and lower emittance beams will be used to investigate emittance growth. The successful full demonstration of the 3 cryomodules to deliver up to a 3 GeV beam and achieve the C 3 five gradient will allow a comprehensive and robust evaluation of the technical design of C 3 as well as mitigate technical, schedule, and cost risks required to proceed with a Technical Design Report (TDR).

radiation hardened magnets↗

Adaptive Mesh Refinement for Microelectronic Device Design

Finite element and finite volume methods are used in a variety of design simulations when it is necessary to compute fields throughout regions that contain varying materials or geometry. Convergence of the simulation can be assessed by uniformly increasing the mesh density until an observable quantity stabilizes. Depending on the electrical size of the problem, uniform refinement of the mesh may be computationally infeasible due to memory limitations. Similarly, depending on the geometric complexity of the object being modeled, uniform refinement can be inefficient since regions that do not need refinement add to the computational expense. In either case, convergence to the correct (measured) solution is not guaranteed. Adaptive mesh refinement methods attempt to selectively refine the region of the mesh that is estimated to contain proportionally higher solution errors. The refinement may be obtained by decreasing the element size (h-refinement), by increasing the order of the element (p-refinement) or by a combination of the two (h-p refinement). A successful adaptive strategy refines the mesh to produce an accurate solution measured against the correct fields without undue computational expense. This is accomplished by the use of a) reliable a posteriori error estimates, b) hierarchal elements, and c) automatic adaptive mesh generation. Adaptive methods are also useful when problems with multi-scale field variations are encountered. These occur in active electronic devices that have thin doped layers and also when mixed physics is used in the calculation. The mesh needs to be fine at and near the thin layer to capture rapid field or charge variations, but can coarsen away from these layers where field variations smoothen and charge densities are uniform. This poster will present an adaptive mesh refinement package that runs on parallel computers and is applied to specific microelectronic device simulations. Passive sensors that operate in the infrared portion of the spectrum as well as active device simulations that model charge transport and Maxwell's equations will be presented.

Cwik, Tom↗

Heliospheric Physics and NASA's Vision for Space Exploration

The Vision for Space Exploration outlines NASA's development of a new generation of human-rated launch vehicles to replace the Space Shuttle and an architecture for exploring the Moon and Mars. The system--developed by the Constellation Program--includes a near term (approx. 2014) capability to provide crew and cargo service to the International Space Station after the Shuttle is retired in 2010 and a human return to the Moon no later than 2020. Constellation vehicles and systems will necessarily be required to operate efficiently, safely, and reliably in the space plasma and radiation environments of low Earth orbit, the Earth's magnetosphere, interplanetary space, and on the lunar surface. This presentation will provide an overview of the characteristics of space radiation and plasma environments relevant to lunar programs including the trans-lunar injection and trans-Earth injection trajectories through the Earth's radiation belts, solar wind surface dose and plasma wake charging environments in near lunar space, energetic solar particle events, and galactic cosmic rays and discusses the design and operational environments being developed for lunar program requirements to assure that systems operate successfully in the space environment.

Minow, Joseph I.↗

Detector Response and Battery Reliability

The Sandia National Laboratories (SNL) Material Control and Accountability (MC&A) measurements team performs confirmation measurements of Special Nuclear Material (SNM) at different locations around Sandia. The measurement team has access to two High purity Germanium (HPGe) detectors, the AEGIS (Model: AEGIS-BEGE5030), and the ORTEC (Model: trans-SPEC-DX-100). These two can operate purely on battery power, but the response of the detectors while on battery power is not well documented. To enhance our knowledge with these detectors the team wants to investigate the detectors response to changes in battery range, wall charging, and mid operation battery swaps (Hot Swaps).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Reliability of Semiconductor Laser Packaging in Space Applications

A typical set up used to perform lifetime tests of packaged, fiber pigtailed semiconductor lasers is described, as well as tests performed on a set of four pump lasers. It was found that two lasers failed after 3200, and 6100 hours under device specified bias conditions at elevated temperatures. Failure analysis of the lasers indicates imperfections and carbon contamination of the laser metallization, possibly from improperly cleaned photo resist. SEM imaging of the front facet of one of the lasers, although of poor quality due to the optical fiber charging effects, shows evidence of catastrophic damage at the facet. More stringent manufacturing controls with 100% visual inspection of laser chips are needed to prevent imperfect lasers from proceeding to packaging and ending up in space applications, where failure can result in the loss of a space flight mission.

Gontijo, Ivair↗

Between Harmonic Crystal and Glass: Solids with Dimpled Potential-Energy Surfaces Having Multiple Local Energy Minima

Solids with dimpled potential-energy surfaces are ubiquitous in nature and, typically, exhibit structural (elastic or phonon) instabilities. Dimpled potentials are not harmonic; thus, the conventional quasiharmonic approximation at finite temperatures fails to describe anharmonic vibrations in such solids. At sufficiently high temperatures, their crystal structure is stabilized by entropy; in this phase, a diffraction pattern of a periodic crystal is combined with vibrational properties of a phonon glass. As temperature is lowered, the solid undergoes a symmetry-breaking transition and transforms into a lower-symmetry phase with lower lattice entropy. Here, we identify specific features in the potential-energy surface that lead to such polymorphic behavior; we establish reliable estimates for the relative energies and temperatures associated with the anharmonic vibrations and the solid–solid symmetry-breaking phase transitions. We show that computational phonon methods can be applied to address anharmonic vibrations in a polymorphic solid at fixed temperature. To illustrate the ubiquity of this class of materials, we present a range of examples (elemental metals, a shape-memory alloy, and a layered charge-density-wave system); we show that our theoretical predictions compare well with known experimental data.

36 MATERIALS SCIENCE↗

Impact of Solar Array Designs on High Voltage Operations

As power levels of advanced spacecraft climb above 25 kW, higher solar array operating voltages become attractive. Even in today s satellites, operating spacecraft buses at 100 V and above has led to arcing in GEO communications satellites, so the issue of spacecraft charging and solar array arcing remains a design problem. In addition, micrometeoroid impacts on all of these arrays can also lead to arcing if the spacecraft is at an elevated potential. For example, tests on space station hardware disclosed arcing at 75V on anodized A1 structures that were struck with hypervelocity particles in Low Earth Orbit (LEO) plasmas. Thus an understanding of these effects is necessary to design reliable high voltage solar arrays of the future, especially in light of the Vision for Space Exploration of NASA. In the future, large GEO communication satellites, lunar bases, solar electric propulsion missions, high power communication systems around Mars can lead to power levels well above 100 kW. As noted above, it will be essential to increase operating voltages of the solar arrays well above 80 V to keep the mass of cabling needed to carry the high currents to an acceptable level. Thus, the purpose of this paper is to discuss various solar array approaches, to discuss the results of testing them at high voltages, in the presence of simulated space plasma and under hypervelocity impact. Three different types of arrays will be considered. One will be a planar array using thin film cells, the second will use planar single or multijunction cells and the last will use the Stretched Lens Array (SLA - 8-fold concentration). Each of these has different approaches for protection from the space environment. The thin film cell based arrays have minimal covering due to their inherent radiation tolerance, conventional GaAs and multijunction cells have the traditional cerium-doped microsheet glasses (of appropriate thickness) that are usually attached with Dow Corning DC 93-500 silicone adhesive. In practice, these cover glasses and adhesive do not cover the cell edges. Finally, in the SLA, the entire cell and cell edges are fully encapsulated by a cover glass that overhangs the cell perimeter and the silicone adhesive covers the cell edges providing a sealed environment. These three types of blanket technology have been tested at GRC and Auburn. The results of these tests will be described. For example, 15 modules composed of four state-of-the-art 2x4 cm GaAs solar cells with 150 pm cover glasses connected in two-cell series strings were tested at high voltage, in plasma under hypervelocity impact. A picture of one of the modules is shown in figure 1. These were prepared by standard industry practice from a major supplier and had efficiencies above 18%. The test results and other fabrication factors that influenced the tests will be presented. In addition, results for SLA segments tested under the same conditions will be presented. Testing of thin film blankets at GRC will also be presented. Figure 1 : Typical GaAs Solar Cell Module These results will show significant differences in resistance to arcing that are directly related to array design and manufacturing procedures. Finally, the approaches for mitigating the problems uncovered by these tests will be described. These will lay the foundation for future higher voltage array operation, even including voltages above 300-600 V for direct drive SEP applications.

Brandhorst, Henry W., Jr.↗

Chapter 8: Life-Cycle Testing and Analysis

Prior to a spacecraft launch, program mission assurance standards dictate that the flight battery power system should comply with mission requirements under the intended operating conditions. Ground life cycle testing (LCT) combined with an analysis on the electrical power system (EPS) battery is an empirical method used to demonstrate compliance to satellite service life requirements. The LCT compliance method adopted by the aerospace industry is based on demonstrating a space battery's life expectancy as a part of battery qualification. Real-time cell and lithium-ion battery (LIB) LCT data are commonly used for model inputs to EPS power and energy balance analyses, in LIB reliability analysis estimates, and to support on-orbit spacecraft mission life extension opportunities. This chapter describes the LCT planning steps, process approach, and analysis techniques commonly used to qualify space LIB power systems.

accelerated aging↗

Impacts on product quality attributes of monoclonal antibodies produced in CHO cell bioreactor cultures during intentional mycoplasma contamination events

Abstract A mycoplasma contamination event in a biomanufacturing facility can result in costly cleanups and potential drug shortages. Mycoplasma may survive in mammalian cell cultures with only subtle changes to the culture and penetrate the standard 0.2‐µm filters used in the clarification of harvested cell culture fluid. Previously, we reported a study regarding the ability of Mycoplasma arginini to persist in a single‐use, perfusion rocking bioreactor system containing a Chinese hamster ovary (CHO) DG44 cell line expressing a model monoclonal immunoglobulin G 1 (IgG1) antibody. Our previous work showed that M. arginini affects CHO cell growth profile, viability, nutrient consumption, oxygen use, and waste production at varying timepoints after M. arginini introduction to the culture. Careful evaluation of certain identified process parameters over time may be used to indicate mycoplasma contamination in CHO cell cultures in a bioreactor before detection from a traditional method. In this report, we studied the changes in the IgG1 product quality produced by CHO cells considered to be induced by the M. arginini contamination events. We observed changes in critical quality attributes correlated with the duration of contamination, including increased acidic charge variants and high mannose species, which were further modeled using principal component analysis to explore the relationships among M. arginini contamination, CHO cell growth and metabolites, and IgG1 product quality attributes. Finally, partial least square models using NIR spectral data were used to establish predictions of high levels (≥10 4 colony‐forming unit [CFU/ml]) of M. arginini contamination, but prediction of levels below 10 4 CFU/ml were not reliable. Contamination of CHO cells with M. arginini resulted in significant reduction of antibody product quality, highlighting the importance of rapid microbiological testing and mycoplasma testing during particularly long upstream bioprocesses to ensure product safety and quality.

60 APPLIED LIFE SCIENCES↗

Microelectrode Arrays for Electrochemical Cycling of Individual Battery Particles

The electrochemical characterization of battery materials is usually performed on porous electrodes containing conductive additives, binders, and ensembles of redox-active particles at densities as high as 10 15 cm –3 . These complex structures often obscure individual battery particles’ intrinsic properties, hindering insights into the fundamentals of battery electrochemistry. To address this challenge, we developed microelectrode arrays to enable the charge and discharge of individual battery particles in liquid electrolytes. In this Methods and Protocols paper, we describe the fabrication of the microelectrode array chips, the assembly of particles onto microelectrodes, and the different types of electrochemical techniques that can be used, including galvanostatic cycling, cyclic voltammetry, potentiostatic intermittent titration, and electrochemical impedance spectroscopy. We use micron-sized lithium cobalt oxide as a model system to showcase the reliability and versatility of single-particle electrochemical experiments enabled by our microelectrode array. In conclusion, we aim to provide a detailed description to promote future uses of microelectrode arrays in fundamental research of batteries and other electrochemical systems.

25 ENERGY STORAGE↗

An integrated transportation-power system model for a decarbonizing world

Rising demand for electricity from electric vehicles (EVs) will require new paradigms to guarantee reliable and low-cost electricity. This study couples an agent-based travel demand simulator and an electricity grid model to assess the economic costs of supplying power to meet EVs' added demand across the Chicago region. Results suggest that shifting from personal EVs to a fleet of shared, fully-automated all-electric vehicles (SAEVs) could lower per-mile emissions, congestion, and embodied vehicle and charging infrastructure emissions. Further, the results should compel policymakers to shift the cost of providing power onto commercial customers, like electric ride-hail fleets, through price-indexed electricity prices, which can shift charging to off-peak periods or away from resource-scarce hours.

Integrated modeling↗

Impact of cross-section uncertainties on supernova neutrino spectral parameter fitting in the Deep Underground Neutrino Experiment

A primary goal of the upcoming Deep Underground Neutrino Experiment (DUNE) is to measure the 𝒪⁡(10) MeV neutrinos produced by a Galactic core-collapse supernova if one should occur during the lifetime of the experiment. The liquid-argon-based detectors planned for DUNE are expected to be uniquely sensitive to the 𝜈 𝑒 component of the supernova flux, enabling a wide variety of physics and astrophysics measurements. A key requirement for a correct interpretation of these measurements is a good understanding of the energy-dependent total cross section 𝜎⁡(𝐸 𝜈 ) for charged-current 𝜈 𝑒 absorption on argon. In the context of a simulated extraction of supernova 𝜈 𝑒 spectral parameters from a toy analysis, we investigate the impact of 𝜎⁡(𝐸 𝜈 ) modeling uncertainties on DUNE’s supernova neutrino physics sensitivity for the first time. We find that the currently large theoretical uncertainties on 𝜎⁡(𝐸 𝜈 ) must be substantially reduced before the 𝜈𝑒 flux parameters can be extracted reliably; in the absence of external constraints, a measurement of the integrated neutrino luminosity with less than 10% bias with DUNE requires 𝜎⁡(𝐸 𝜈 ) to be known to about 5%. The neutrino spectral shape parameters can be known to better than 10% for a 20% uncertainty on the cross-section scale, although they will be sensitive to uncertainties on the shape of 𝜎⁡(𝐸 𝜈 ). A direct measurement of low-energy 𝜈𝑒-argon scattering would be invaluable for improving the theoretical precision to the needed level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗