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DOE OSTI2019

Simulated XUV photoelectron spectra of THz-pumped liquid water

Highly intense, sub-picosecond terahertz (THz) pulses can be used to induce ultrafast temperature jumps (T-jumps) in liquid water. A supercritical state of gas-like water with liquid density is established, and the accompanying structural changes are expected to give rise to time-dependent chemical shifts. We investigate the possibility of using extreme ultraviolet photoelectron spectroscopy as a probe for ultrafast dynamics induced by sub-picosecond THz pulses of varying intensities and frequencies. To this end, we use ab initio methods to calculate photoionization cross sections and photoelectron energies of (H 2 O) 20 clusters embedded in an aqueous environment represented by point charges. The cluster geometries are sampled from ab initio molecular dynamics simulations modeling the THz-water interactions. Here we find that the peaks in the valence photoelectron spectrum are shifted by up to 0.4 eV after the pump pulse and that they are broadened with respect to unheated water. The shifts can be connected to structural changes caused by the heating, but due to saturation effects they are not sensitive enough to serve as a thermometer for T-jumped water.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2019

Tritium Retention in Hexavalent Chromate-Conversion–Coated Aluminum Alloy

In this work, 6061-T6 aluminum samples were subjected to MIL-DTL-5541F type I, class-3 anodic coatings, where a yellow irradiate finish was achieved. Both chromate-conversion coatings (CCC) and unmodified samples were exposed to DT (PT = 0.51 atm) gas for 24 h at room temperature. Following loading, the samples were subjected to one of two desorption techniques: temperature-programmed desorption, or a surface stripping technique. The results show that chromic-acid anodizing of aluminum dramatically increases the total quantity of tritium retained by the treated surface as compared to unmodified aluminum. X-ray photoelectron spectroscopy and scanning electron microscopy studies of both treated aluminum and unmodified samples indicate that the CCC coating contain significant quantities of hydrated chromium. Using transmission electron microscopy, the surface is shown to have significant cracking and fracturing of the film and leads to a highly grained and porous surface. Such surface defects coupled with the vast quantity of hydration sites are likely reasons for the increased retained tritium inventory observed for CCC samples. Finally, due to the physical and chemical properties of unmodified CCC samples, they are not suitable for use in tritium environments.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Cavity Quantum Eliashberg Enhancement of Superconductivity

Driving a conventional superconductor with an appropriately tuned classical electromagnetic field can lead to an enhancement of superconductivity via a redistribution of the quasiparticles into a more favorable nonequilibrium distribution—a phenomenon known as the Eliashberg effect. Here, we theoretically consider coupling a two-dimensional superconducting film to the quantized electromagnetic modes of a microwave resonator cavity. As in the classical Eliashberg case, we use a kinetic equation to study the effect of the fluctuating, dynamical electromagnetic field on the Bogoliubov quasiparticles. We find that when the photon and quasiparticle systems are out of thermal equilibrium, a redistribution of quasiparticles into a more favorable nonequilibrium steady state occurs, thereby enhancing superconductivity in the sample. Here, we predict that by tailoring the cavity environment (e.g., the photon occupation and spectral functions), enhancement can be observed in a variety of parameter regimes, offering a large degree of tunability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

FIRE: A Failure-Adaptive RL Framework for Edge Computing Migrations

In edge computing, users' service profiles are migrated between edge servers due to user mobility. Reinforcement Learning (RL) frameworks have been proposed to do so, often trained on simulated data. However, existing RL frameworks overlook occasional server failures, which although rare, impact latency-sensitive applications like AR/VR and real- time obstacle detection. These rare failures, being not adequately represented in historical training data, pose a challenge for data-driven RL algorithms. We introduce FIRE, a framework that adapts to rare events by training a RL policy in an edge computing digital twin environment. We propose FIRE-ImRE, an importance sampling-based Q-learning algorithm, which samples rare events proportionally to their impact on the value function. FIRE considers delay, migration, failure, and backup placement costs across individual and shared service profiles. We prove FIRE-ImRE's boundedness and convergence to optimality. Next, we introduce novel deep Q-learning (FIRE-ImDQL) and actor critic (FIRE-ImACRE) versions of our algorithm to enhance scalability. Here, we extend our framework to accommodate users with varying risk tolerances of rare failure events. Through trace-driven experiments, we show that FIRE reduces edge computing costs compared to vanilla RL and the greedy baseline in the event of failures.

Edge computing↗

DOE OSTI2022

Installation and imaging of thousands of minirhizotrons to phenotype root systems of field-grown plants

Roots are vital to plant performance because they acquire resources from the soil and provide anchorage. However, it remains difficult to assess root system size and distribution because roots are inaccessible in the soil. Existing methods to phenotype entire root systems range from slow, often destructive, methods applied to relatively small numbers of plants in the field to rapid methods that can be applied to large numbers of plants in controlled environment conditions. Much has been learned recently by extensive sampling of the root crown portion of field-grown plants. But, information on large-scale genetic and environmental variation in the size and distribution of root systems in the field remains a key knowledge gap. Minirhizotrons are the only established, non-destructive technology that can address this need in a standard field trial. Prior experiments have used only modest numbers of minirhizotrons, which has limited testing to small numbers of genotypes or environmental conditions. This study addressed the need for methods to install and collect images from thousands of minirhizotrons and thereby help break the phenotyping bottleneck in the field. Over three growing seasons, methods were developed and refined to install and collect images from up to 3038 minirhizotrons per experiment. Modifications were made to four tractors and hydraulic soil corers mounted to them. High quality installation was achieved at an average rate of up to 84.4 minirhizotron tubes per tractor per day. A set of four commercially available minirhizotron camera systems were each transported by wheelbarrow to allow collection of images of mature maize root systems at an average rate of up to 65.3 tubes per day per camera. This resulted in over 300,000 images being collected in as little as 11 days for a single experiment. The scale of minirhizotron installation was increased by two orders of magnitude by simultaneously using four tractor-mounted, hydraulic soil corers with modifications to ensure high quality, rapid operation. Image collection can be achieved at the corresponding scale using commercially available minirhizotron camera systems. Along with recent advances in image analysis, these advances will allow use of minirhizotrons at unprecedented scale to address key knowledge gaps regarding genetic and environmental effects on root system size and distribution in the field.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Analysis of a Modern Hybrid and an Ancient Sugarcane Implicates a Complex Interplay of Factors in Affecting Recalcitrance to Cellulosic Ethanol Production

Abundant evidence exists to support a role for lignin as an important element in biomass recalcitrance. However, several independent studies have also shown that factors apart from lignin are also relevant and overall, the relative importance of different recalcitrance traits remains in dispute. In this study we used two genetically distant sugarcane genotypes, and performed a correlational study with the variation in anatomical parameters, cell wall composition, and recalcitrance factors between these genotypes. In addition we also tracked alterations in these characteristics in internodes at different stages of development. Significant differences in the development of the culm between the genotypes were associated with clear differential distributions of lignin content and composition that were not correlated with saccharification and fermentation yield. Given the strong influence of the environment on lignin content and composition, we hypothesized that sampling within a single plant could allow us to more easily interpret recalcitrance and changes in lignin biosynthesis than analysing variations between different genotypes with extensive changes in plant morphology and culm anatomy. The syringyl/guaiacyl (S/G) ratio was higher in the oldest internode of the modern genotype, but S/G ratio was not correlated with enzymatic hydrolysis yield nor fermentation efficiency. Curiously we observed a strong positive correlation between ferulate ester level and cellulose conversion efficiency. Together, these data support the hypothesis that biomass enzymatic hydrolysis recalcitrance is governed by a quantitative heritage rather than a single trait.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Enhancing Lifetime and Reducing Costs for Fish Diversion Netting Structures (Abstract)

This effort will focus on technology transfer and commercialization of antifouling coatings with an enthusiastic and engaged industrial team. Environmental requirements and operational demands call for a nontoxic coating/paint to prevent fouling on fish passage guidance netting at hydropower facilities. For example, one netting customer estimated the capital cost for compliance at $\$12$ million to $\$15$ million. This project will build partnerships between PNNL and private companies to optimize, demonstrate, mature, and commercialize a novel PNNL-developed technology that addresses this critical coating need of the hydropower industry. This effort will support modification of existing coatings for application to flexible netting structures. Industrial partners include commercial coating development specialist (Lorama), hydrophobic material manufacturer and paint developer (Dry Surface Technologies), aquatic applications specialists (Prometheus Innovations and River Connectivity Systems), and hydropower netting producer (Pacific Netting Products). Engagement with the U.S. Army Corps of Engineers (USACE) and Bureau of Reclamation (BOR), two hydropower operators, throughout the project will provide expertise and field test sites that will provide crucial proof of real-world performance data (additional details provided in Teaming section). Taylor Shellfish Farms will provide organisms and fouling expertise as well as a perspective of potential broader impacts for the blue economy. Sample netting will demonstrate performance in a range of environments for key hydropower applications. PNNL will work with industrial partners to overcome commercialization barriers as well as resolving any manufacturing or regulatory issues. This Phase 1 effort is focused on technology optimization for application to fish passage guidance netting and technology validation as verified by independent testing (through USACE, BOR, Taylor Shellfish and Prometheus Innovations). Through this effort, SLIC will be demonstrated for netting applications at technology readiness level (TRL) 5. The field test data will allow optimization of SLIC formulation and performance which is key to enabling technology transfer of a mature proven technology to industry and production of a viable commercial product specifically focused for hydropower needs.

13 HYDRO ENERGY↗

NASA NTRS1971

Material handling device Patent

Device which separates and screens particles of soil samples for vidicon viewing in vacuum and reduced gravity environments

Ritchie, D. G.↗

NASA NTRS1975

Effects of gravity reduction on phase equilibria. Part 1: Unary and binary isostructural solids

Analysis of the Skylab II M553 Experiment samples resulted in the hypothesis that the reduced gravity environment was altering the melting and solidification reactions. A theoretical study was conducted to define the conditions under which such alteration of phase relations is feasible, determine whether it is restricted to space processing, and, if so, ascertain which alloy systems or phase reactions are most likely to demonstrate such effects. Phase equilibria of unary and binary systems with a single solid phase (unary and isomorphous) were considered.

Larson, D. J., Jr.↗

NASA NTRS1979

Measurement of chlorophyll a fluorescence with an airborne fluorosensor

Phytoplankton biomass and diversity among various algal species are important for marine productivity assessments. The spatial heterogeneity of phytoplankton in coastal and estuarine environments complicates estimates of total biomass using conventional surface sampling techniques. Since synoptic or near-synoptic data can be quite useful in these studies, this area is a natural focal point for development of remote sensors. However, it is very difficult to sense phytoplankton density and diversity with spacecraft-borne passive sensors primarily because modulation in the signal due to phytoplankton is of the same order as that of atmospheric effects. The same sensors mounted on aircraft may be able to detect and quantify high concentrations of phytoplankton (blooms), but the current lack of knowledge about the spectral reflectance signatures of the major phytoplankton color groups rules out any diversity measurements by this type of sensor. An active fluorosensor mounted on a low-flying aircraft or helicopter is not limited by any of these constraints. A brief survey of the four currently active systems is presented.

Jarrett, O., Jr.↗

NASA NTRS1979

Combustion of solid carbon rods in zero and normal gravity

In order to investigate the mechanism of carbon combustion, spectroscopic carbon rods were resistance ignited and burned in an oxygen environment in normal and zero gravity. Direct mass spectrometric sampling was used in the normal gravity tests to obtain concentration profiles of CO2, CO, and O2 as a function of distance from the carbon surface. The experimental concentrations were compared to those predicted by a stagnant film model. Zero gravity droptower tests were conducted in order to assess the effect of convection on the normal gravity combustion process. The ratio of flame diameter to rod diameter as a function of time for oxygen pressures of 5, 10, 15, and 20 psia was obtained for three different diameter rods. It was found that this ratio was inversely proportional to both the oxygen pressure and the rod diameter.

Spuckler, C. M.↗

NASA NTRS1986

Performance and endurance tests of a multipropellant resistojet for space station auxiliary propulsion

This paper presents the results of an effort to demonstrate the technology readiness of a long-life multipropellant resistojet for space station auxiliary propulsion. Experiments were performed to evaluate the compatibility of grain-stabilized platinum tubes at temperatures up to 1400 deg C in environments of CO2, CH4, NH3, H2O, and H2. All samples tested showed extrapolated lifetimes in excess of 10,000 hr based on 10 percent mass loss as end-of-life. However, samples tested in an ammonia atmosphere at 1400 deg C showed severe pitting, which raised concerns about the compatibility of grain-stabilized platinum with ammonia-containing atmospheres. Additional tests showed that reducing the metal temperature to about 900 deg C (+ or - 100 deg C) significantly reduced this adverse effect.

Morren, W. E.↗

NASA NTRS1986

Experimental basis for a Titan probe organic analysis

The recent Voyager flyby of Titan produced evidence for at least nine organic compounds in that atmosphere that are heavier than methane. Several models of Titan's atmosphere, as well as laboratory simulations, suggest the presence of organics considerably more complex that those observed. To ensure that the in situ measurements are definitive with respect to Titan's atmosphere, experiment concepts, and the related instrumentation, must be carefully developed specifically for such a mission. To this end, the possible composition of the environment to be analyzed must be bracketed and model samples must be provided for instrumentation development studies. Laboratory studies to define the optimum flight experiment and sampling strategy for a Titan entry probe are currently being conducted. Titan mixtures are being subjected to a variety of energy sources including high voltage electron from a DC discharge, high current electric shock, and laser detonation. Gaseous and solid products are produced which are then analyzed. Samples from these experiements are also provided to candidate flight experiments as models for instrument development studies. Preliminary results show that existing theoretical models for chemistry in Titan's atmosphere cannot adequetely explain the presence and abundance of all trace gases observed in these experiments.

Mckay, C. P.↗

NASA NTRS1986

Performance and endurance tests of a multipropellant resistojet for space station auxiliary propulsion

Morren, W. E.↗

NASA NTRS1986

UCMS - A new signal parameter measurement system using digital signal processing techniques

The User Constraint Measurement System (UCMS) is a hardware/software package developed by NASA Goddard to measure the signal parameter constraints of the user transponder in the TDRSS environment by means of an all-digital signal sampling technique. An account is presently given of the features of UCMS design and of its performance capabilities and applications; attention is given to such important aspects of the system as RF interface parameter definitions, hardware minimization, the emphasis on offline software signal processing, and end-to-end link performance. Applications to the measurement of other signal parameters are also discussed.

Choi, H. J.↗

NASA NTRS1988

The geology and petrogenesis of the southern closepet granite

The Archaean Closepet Granite is a polyphase body intruding the Peninsular Gneiss Complex and the associated supracrustal rocks. The granite out-crop runs for nearly 500 km with an approximate width of 20 to 25 km and cut across the regional metamorphic structure passing from granulite facies in the South and green schist facies in the north. In the amphibolite-granulite facies transition zone the granite is intimately mixed with migmatites and charnockite. Field observations suggests that anatexis of Peninsular gneisses led to the formation of granite melt, and there is a space relationship between migmatite formation, charnockite development and production and emplacement of granite magma. Based on texture and cross cutting relationships four major granite phases are recognized: (1) Pyroxene bearing dark grey granite; (2) Porphyritec granite; (3) Equigranular grey granite; and (4) Equigranular pink granite. The granite is medium to coarse grained and exhibit hypidiomorphic granular to porphyritic texture. The modal composition varies from granite granodiorite to quartz monzonite. Geochemical variation of the granite suite is consistent with either fractional crystallization or partial melting, but in both the cases biotite plus feldspar must be involved as fractionating or residual phases during melting to account trace element chemistry. The trace element data has been plotted on discriminant diagrams, where majority of samples plot in volcanic arc and within plate, tectonic environments. The granite show distinct REE patterns with variable total REE content. The REE patterns and overall abundances suggests that the granite suite represents a product of partial melting of crustal source in which fractional crystallization operated in a limited number of cases.

Jayananda, M.↗

NASA NTRS1991

Developing and utilizing an Euler computational method for predicting the airframe/propulsion effects for an aft-mounted turboprop transport. Volume 2: User guide

This manual explains how to use an Euler based computational method for predicting the airframe/propulsion integration effects for an aft-mounted turboprop transport. The propeller power effects are simulated by the actuator disk concept. This method consists of global flow field analysis and the embedded flow solution for predicting the detailed flow characteristics in the local vicinity of an aft-mounted propfan engine. The computational procedure includes the use of several computer programs performing four main functions: grid generation, Euler solution, grid embedding, and streamline tracing. This user's guide provides information for these programs, including input data preparations with sample input decks, output descriptions, and sample Unix scripts for program execution in the UNICOS environment.

Chen, H. C.↗

NASA NTRS1991

Electrodeposited Zinc-Nickel as an Alternative to Cadmium Plating for Aerospace Application

Corrosion evaluation studies were conducted on 4130 alloy steel samples coated with electrodeposited zinc-nickel and samples coated with electrodeposited cadmium. The zinc nickel was deposited by the selection electrochemical metallizing process. These coated samples were exposed to a 5-percent salt fog environment at 35 plus or minus 2 C for a period ranging from 96 to 240 hours. An evaluation of the effect of dichromate coatings on the performance of each plating was conducted. The protection afforded by platings with a dichromate seal was compared to platings without the seal. During the later stages of testing, deposit adhesion and the potential for hydrogen entrapment were also evaluated.

Mcmillan, V. C.↗