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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Excited-state quantum phase transitions in systems with two degrees of freedom: II. Finite-size effects

This article extends our previous analysis Stránský et al. (2014) of Excited-State Quantum Phase Transitions (ESQPTs) in systems of dimension two. We focus on the oscillatory component of the quantum state density in connection with ESQPT structures accompanying a first-order ground-state transition. It is shown that a separable (integrable) system can develop rather strong finite-size precursors of ESQPT expressed as singularities in the oscillatory component of the state density. The singularities originate in effectively 1-dimensional dynamics and in some cases appear in multiple replicas with increasing excitation energy. Using a specific model example, we demonstrate that these precursors are rather resistant to proliferation of chaotic dynamics. - Highlights: • Oscillatory components of state density and spectral flow studied near ESQPTs. • Enhanced finite-size precursors of ESQPT caused by fully/partly separable dynamics. • These precursors appear due to criticality of a subsystem with lower dimension. • Separability-induced finite-size effects disappear in case of fully chaotic dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Role of Hydrogen Bonding in Photoinduced Electron-Proton Transfer from Phenols to a Polypyridine Ru Complex with a Proton-Accepting Ligand

Electron-proton transfer, EPT, from phenols to a triplet MLCT-excited Ru polypyridine complex containing an uncoordinated nitrogen site, 1(T), can be described by a kinetic model that accounts for the H-bonding of 1(T) to phenol, 1(T) to solvent, and phenol to solvent. The latter plays a major role in the kinetic solvent effect and commonly precludes simultaneous determination of the EPT rate constant and 1(T)-phenol H-bonding constant. A number of these quantities previously reported for similar systems are shown to be in error due to an inconsistent data analysis. In conclusion, control experiments replacing either 1(T) by its structural isomer with a sterically screened nitrogen site or phenol by its H-bonding surrogate, trifluoroethanol, and the observation of negative activation enthalpies for the overall reactions between 1(T) and phenols lend support to the proposed model and provide evidence for the formation of a precursor H-bonded complex between the reactants, which is a prerequisite for EPT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Efficient secretion of a plastic degrading enzyme from the green algae Chlamydomonas reinhardtii

Abstract Plastic pollution has become a global crisis, with microplastics contaminating every environment on the planet, including our food, water, and even our bodies. In response, there is a growing interest in developing plastics that biodegrade naturally, thus avoiding the creation of persistent microplastics. As a mechanism to increase the rate of polyester plastic degradation, we examined the potential of using the green microalgaChlamydomonas reinhardtiifor the expression and secretion of PHL7, an enzyme that breaks down post-consumer polyethylene terephthalate (PET) plastics. We engineeredC. reinhardtiito secrete active PHL7 enzyme and selected strains showing robust expression, by using agar plates containing a polyester polyurethane (PU) dispersion as an efficient screening tool. This method demonstrated the enzyme’s efficacy in degrading ester bond-containing plastics, such as PET and bio-based polyurethanes, and highlights the potential for microalgae to be implemented in environmental biotechnology. The effectiveness of algal-expressed PHL7 in degrading plastics was shown by incubating PET with the supernatant from engineered strains, resulting in substantial plastic degradation, confirmed by mass spectrometry analysis of terephthalic acid formation from PET. Our findings demonstrate the feasibility of polyester plastic recycling using microalgae to produce plastic-degrading enzymes. This eco-friendly approach can support global efforts toward eliminating plastic in our environment, and aligns with the pursuit of low-carbon materials, as these engineered algae can also produce plastic monomer precursors. Finally, this data demonstratesC. reinhardtiicapabilities for recombinant enzyme production and secretion, offering a “green” alternative to traditional industrial enzyme production methods.

Science & Technology - Other Topics↗
DOE OSTI2024

CYP76BK1 orthologs catalyze furan and lactone ring formation in clerodane diterpenoids across the mint family

The Lamiaceae (mint family) is the largest known source of furanoclerodanes, a subset of clerodane diterpenoids with broad bioactivities including insect antifeedant properties. The Ajugoideae subfamily, in particular, accumulates significant numbers of structurally related furanoclerodanes. The biosynthetic capacity for formation of these diterpenoids is retained across most Lamiaceae subfamilies, including the early-diverging Callicarpoideae which forms a sister clade to the rest of Lamiaceae. VacCYP76BK1, a cytochrome P450 monooxygenase from Vitex agnus-castus, was previously found to catalyze the formation of the proposed precursor to furan and lactone-containing labdane diterpenoids. Through transcriptome-guided pathway exploration, we identified orthologs of VacCYP76BK1 in Ajuga reptans and Callicarpa americana. Functional characterization demonstrated that both could catalyze the oxidative cyclization of clerodane backbones to yield a furan ring. Subsequent investigation revealed a total of 10 CYP76BK1 orthologs across six Lamiaceae subfamilies. Through analysis of available chromosome-scale genomes, we identified four CYP76BK1 members as syntelogs within a conserved syntenic block across divergent subfamilies. This suggests an evolutionary lineage that predates the speciation of the Lamiaceae. Functional characterization of the CYP76BK1 orthologs affirmed conservation of function, as all catalyzed furan ring formation. Additionally, some orthologs yielded two novel lactone ring moieties. The presence of the CYP76BK1 orthologs across Lamiaceae subfamilies closely overlaps with the distribution of reported furanoclerodanes. Together, the activities and distribution of the CYP76BK1 orthologs identified here support their central role in furanoclerodane biosynthesis within the Lamiaceae family. Our findings lay the groundwork for biotechnological applications to harness the economic potential of this promising class of compounds.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Properties of Noise Cross-Correlation Functions Obtained from a Distributed Acoustic Sensing Array at Garner Valley, California

A field test that was conducted at Garner Valley, California, on 11 and 12 September 2013 using distributed acoustic sensing (DAS) to sense ground vibrations provided a continuous overnight record of ambient noise. Furthermore, the energy of ambient noise was concentrated between 5 and 25 Hz, which falls into the typical traffic noise frequency band. A standard procedure (Bensen et al., 2007) was adopted to calculate noise cross-correlation functions (NCFs) for 1-min intervals. The 1-min-long NCFs were stacked using the time–frequency domain phase-weighted-stacking method, which significantly improves signal quality. The obtained NCFs were asymmetrical, which was a result of the nonuniform distributed noise sources. A precursor appeared on NCFs along one segment, which was traced to a strong localized noise source or a scatterer at a nearby road intersection. NCF for the radial component of two surface accelerometers along a DAS profile gave similar results to those from DAS channels. Here, we calculated the phase velocity dispersion from DAS NCFs using the multichannel analysis of surface waves technique, and the result agrees with active-source results. We then conclude that ambient noise sources and the high spatial sampling of DAS can provide the same subsurface information as traditional active-source methods.

58 GEOSCIENCES↗
DOE OSTI2026

Development and implementation of high-throughput proteomic and metabolomics assays by using advanced chromatographic and mass spectrometric systems (CRADA Final Report)

The mission of this CRADA with Agilent was to couple powerful MS platforms (QQQ, IM-QTOFMS) with Agilent’s novel Ultra-High-Performance Liquid Chromatography (UHPLC) fast metabolomic workflows and perform ABF Machine Learning (ML) to generated datasets. Agilent transferred UHPLC methods to PNNL and LBNL and methods were implemented and demonstrated in both labs, achieving total acquisition times of < 10 min. Metabolites analyzed using Agilent’s shared methods included metabolites from central carbon metabolism, common across hosts, and metabolites unique to engineered strains. Standards were acquired in an UHPLC-Drift Tube Ion Mobility Mass Spectrometer (DTIMS) system for the first time within the context of ABF and methods were optimized based on Agilent’s protocols. Samples from ABF hosts Pseudomonas putida, Aspergillus pseudoterreus, Aspergillus niger and Rhodosporidium toruloides were analyzed using the UHPLC-DTIMS platform for a total of 276 runs. A data analysis workflow compatible with the Experimental Data Depot (EDD) and completely shareable was developed for the acquired UHPLC-DTIMS data. Samples were analyzed using a Data Independent Acquisition Approach (DIA), which for most of the standards provided more transitions therefore increasing detection confidence. Using the data acquired by PNNL, LBNL, and Agilent’s specifications from previous ML projects, SNL applied an ensemble ML strategy to pick the best performing model for automated LC-method selection. Finally, with the contribution of the participant labs and Agilent, SNL developed an Automated Method Selection (AMS) software tool to predict the best liquid chromatography method for analysis of any new molecules of interest. Samples with novel pathways and new metabolite targets of interest are generated at a high pace in the ABF. Overall, the project advanced rapid metabolomics by combining liquid chromatography, ion mobility spectrometry, and data-independent mass spectrometry with machine learning. This multidimensional approach uses retention time, collision cross-section, precursor mass, and fragment-ion information to distinguish chemically similar metabolites that can be difficult to resolve using conventional liquid- or gas-chromatography methods. The resulting workflow also provided automated metabolite-identification error estimates, addressing a recognized need for statistical confidence measures in metabolomics.

Petzold, Christopher [Lawrence Berkeley National L↗
DOE OSTI2017

Prospecting Biotechnologically-Relevant Monooxygenases from Cold Sediment Metagenomes: An In Silico Approach

The goal of this work was to identify sequences encoding monooxygenase biocatalysts with novel features by in silico mining an assembled metagenomic dataset of polar and subpolar marine sediments. The targeted enzyme sequences were Baeyer–Villiger and bacterial cytochrome P450 monooxygenases (CYP153). These enzymes have wide-ranging applications, from the synthesis of steroids, antibiotics, mycotoxins and pheromones to the synthesis of monomers for polymerization and anticancer precursors, due to their extraordinary enantio-, regio-, and chemo- selectivity that are valuable features for organic synthesis. Phylogenetic analyses were used to select the most divergent sequences affiliated to these enzyme families among the 264 putative monooxygenases recovered from the ~14 million protein-coding sequences in the assembled metagenome dataset. Three-dimensional structure modeling and docking analysis suggested features useful in biotechnological applications in five metagenomic sequences, such as wide substrate range, novel substrate specificity or regioselectivity. Further analysis revealed structural features associated with psychrophilic enzymes, such as broader substrate accessibility, larger catalytic pockets or low domain interactions, suggesting that they could be applied in biooxidations at room or low temperatures, saving costs inherent to energy consumption. This work allowed the identification of putative enzyme candidates with promising features from metagenomes, providing a suitable starting point for further developments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

A Comprehensive K2 and Ground-based Study of CRTS J035905.9+175034, an Eclipsing SU UMa System with a Large Mass Ratio

CRTS J035905.9+175034 is the first eclipsing SU UMa system for which a superoutburst has been observed by Kepler in the short-cadence mode. The light curve contains one superoutburst, eight normal outbursts (including a precursor to the superoutburst), and several minioutbursts that are present before—but not after—the superoutburst. The superoutburst began with a precursor normal outburst, and shortly after the peak of the precursor, the system developed large-amplitude superhumps that achieved their maximum amplitude after just three superhump cycles. The period excess of the initial superhump period relative to the orbital period implies a mass ratio of 0.281 ± 0.015, placing it marginally above most theoretical predictions of the highest-possible mass ratio for superhump formation. In addition, our analysis of the variations in eclipse width and depth, as well as the hot spot amplitudes, generally provides substantiation of the thermal-tidal instability model. The K2 data, in conjunction with our ground-based time-resolved spectroscopy and photometry from 2014 to 2016, allows us to determine many of the fundamental parameters of this system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Symmetry and Topology Code of the Cluster Self-Assembly of Intermetallic Compounds A{sub 2}{sup [16]}B{sub 4}{sup [12]} of the Friauf Families Mg{sub 2}Cu{sub 4} and Mg{sub 2}Zn{sub 4}

A geometrical and topological analysis of intermetallic compounds A{sub 2}{sup [16]}B{sub 4}{sup [12]} of the Friauf families Mg{sub 2}Cu{sub 4} (formed in 273 binary and 775 ternary systems) and Mg{sub 2}Zn{sub 4} (formed in 67 binary and 121 ternary systems) has been performed. Basic 3D nets are determined in the form of a graph, whose sites correspond to the centers of tetrahedral cluster precursors В{sub 4}: Cu-type net with a coordination number (CN) of 12 for Mg{sub 2}Cu{sub 4} and a BN-type net with a CN of 8 for Mg{sub 2}Zn{sub 4}. The symmetry and topology code is determined for the crystal structure self-assembly in the following form: primary chain S{sub 3}{sup 1} → microlayer S{sub 3}{sup 2} → microframework S{sub 3}{sup 3}. An identical mechanism of primary chain S{sub 3}{sup 1} self-assembly from B{sub 4} clusters with participation of large template atoms A{sup [16]} for both families and a mechanism of S{sub 3}{sup 2} microlayer self-assembly from parallel S{sub 3}{sup 1} chains in Mg{sub 2}Cu{sub 4} (basic 2D net 4{sup 4}) and shifted chains in Mg{sub 2}Zn{sub 4} (basic 2D net 3{sup 6}) have been determined for the first time. The constant chemical composition of intermetallic compounds A{sub 2}{sup [16]}B{sub 4}{sup [12]} is related to the functional difference between the B atoms forming 3D frameworks and template atoms А. The numbers of chemically different В{sub 4} clusters for the Mg{sub 2}Cu{sub 4} and Mg{sub 2}Zn{sub 4} families are found to be 25 and 19, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2015

PREDICTIONS FOR ULTRA-DEEP RADIO COUNTS OF STAR-FORMING GALAXIES

We have worked outty predictions for the radio counts of star-forming galaxies down to nJy levels, along with redshift distributions down to the detection limits of the phase 1 Square Kilometer Array MID telescope (SKA1-MID) and of its precursors. Such predictions were obtained by coupling epoch-dependent star formation rate (SFR) functions with relations between SFR and radio (synchrotron and free–free) emission. The SFR functions were derived taking into account both the dust-obscured and the unobscured star formation, by combining far-infrared, ultraviolet, and Hα luminosity functions up to high redshifts. We have also revisited the South Pole Telescope counts of dusty galaxies at 95 GHz, performing a detailed analysis of the Spectral Energy Distributions. Our results show that the deepest SKA1-MID surveys will detect high-z galaxies with SFRs two orders of magnitude lower compared to Herschel surveys. The highest redshift tails of the distributions at the detection limits of planned SKA1-MID surveys comprise a substantial fraction of strongly lensed galaxies. We predict that a survey down to 0.25 μJy at 1.4 GHz will detect about 1200 strongly lensed galaxies per square degree, at redshifts of up to 10. For about 30% of them the SKA1-MID will detect at least 2 images. The SKA1-MID will thus provide a comprehensive view of the star formation history throughout the re-ionization epoch, unaffected by dust extinction. We have also provided specific predictions for the EMU/ASKAP and MIGHTEE/MeerKAT surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

The Explosive Hazards of Icosahedral Carboranes and Dodecaborate with Common Oxidizers and Salts

Carboranes find use in a wide variety of applications ranging from specialty catalysts to medicinal uses. Certain functionalized carboranes are described as explosive materials, although their nonfunctionalized precursors are regarded as inherently stable and not explosive. Herein, we report new findings on the sensitization of nonfunctionalized 12-vertex ortho-, meta-, and para-carboranes as well as dodecaborate in physical mixtures with several common inorganic salts. These mixtures were evaluated for explosive properties with drop hammer impact tests, friction tests, and differential scanning calorimetry thermal gravimetric analysis (DSC-TGA). Results indicate explosive sensitization to mechanical stimuli for the nonfunctionalized carboranes tested with a wide variety of inorganic salts, especially oxidizers. Sensitization of these compounds has not previously been reported, and raising awareness to the broader scientific community on this matter is warranted, especially as several of the mixtures evaluated are more sensitive to mechanical stimuli than primary explosives such as lead azide or pentaerythritol tetranitrate.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Efficient secretion of a plastic degrading enzyme from the green algae Chlamydomonas reinhardtii

AbstractPlastic pollution has become a global crisis, with microplastics contaminating every environment on the planet, including our food, water, and even our bodies. In response, there is a growing interest in developing plastics that biodegrade naturally, thus avoiding the creation of persistent microplastics. As a mechanism to increase the rate of polyester plastic degradation, we examined the potential of using the green microalgaChlamydomonas reinhardtiifor the expression and secretion of PHL7, an enzyme that breaks down post-consumer polyethylene terephthalate (PET) plastics. We engineeredC. reinhardtiito secrete active PHL7 enzyme and selected strains showing robust expression, by using agar plates containing a polyester polyurethane (PU) dispersion as an efficient screening tool. This method demonstrated the enzyme’s efficacy in degrading ester bond-containing plastics, such as PET and bio-based polyurethanes, and highlights the potential for microalgae to be implemented in environmental biotechnology. The effectiveness of algal-expressed PHL7 in degrading plastics was shown by incubating PET with the supernatant from engineered strains, resulting in substantial plastic degradation, confirmed by mass spectrometry analysis of terephthalic acid (TPA) formation from PET. Our findings demonstrate the feasibility of polyester plastic recycling using microalgae to produce plastic-degrading enzymes. This eco-friendly approach can support global efforts toward eliminating plastic in our environment, and aligns with the pursuit of low-carbon materials, as these engineered algae can also produce plastic monomer precursors. Finally, this data demonstratesC. reinhardtiicapabilities for recombinant enzyme production and secretion, offering a “green” alternative to traditional industrial enzyme production methods.Graphical Abstract

Molino, João Vitor Dutra (ORCID:0000000324759807)↗
DOE OSTI2016

Dominant Time Scales of Potentially Predictable Precipitation Variations across the Continental United States

While low-frequency variations in precipitation amount, occurrence counts (hereafter “occurrence”), and intensity can take place on seasonal to multidecadal time scales, it is often unclear at which time scales these precipitation variations can be ascribed to potentially predictable, climate-induced changes versus simple, stochastic (i.e., random) precipitation event evolutions. This paper seeks to isolate the dominant time scales at which potentially predictable changes in observed precipitation characteristics occur over the continental United States and analyze sources of revealed potentially predictable precipitation variations for particular regions. The results highlight that at interannual time scales (here defined as those shorter than 7 years), the potential for predicting annual precipitation amounts tends to be higher than for annual event occurrence or intensity, with interannual potential predictability highest in both relatively dry and wet locations and lowest in transition regions. By contrast, at time scales greater than 7 years the potential for predicting annual event occurrence tends to be higher than amount or intensity, with >20-yr time scale potential predictability highest in relatively wet locations and lowest in relatively dry locations. To highlight the utility of this type of analysis, two robust signals are selected for further investigation, including 1) approximately 10-yr time scale variations in potentially predictable annual amounts over the northwestern United States and 2) 20–60-yr time scale variations in potentially predictable annual event occurrence over the southwestern United States. While mechanistic drivers for these observed variations are still being investigated, concurrent and precursor climate-state estimates in the atmosphere and ocean—principally over the Pacific sector—are provided, the monitoring of which may help realize the potential for predicting precipitation variations in these regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Noble Gas Transport in the MSRE

This study explores the relationship between the physicochemical parameter known as Henry’s gas constant and gas transport across a two-layer film interface. The investigation utilized the Gibbs free energy, incorporating surface and volume terms to elucidate trends in enthalpy and entropy. Notably, our findings align with experimental data and offer predictive insights into the Henry’s gas constants for helium and krypton, which hold significance for future experiments and theoretical developments. Furthermore, this study enhances the Gibbs free energy theory pertaining to the liquid–gas interface. It underscores the substantial contribution of noble gases in this region to volumetric energy as temperature increases. Additionally, we employed Monte Carlo simulations to analyze the effective thermal neutron multiplication factor, denoted as k eff . Our analysis reveals a linear correlation between graphite density and uniform density as a function of temperature. For the 1D Molten Salt Reactor Experiment (MSRE) system, we employed the Mole code to conduct heat and mass transfer calculations. These computations enable us to ascertain the distribution of fuel temperature based on coefficients and thermal properties. We also studied delayed neutron precursors during fuel cycling, taking into account the drift of cycling fuel through Mole–Griffin coupling. Our model represents k eff and β eff across various volume flow rates and salinity compositions. Finally, this study leveraged xenon-135 for continuous on-line monitoring of fuel salts to investigate the impact of steady-state xenon-135 on the MSRE and to better understand its distribution. These efforts build upon previous research related to removal processes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2009

NASA Manned Launch Vehicle Lightning Protection Development

Historically, the National Aeronautics and Space Administration (NASA) relied heavily on lightning avoidance to protect launch vehicles and crew from lightning effects. As NASA transitions from the Space Shuttle to the new Constellation family of launch vehicles and spacecraft, NASA engineers are imposing design and construction standards on the spacecraft and launch vehicles to withstand both the direct and indirect effects of lightning. A review of current Space Shuttle lightning constraints and protection methodology will be presented, as well as a historical review of Space Shuttle lightning requirements and design. The Space Shuttle lightning requirements document, NSTS 07636, Lightning Protection, Test and Analysis Requirements, (originally published as document number JSC 07636, Lightning Protection Criteria Document) was developed in response to the Apollo 12 lightning event and other experiences with NASA and the Department of Defense launch vehicles. This document defined the lightning environment, vehicle protection requirements, and design guidelines for meeting the requirements. The criteria developed in JSC 07636 were a precursor to the Society of Automotive Engineers (SAE) lightning standards. These SAE standards, along with Radio Technical Commission for Aeronautics (RTCA) DO-160, Environmental Conditions and Test Procedures for Airborne Equipment, are the basis for the current Constellation lightning design requirements. The development and derivation of these requirements will be presented. As budget and schedule constraints hampered lightning protection design and verification efforts, the Space Shuttle elements waived the design requirements and relied on lightning avoidance in the form of launch commit criteria (LCC) constraints and a catenary wire system for lightning protection at the launch pads. A better understanding of the lightning environment has highlighted the vulnerability of the protection schemes and associated risk to the vehicle, which has resulted in lost launch opportunities and increased expenditures in manpower to assess Space Shuttle vehicle health and safety after lightning events at the launch pad. Because of high-percentage launch availability and long-term on-pad requirements, LCC constraints are no longer considered feasible. The Constellation vehicles must be designed to withstand direct and indirect effects of lightning. A review of the vehicle design and potential concerns will be presented as well as the new catenary lightning protection system for the launch pad. This system is required to protect the Constellation vehicles during launch processing when vehicle lightning effects protection might be compromised by such items as umbilical connections and open access hatches.

McCollum, Matthew B.↗
NASA NTRS2024

Electrostatic Waves and Electron Holes in Simulations of Low-Mach Quasi-Perpendicular Shocks

Collisionless low Mach number shocks are abundant in astrophysical and space plasma environments, exhibiting complex wave activity and wave-particle interactions. In this paper, we present 2D Particle in-Cell (PIC) simulations of quasi-perpendicular nonrelativistic (vsh ≈ (5500−22000) km/s) low Mach number shocks, with a specific focus on studying electrostatic waves in the shock ramp and the precursor regions. In these shocks, an ion-scale oblique whistler wave creates a configuration with two hot counter streaming electron beams, which drive unstable electron acoustic waves (EAWs) that can turn into electrostatic solitary waves (ESWs) at the late stage of their evolution. By conducting simulations with periodic boundaries, we show that EAW properties agree with linear dispersion analysis. The characteristics of ESWs in shock simulations, including their wavelength and amplitude, depend on the shock velocity. When extrapolated to shocks with realistic velocities (vsh ≈ 300 km/s), the ESW wavelength is reduced to one tenth of the electron skin depth and the ESW amplitude is anticipated to surpass that of the quasi-static electric field by more than a factor of 100. These theoretical predictions may explain a discrepancy, between PIC and satellite measurements, in the relative amplitude of high and low-frequency electric field fluctuations.

Plasma astrophysics↗
DOE OSTI2020

Fast and Accurate Core Analysis by the Full-Immersion Pressure-Pulse Decay: Part 2—Practice and Demonstration

Summary This study continues the work of presenting a novel approach for making petrophysical assessments of tight core samples. This method, the full-immersion pressure-pulse decay (Hannon 2019), involves applying a rapid increase in pressure in a chamber surrounding the entire outer surface area of a cylindrical sample, shutting the system in, and monitoring the pressure decay in the chamber as it reaches a new equilibrium. A precursor article covered the numerical simulator designed to model flow through the sample, demonstrating its performance and accuracy in addition to providing a first-order comparison between the speed and shape of the pressure-decay responses of the full-immersion method with those of other similar transient methods. This study covers the parameter-estimation procedure and experimental verification through a proof-of-concept laboratory investigation. The investigations provided here demonstrate that under appropriate, achievable experimental conditions, the pressure data can be analyzed in such a way that returns an estimate of the porosity and apparent permeabilities both parallel and perpendicular to bedding from a single test performed on a single cylindrical sample. After determining these experimental conditions (the uniqueness window), this report outlines a data-inversion strategy to estimate the petrophysical properties (porosity, horizontal permeability, and vertical permeability) from each test. This strategy is put to the test through comparisons with measurements performed by a commercial core laboratory. A common set of samples recovered from an outcrop of a tight-gas sandstone formation were investigated using the full-immersion method, and their results are compared with those from conventional steady-state measurement procedures performed by the commercial laboratory. Comparisons between petrophysical characterizations of these samples, which had permeabilities between 25 nd and 2.3 μd, demonstrated close agreement in most cases. However, whereas steady-state measurements performed at the professional laboratory required 4 to 5 hours of testing time per measurement of a single permeability, similar assessments using the full-immersion technique, requiring approximately 5 to 10 minutes to complete, returned estimates of the horizontal and vertical permeability simultaneously. Additional analyses are provided to determine principal reasons of discrepancies in instances where agreement was not as strong. Based on lessons learned from these experiences, the report closes with suggestions on areas of improvement in the experimental approach. Once complete, these developments should propel this technology to fill a critical need to determine petrophysical properties (porosity and permeability) of tight rocks in a time-efficient manner and in a way that does not compromise their accuracy.

Energy & Fuels↗
DOE OSTI2021

Map Applications to Target Exascale Architecture with Machine-Specific Performance Analysis, Including Challenges and Projections

This Exascale Computing Project (ECP) milestone report summarizes the status of all 30 ECP Applications Development (AD) subprojects at the end of FY20. In October and November of 2020, a comprehensive assessment of AD projects was conducted by the ECP leadership. Reviews occurred virtually between October 27, 2020 and November 12, 2020. The review committee—consisting of the AD lead, deputy, and L3—was tasked with evaluating each subproject’s progress in porting their codes to early exascale architectures considered precursors to the planned exascale machines. This includes characterizing which modules have been ported to multi-accelerator nodes, initial performance analyses, the status of software integration, and a current vision of successes, obstacles, and next steps. As such, this report contains not only an accurate snapshot of each subproject’s current status but also represents an unprecedentedly broad account of experiences in porting large scientific applications to next-generation high-performance computing architectures.

97 MATHEMATICS AND COMPUTING↗