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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 919 records · Page 51

Nonlinear light-output calibration of the oxygenated xylene scintillators used in OMEGA neutron time-of-flight spectrometers

Neutron time-of-flight (nTOF) spectrometers are essential instruments for measuring and evaluating the performance of inertial confinement fusion implosions. The neutron spectrometers utilized for the OMEGA laser include two liquid-based scintillators, each consisting of a large volume filled with xylene that is coupled to four photomultiplier tubes. Analysis of the signal from these detectors requires detailed knowledge of the scintillator’s light output, which is needed to fit the nTOF spectrum, from which the neutron energy spectrum is informed. The light output is nonlinearly proportional to the neutron energy, which, in turn, affects the interpretation of the neutron energy spectrum from a TOF signal. A recent campaign on OMEGA was performed to calibrate the xylene detectors and infer the shape of the light-output curve. The campaign utilized materials with increasing Z placed in the OMEGA target chamber to initiate scattering events with the 14 MeV fusion neutrons. This process leads to the production of backscatter neutrons of varying energies that appear as peaks in the nTOF data. Simulations using a neutron transport code were combined with the measured deuterium–tritium neutron yields to calculate the expected backscattered neutron yields from the well-known scattering cross sections of each material. Furthermore, the neutron-energy dependent light output of the scintillator inferred from the experiment is compared to the light-output curve simulated with a neutron transport code for the following neutron energies: 1.5, 2.5, 6, and 14 MeV.

47 OTHER INSTRUMENTATION↗

Survivability of Microbes in Mars Wind Blown Dust Environment

Although the probability of Earth microbes growing (dividing) in the Martian environment is extremely low, the probability of their survival on the Martian surface is unknown. During the course of landed missions to Mars terrestrial microbes may reach the surface of Mars via inadequately sterilized spacecraft landers, rovers, or through accidental impact of orbiters. This investigation studied the potential for Earth microbes to survive in the windblown dust on the surface of Mars. The rationale for the study comes from the fact that Mars regularly has huge dust storms that engulf the planet, shading the surface from solar UV radiation. These storms serve as a mechanism for global transfer of dust particles. If live organisms were to be transported to the surface of Mars they could be picked up with the dust during a dust storm and transported across the planet. Washed, dried spores of Bacillus subtilis strain HA 101 were aseptically mixed with sterile sieved (size range of 1-5microns) Mars soil standard (obtained from NASA Johnson Space Center, Houston, Texas, USA), or Fe-montmorillonite such that the number of microbes equals 5 x 10(exp 6)/g dry wt soil. The microbe soil mixture was placed in a spherical 8 L Mars simulation chamber equipped with a variable speed rotor, gas ports and an Oriel deuterium UV lamp emitting light of wave lengths 180-400 nm. The chamber was sealed, flushed with a simulated Martian atmosphere (96.9% CO2, 3% O2, 0.1% H2O), and the pressure brought to 10 torr. The lamp and rotor were switched on to begin the experiment. Periodically samples were collected from the chamber, and the numbers of microbial survivors g soil was determined using plate counts and the most probable number method (MPN). The data indicate that Bacillus subtilis spores dispersed with Mars analog soil in a Mars atmosphere (wind blown dust) survive exposure to 5.13 KJ m-2 UV radiation, suggesting that Mars wind blown dust has potential to the protect microbes from solar UV radiation.

Mancinelli, Rocco L.↗

Timing is everything: diel metabolic and physiological changes in the diatom Cyclotella cryptica grown in simulated outdoor conditions

Microalgal cultures grown on a light-dark cycle experience diel patterns in metabolic and physiological processes, including cell cycle synchronization, but the implications for productivity in terms of biomass and commerciallyappealing molecules are not commonly appreciated. Despite a long history of diel response studies, only recently have photobioreactor technology advances enabled the use of sinusoidal light and temperature to more accurately mimic outdoor conditions. The present study investigates cell cycle progression and dynamic changes in biomass, triacylglycerol (TAG), and photosynthetic pigments on a 24-hour scale in the diatom Cyclotella cryptica grown using a sinusoidal light and temperature regime. Cell division synchronized to occur predominantly in the middle of the light period and biomass started to increase several hours earlier, as the cells prepared to divide. TAG levels increased during the day and decreased at night, with a mid-day dip corresponding to the time when lipid needs for cell divisionassociated membrane biosynthesis would be high. For the first time, photosynthetic pigment dynamics data, obtained with higher temporal resolution than previously reported for microalgae, was overlaid with cell cycle progression, indicating that while some photosynthetic pigments respond primarily to light, others are influenced by the cell cycle. Another novel observation was that the abundance of most photosynthetic pigments also fluctuated substantially on a rapid time scale during dawn, dusk, and the beginning of the dark period. Additionally, the results indicate that in a synchronized culture, potential product yields change substantially throughout the day. This may inform harvest timing to significantly increase yield.

microalgae, biofuels, Cell Lipids↗

The basics of quantum computing for chemists

The rapid and successful strides in quantum chemistry in the past decades can be largely credited to a conspicuous synergy between theoretical and computational advancements. However, the architectural computer archetype that enabled such a progress is approaching a state of more stagnant development. One of the most promising technological avenues for the continuing progress of quantum chemistry is the emerging quantum computing paradigm. This revolutionary proposal comes with several challenges, which span a wide array of disciplines. In chemistry, it implies, among other things, a need to reformulate some of its long established cornerstones in order to adjust to the operational demands and constraints of quantum computers. Due to its relatively recent emergence, much of quantum computing may still seem fairly nebulous and largely unknown to most chemists. It is in this context that here we review and illustrate the basic aspects of quantum information and their relation to quantum computing insofar as enabling simulations of quantum chemistry. As a result, we consider some of the most relevant developments in light of these aspects and discuss the current landscape when of relevance to quantum chemical simulations in quantum computers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spectral Bio-indicator Simulations for Tracking Photosynthetic Activities in a Corn Field

Accurate assessment of vegetation canopy optical properties plays a critical role in monitoring natural and managed ecosystems under environmental changes. In this context, radiative transfer (RT) models simulating vegetation canopy reflectance have been demonstrated to be a powerful tool for understanding and estimating spectral bio-indicators. In this study, two narrow band spectroradiometers were utilized to acquire observations over corn canopies for two summers. These in situ spectral data were then used to validate a two-layer Markov chain-based canopy reflectance model for simulating the Photochemical Reflectance Index (PRI), which has been widely used in recent vegetation photosynthetic light use efficiency (LUE) studies. The in situ PRI derived from narrow band hyperspectral reflectance exhibited clear responses to: 1) viewing geometry which affects the asset of light environment; and 2) seasonal variation corresponding to the growth stage. The RT model (ACRM) successfully simulated the responses to the variable viewing geometry. The best simulations were obtained when the model was set to run in the two layer mode using the sunlit leaves as the upper layer and shaded leaves as the lower layer. Simulated PRI values yielded much better correlations to in situ observations when the cornfield was dominated by green foliage during the early growth, vegetative and reproductive stages (r = 0.78 to 0.86) than in the later senescent stage (r = 0.65). Further sensitivity analyses were conducted to show the important influences of leaf area index (LAI) and the sunlit/shaded ratio on PRI observations.

Cheng, Yen-Ben↗

Single Bubble Sonoluminescence in Low Gravity and Optical Radiation Pressure Positioning of the Bubble

Several groups of researchers have demonstrated that high frequency sound in water may be used to cause the regular repeated compression and luminescence of a small bubble of gas in a flask. The phenomenon is known as single bubble sonoluminescence (SBSL). It is potentially important because light emitted by the bubble appears to be associated with a significant concentration of energy within the volume of the bubble. Unfortunately, the detailed physical mechanisms causing the radiation of light by oscillating bubbles are poorly understood and there is some evidence that carrying out experiments in a weightless environment may provide helpful clues. In addition, the radiation pressure of laser beams on the bubble may provide a way of simulating weightless experiments in the laboratory. The standard model of SBSL attributes the light emission to heating within the bubble by a spherically imploding shock wave to achieve temperatures of 50,000 K or greater. In an alternative model, the emission is attributed to the impact of a jet of water which is required to span the bubble and the formation of the jet is linked to the buoyancy of the bubble. The coupling between buoyancy and jet formation is a consequence of the displacement of the bubble from a velocity node (pressure antinode) of the standing acoustic wave that drives the radial bubble oscillations. One objective of this grant is to understand SBSL emission in reduced buoyancy on KC-135 parabolic flights. To optimize the design of those experiments and for other reasons which will help resolve the role of buoyancy, laboratory experiments are planned in simulated low gravity in which the radiation pressure of laser light will be used to position the bubble at the acoustic velocity node of the ultrasonic standing wave. Laser light will also be used to push the bubble away from the velocity node, increasing the effective buoyancy. The original experiments on the optical levitation and radiation pressure on bubbles in water by Unger and Marston noted above were carried out using a continuous wave (CW) beam of an Argon laser. For lateral stability the beam had a intensity minimum along its axis. Calculations of the optical radiation force on an SBSL bubble indicate that ion laser technology is a poor choice for providing the magnitude of the average optical radiation force required. Consequently it is necessary to examine various diode-pumped solid state laser technologies. The approach for this part of the research will be to achieve optical levitation of a quiescent bubble based on contemporary laser technology and then to strobe the laser synchronously with the SBSL bubble oscillations.

Thiessen, D. B.↗

Rancor Microworld Simulation Environment for Nuclear Process Control

The Rancor Microworld is a simplified nuclear power plant simulator. It represents the process of an integrated pressurized light water reactor core with a secondary Rankine cycle turbine/generator. The reactor core is governed by simplified core physics. Operators have the ability to raise and lower control rods to change the reactivity and consequently generate more or less electricity. The microworld provides a digital human machine interface for operating and monitoring the plant efficiently to maximize profits within the simulation. The simulation supports multi-unit operations analogous to small modular reactor plants and supports faults on various components within each unit to simulate some common training scenarios such as reactor and turbine trip events. The microworld includes experimental modules to log process parameters and both automated and user control inputs and events, administer situation awareness probes, and interface with eye tracking software.

Ulrich, ThomasA.↗

Uncertainty quantification in multiscale simulation of woven fiber composites

We report woven fiber composites have been increasingly employed as light-weight materials in aerospace, construction, and transportation industries due to their superior properties. These materials possess a hierarchical structure that necessitates the use of multiscale simulations in their modeling. To account for the inherent uncertainty in materials, such simulations must be integrated with statistical uncertainty quantification (UQ) and propagation (UP) methods. However, limited advancement has been made in this regard due to the significant computational costs and complexities in modeling spatially correlated structural variations coupled at different scales. In this work, a non-intrusive approach is proposed for multiscale UQ and UP to address these limitations. We introduce the top-down sampling method that allows to model non-stationary and continuous (but not differentiable) spatial variations of uncertainty sources by creating nested random fields (RFs) where the hyperparameters of an ensemble of RFs is characterized by yet another RF. We employ multi-response Gaussian RFs in top-down sampling and leverage statistical techniques (such as metamodeling and dimensionality reduction) to address the considerable computational costs of multiscale simulations. We apply our approach to quantify the uncertainty in a cured woven composite due to spatial variations of yarn angle, fiber volume fraction, and fiber misalignment angle. Finally, our results indicate that, even in linear analysis, the effect of uncertainty sources on the material’s response could be significant.

42 ENGINEERING↗

Simulation INsight and Analysis

Sina is a tool set for modern scientific data management that provides flexible, light-weight support of non-bulk data capture for retention in and queries against SQL and noSQL data stores. HPC simulations traditionally maintain their data in files. Extracting data of interest for subsequent analysis then requires the time-consuming process of traversing directories and scraping data from files in a variety of formats. Sina facilitates capturing relevant data during execution or post-processing of simulation runs for retention in and queries from a modern data store. The tools are sufficiently general to allow for the inclusion of new fields as scientists learn more about their data. Libraries, currently in C++ and Python, and a command line interface (CLI) are provided. Sina's flexibility starts with a general schema, in JSON, for the collection of non-bulk simulation data. JSON provides a flexible, human-readable representation of the data that of interest. Sina currently has a C++ library for simulations to write data to and read from a schema-compliant file for subsequent ingestion into one of the supported data stores. However, applications are free to write their data directly into a schema-compliant file. Python packages provide data ingestion, management, query, and export capabilities. A command line interface (CLI) provides simplified access to these features. A common application programming interface (API) is used to maintain and query data in any of the supported data stores, which are currently limited to SQL and Apache Cassandra (a column store). Tutorials, demonstrations, and examples illustrate aspects of the process using scripts and Jupyter notebooks.

Pauli, EstebanT↗

Developments in SRW Code and Sirepo Framework Supporting Simulation of Time-Dependent Coherent X-ray Scattering Experiments

Physical optics simulations for beamlines and experiments are essential for the effective use of synchrotron light source facilities such as NSLS-II at BNL. The SRW software package supports such source-to-detector simulations for coherent X-ray scattering and imaging experiments through its Python interface and Sirepo browser-based graphical user interface. This allows one to define custom sample models, assess the feasibility of an experiment, and estimate most appropriate beamline settings before using valuable beamtime. We discuss the recent use of general-purpose GPU resources and coherent mode decomposition algorithms in SRW to accelerate physical optics simulations with partially coherent X-rays. To illustrate these new capabilities, we describe simulations of typical time series of partially coherent scattering images used in X-ray Photon Correlation Spectroscopy (XPCS) experiments; aiming to characterize the nanoscale dynamics of a disordered sample, representing a solution of nanoparticles undergoing Brownian diffusion.

36 MATERIALS SCIENCE↗

Effect of nickel on the oxidation behavior of FeCrAl alloy in simulated PWR and BWR conditions

FeCrAl alloys are being investigated as candidate materials for light water reactor fuel claddings. The chemical composition of FeCrAl determines its resistance to corrosion under normal operating conditions. The purpose of this paper is to investigate the effect of 0, 1, 3 wt% Ni addition on the passivation characteristics of Fe17Cr5.5Al in oxygenated and hydrogenated simulated reactor waters for 3-month immersion. Current results show that Ni addition improves the passivation of FeCrAl under oxygenated condition and decreases the mass loss under hydrogenated conditions.

36 MATERIALS SCIENCE↗

The Landscape of Thermal Transients from Supernovae Interacting with a Circumstellar Medium

The interaction of supernova ejecta with a surrounding circumstellar medium (CSM) generates a strong shock, which can convert ejecta kinetic energy into observable radiation. Given the diversity of potential CSM structures (arising from diverse mass-loss processes such as late-stage stellar outbursts, binary interaction, and winds), the resulting transients can display a wide range of light-curve morphologies. We provide a framework for classifying the transients arising from interaction with a spherical CSM shell. The light curves are decomposed into five consecutive phases, starting from the onset of interaction and extending through shock breakout and subsequent shock cooling. The relative prominence of each phase in the light curve is determined by two dimensionless quantities representing the CSM-to-ejecta mass ratio η, and the breakout parameter ξ. These two parameters define four light-curve morphology classes, where each class is characterized by the location of the shock breakout and the degree of deceleration as the shock sweeps up the CSM. We compile analytic scaling relations connecting the luminosity and duration of each light-curve phase to the physical parameters. We then run a grid of radiation hydrodynamics simulations for a wide range of ejecta and CSM parameters to numerically explore the landscape of interaction light curves, and to calibrate and confirm the analytic scalings. We connect our theoretical framework to several case studies of observed transients, highlighting the relevance in explaining slow-rising and superluminous supernovae, fast blue optical transients, and double-peaked light curves.

79 ASTRONOMY AND ASTROPHYSICS↗

Stellar splashback: the edge of the intracluster light

We examine the outskirts of galaxy clusters in the C-EAGLE simulations to quantify the ‘edges’ of the stellar and dark matter distribution. The radius of the steepest slope in the dark matter, commonly used as a proxy for the splashback radius, is located at $\sim \, r_{200 \rm m}$; the strength and location of this feature depends on the recent mass accretion rate, in good agreement with previous work. Interestingly, the stellar distribution (or intracluster light, ICL) also has a well-defined edge, which is directly related to the splashback radius of the halo. Thus, detecting the edge of the ICL can provide an independent measure of the physical boundary of the halo, and the recent mass accretion rate. We show that these caustics can also be seen in the projected density profiles, but care must be taken to account for the influence of substructures and other non-diffuse material, which can bias and/or weaken the signal of the steepest slope. This is particularly important for the stellar material, which has a higher fraction bound in subhaloes than the dark matter. Finally, we show that the ‘stellar splashback’ feature is located beyond current observational constraints on the ICL, but these large projected distances (>> 1 Mpc) and low surface brightnesses (μ>>32 mag arcsec -2 ) can be reached with upcoming observational facilities such as the Vera C. Rubin Observatory, the Nancy Grace Roman Space Telescope, and Euclid.

79 ASTRONOMY AND ASTROPHYSICS↗

U.S. Light-Duty Vehicle Air Conditioning Fuel Use and Impact of Solar/Thermal Control Technologies

To reduce fuel consumption and carbon dioxide (CO2) emissions from mobile air conditioning (A/C) systems, 'U.S. Light-Duty Vehicle Greenhouse Gas Emissions and Corporate Average Fuel Economy Standards' identified solar/thermal technologies such as solar control glazings, solar reflective paint, and active and passive cabin ventilation in an off-cycle credit menu. National Renewable Energy Laboratory (NREL) researchers developed a sophisticated analysis process to calculate U.S. light-duty A/C fuel use that was used to assess the impact of these technologies, leveraging thermal and vehicle simulation analysis tools developed under previous U.S. Department of Energy projects. Representative U.S. light-duty driving behaviors and weighting factors including time-of-day of travel, trip duration, and time between trips were characterized and integrated into the analysis. In addition, U.S. weather conditions weighted based on light-duty vehicle registrations were generated and used for the analysis. Three representative vehicle types for the light-duty fleet were selected based on registration data containing vehicle size information. These key inputs were used to support a weighted parametric analysis that quantified vehicle thermal load, vehicle accessory load, and vehicle fuel use. This analysis estimates that 7.6 billion gallons of fuel a year are used in the United States for vehicle A/C, equivalent to 6.1% of the total national light-duty vehicle fuel use. This equates to 30.0 gallons/year per vehicle or 23.5 grams CO 2 per mile (g/mi) for an average U.S. light-duty vehicle. A/C is a significant contributor to national fuel use; therefore, technologies that reduce A/C loads have an opportunity to reduce fuel consumption, reduce imported oil, and improve energy security. Implementing solar control glass reduced the CO 2 emissions by 2.0 g/mi and the reduction due to solar reflective paint was 0.8 g/mi. The active and passive ventilation strategies as defined in this analysis only reduced emissions by 0.1 and 0.2 g/mi, respectively. This analysis shows the potential to reduce operational costs, A/C fuel use, and CO 2 emissions by implementing advanced vehicle climate control technologies including the solar/thermal technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Three-Dimensional Model of Holographic Formation of Inhomogeneous PPLC Diffraction Structures

A three-dimensional theoretical model of holographic formation of inhomogeneous diffraction structures in composite photopolymer - liquid crystal materials is presented considering both the nonlinearity of recording and the amplitude-phase inhomogeneity of the recording light field. Based on the results of numerical simulation, the kinematics of formations of such structures and their spatial profile are investigated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Self-aligned concentrating immersion-lens arrays for patterning and efficiency recovery in scaffold-reinforced perovskite solar cells

In contrast to existing silicon, CIGS, and multi-junction cells that exhibit remarkable mechanical durability, perovskite solar cells have been shown to delaminate when subjected to the mechanical loads that occur during processing and field exposures, limiting their potential as a reliable solar technology. Mechanical reinforcement is thus essential for durable and reliable perovskite technologies. One current strategy to overcome the thermomechanical fragility of perovskite solar cells is to extrinsically shield them by introducing reinforcing scaffolds which partition the cell into many distinct microcells, but improvements in mechanical stability coincide with a reduced device efficiency due to parasitic absorption by the scaffold. We address this reduced efficiency by integrating concentrating immersion-lens arrays (CILAs) into scaffold-reinforced solar cells. These scaffolds are lithographically patterned by a maskless process, in which ultraviolet light is used to pattern the scaffolds through the CILAs, ensuring self-alignment and optical contact with the microcells. Perovskite devices are deposited into the microcells, and during operation, light is concentrated into the microcells and away from the insulating scaffolds, resulting in mechanically resilient solar cells with efficiencies comparable to planar devices. The CILAs also exhibit passive tracking of incident light—verified experimentally and with ray-tracing simulations—which is critical for optimal power output as the sun moves across the sky during the day. The simplicity of the fabrication process and the efficiency of the resulting scaffolded devices show that a lens-integrated scaffold-reinforced structure is a potential pathway to high-performance, robust, commercially viable perovskite solar cells.

14 SOLAR ENERGY↗

Numerical simulation of NSLS-II fast orbit feedback system

We discuss recent work on the construction of a numerical simulation of the fast orbit feedback system at NSLS-II. The simulation operates in the time domain and also includes the spatial domain, i.e. all beam position monitors (BPMs) and correctors. It can accept inputs of the real beam orbit and the measured orbit response matrix. It can also add errors to every stage of the calculation. We present methods to verify the simulation results by comparing the simulation results with experimental data collected at NSLS-II. The results are in very good agreement. The effects of errors from BPMs and correctors, as well as the amplitude of excitation, on the feedback performance, are also explored. This simulation can be used to predict the behavior and performance of the system for a future upgrade.

36 MATERIALS SCIENCE↗