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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
NASA NTRS1958

Experimental Behavior of Pentaborane-Air Combustion Products During Expansion in a Convergent Divergent Nozzle

In order to evaluate the post combustion behavior of boric oxide, pentaborane-air mixtures, burned to completion at a combustor pressure of 3 atmospheres, were expanded through a 7.1-inch-long convergent-divergent nozzle having a 4-inch-diameter throat and an exit-to-throat area ratio of 1.68. The experimentally determined thrust performance was in good agreement with the ideal equilibrium performance at stagnation temperatures of 3300 deg R and lower. The boric oxide vapor at the combustor exit required about 400 F deg supercooling before any condensed phase was observed. For a given thrust, fuel consumption was as much as 20 percent greater than predicted from vapor-pressure data for combustor outlet temperatures i n the vicinity of 3600 deg R. A similar result could be expected in full-scale engines, since the test combustor provided an unusually long dwell time and a highly turbulent environment. During the expansion process, the vapor (when present) did not condense to the extent predicted for an equilibrium expansion process. Moreover, condensation was observed only i n the form of small, abrupt phase changes i n the subsonic flow near the throat. Friction, due to liquid boric oxide films on the nozzle surfaces, was negligible when the surface temperature was above 800 F.

PENTABORANE↗
NASA NTRS1986

Turbulent magnetic reconnection

The results of two-dimensional spectral-method MHD simulations of the effect of turbulence on magnetic-reconnection processes are presented in extensive graphs and tables and characterized in detail. In a periodic sheet-pinch configuration, early-onset, persistent turbulence is found to occur when a low level of broadband fluctuations is introduced into the initial data. Features observed include small-scale unsteady coherent electric-current and vorticity structures, enhanced viscous and resistive dissipation, unsteady and spatially asymmetric fluid flow, large-scale and small-scale magnetic islands, multiple X points, large-amplitude electric-field fluctuations, and spectral characteristics indicating that the turbulence is broadband in both spatial directions and similar to homogeneous MHD turbulence. The importance of reconnection for studies of solar, magnetospheric, and laboratory plasmas in inhomogeneous magnetic fields is indicated.

Matthaeus, W. H.↗
NASA NTRS1988

On the outburst recurrence time for the accretion disk limit cycle mechanism in dwarf novae

An attempt is made here to elucidate the dwarf nova outburst time scale in terms of basic physics, and to place limits on the model by using the observed recurrence times. A simple analytical model is developed to describe the limit cycle process, and an expression is obtained for the interval between eruptions. It is shown that the smallness of the amount of mass accreted onto the central white dwarf during eruption can be explained in terms of the propagation of heating and cooling fronts. The dependency of the fraction of the disk mass accreted on the model parameters is derived, and the result is used to construct a semianalytic expression for the recurrence time.

Cannizzo, John K.↗
NASA NTRS2004

Modular Engine Noise Component Prediction System (MCP) Program Users' Guide

This is a user's manual for Modular Engine Noise Component Prediction System (MCP). This computer code allows the user to predict turbofan engine noise estimates. The program is based on an empirical procedure that has evolved over many years at The Boeing Company. The data used to develop the procedure include both full-scale engine data and small-scale model data, and include testing done by Boeing, by the engine manufacturers, and by NASA. In order to generate a noise estimate, the user specifies the appropriate engine properties (including both geometry and performance parameters), the microphone locations, the atmospheric conditions, and certain data processing options. The version of the program described here allows the user to predict three components: inlet-radiated fan noise, aft-radiated fan noise, and jet noise. MCP predicts one-third octave band noise levels over the frequency range of 50 to 10,000 Hertz. It also calculates overall sound pressure levels and certain subjective noise metrics (e.g., perceived noise levels).

Golub, Robert A.↗
NASA NTRS2002

Major Effects of Nonmetallic Inclusions on the Fatigue Life of Disk Superalloy Demonstrated

The fatigue properties of modern powder metallurgy disk alloys can vary because of the different steps of materials and component processing and machining. Among these variables, the effects of nonmetallic inclusions introduced during the powder atomization and handling processes have been shown to significantly degrade low-cycle fatigue life. The levels of inclusion contamination have, therefore, been reduced to less than 1 part per million in state-of-the-art nickel disk powder-processing facilities. Yet the large quantities of compressor and turbine disks weighing from 100 to over 1000 lb have enough total volume and surface area for these rare inclusions to still be present and limit fatigue life. The objective of this study was to investigate the effects on fatigue life of these inclusions, as part of the Crack Resistant Disk Materials task within the Ultra Safe Propulsion Project. Inclusions were carefully introduced at elevated levels in a nickel-base disk superalloy, U720, produced using powder metallurgy processing. Multiple strain-controlled fatigue tests were then performed on extracted test specimens at 650 C. Analyses were performed to compare the low-cycle fatigue lives and failure initiation sites as functions of inclusion content and fatigue conditions. Powder of the nickel-base superalloy U720 was atomized in argon at Special Metals Corporation, Inc., using production-scale high-cleanliness powder-processing facilities and handling practices. The powder was then passed through a 270-mesh screen. One portion of this powder was set aside for subsequent consolidation without introduced inclusions. Two other portions of this powder were seeded with alumina inclusions. Small, polycrystalline soft (Type 2) inclusions of about 50 mm diameter were carefully prepared and blended into one powder lot, and larger hard (Type 1) inclusions of about 150 mm mean diameter were introduced into the other seeded portion of powder. All three portions of powder were then sealed in separate containers, hot isostatically pressurized, extruded, forged into subscale disks, and heat treated. Low-cycle-fatigue specimens were then extracted, machined, and tested. Fatigue tests were performed at 650 C in closed-loop servohydraulic testing machines using induction heating and axial extensometers. All tests were continued to failure, and fractographic evaluations were performed on all specimens to determine the crack initiation sites. A large majority of the failures in specimens with introduced inclusions occurred at cracks initiating from inclusions at the specimen surface, as shown for each type of inclusion in the following bar chart. The inclusions significantly reduced fatigue life from unseeded material levels, as shown in the bar chart. These effects were found to depend on the strain range, strain ratio, and inclusion size. Tests at lower strain ranges and higher strain ratios resulted in larger effects of inclusions on life. Inclusion effects on life were thereby maximized in tests at the lowest strain range of 0.6 percent and the most positive strain ratio of 0.5. Under these conditions, small Type 2 inclusions reduced life substantially-- about 20 times, whereas large Type 1 inclusions dramatically reduced life 100 times. These results clearly demonstrate that it is essential to include the effects of inclusions for realistic predictions of disk fatigue life. Important issues, including temperature dependence, crack initiation versus propagation, surface treatments, realistic disk features and machining, and realistic disk spin testing will be addressed to accurately model inclusion effects on disk fatigue life. Fatigue life varied from well over 105 cycles for no inclusions to a little over 103 cycles for 100-micrometer inclusions. A single crack initiating at a surface-connected seeded inclusion caused failure in each case.

Gabb, Timothy P.↗
NASA NTRS2012

Space Weathering on 4 Vesta: Processes and Products

The bulk properties of Vesta have previously been linked directly to the howardite, eucrite, and diogenite (HED) meteorites through remote mineral characterization of its surface from Earth-based spectroscopy [e.g., 1]. A long-standing enigma has been why does Vesta s surface appear to have suffered so little alteration from the space environment, whereas materials exposed on the Moon and some S-type asteroids are significantly changed (grains develop rims containing nano-phase opaques [e.g. 2]). The Dawn spacecraft is well suited to address this issue and is half through its extended mapping phase of this remarkable proto-planet [3]. On a local scale Dawn sees evidence of recent exposures at craters, but distinctive surface materials blend into background at older craters. The presence of space weathering processes are thus evident at Vesta, but the character and form are controlled by the unique environment and geologic history of this small body.

Pieters, C. M.↗
NASA NTRS2017

Vacuum Infusion Process Development for Conformal Ablative Thermal Protection System Materials

Conformal ablators are low density composite materials comprised of a flexible carbon felt based fibrous substrate and a high surface area phenolic matrix. These materials are fabricated to near net shape by molding the substrate, placing in a rigid matched mold and infusing with liquid resin through a vacuum assisted process. The open mold process, originally developed for older rigid substrate ablators, such as PICA, wastes a substantial amount of resin. In this work, a vacuum infusion process a type of liquid composite molding where resin is directly injected into a closed mold under vacuum is advanced for conformal ablators. The process reduces waste over the state-of-the-art technique. Small, flat samples of Conformal Phenolic Impregnated Carbon Ablator are infused using the new approach and subjected to a range of curing configurations and conditions. Resulting materials are inspected for quality and compared to material produced using the standard process. Lessons learned inform subsequent plans for process scale up.

TPS↗
NASA NTRS2018

Smallholder Crop Area Mapped with Wall-To-Wall WorldView Sub-Meter Panchromatic Image Texture: A Test Case for Tigray, Ethiopia

Global food production in the developing world occurs within sub-hectare fields that are difficult to identify with moderate resolution satellite imagery. Knowledge about the distribution of these fields is critical in food security programs. We developed a semi-automated image segmentation approach using wall-to-wall sub-meter imagery with high-performance computing to map crop area (CA) throughout Tigray, Ethiopia that encompasses over 41,000 km (exp 2). Multiple processing streams were tested to minimize mapping error while applying five unique smoothing kernels to capture differences in land surface texture associated to CA. Typically, very-small fields (mean < 2 ha) have a smooth image roughness compared to natural scrub/shrub woody vegetation at the ~1m scale and these features can be segmented in panchromatic imagery with multi-level histogram thresholding. Multi-temporal very-high resolution (VHR) panchromatic imagery with multi-spectral VHR are sufficient in extracting critical CA information needed in food security programs. A 2011 to 2015 CA map was produced, using over 3000 WorldView-1 panchromatic images wall-to-wall in 1/2 deg mosaics for Tigray, Ethiopia. CA was evaluated with nearly 3000 WorldView-2 2m multispectral 250 X 250 m image subsets by seven expert interpretations, and with in-situ global positioning system photography. CA estimates ranged from 32 to 41% in sub regions of Tigray with median maximum per bin commission and omission errors of 11% and 1% respectively, with most of the error occurring in bins <15%. This empirical, simple, and low direct cost approach via U.S. government license agreement to access commercial VHR data, could be a viable big-data high-performance computing methodology to extract wall-to-wall CA for other regions of the world that have very-small agriculture fields with similar image texture."

Ethiopia↗
NASA NTRS2003

Precipitation Processes developed during ARM (1997), TOGA COARE(1992), GATE(1 974), SCSMEX(1998) and KWAJEX(1999): Consistent 2D and 3D Cloud Resolving Model Simulations

Real clouds and clouds systems are inherently three dimensional (3D). Because of the limitations in computer resources, however, most cloud-resolving models (CRMs) today are still two-dimensional (2D). A few 3D CRMs have been used to study the response of clouds to large-scale forcing. In these 3D simulations, the model domain was small, and the integration time was 6 hours. Only recently have 3D experiments been performed for multi-day periods for tropical cloud system with large horizontal domains at the National Center for Atmospheric Research. The results indicate that surface precipitation and latent heating profiles are very similar between the 2D and 3D simulations of these same cases. The reason for the strong similarity between the 2D and 3D CRM simulations is that the observed large-scale advective tendencies of potential temperature, water vapor mixing ratio, and horizontal momentum were used as the main forcing in both the 2D and 3D models. Interestingly, the 2D and 3D versions of the CRM used in CSU and U.K. Met Office showed significant differences in the rainfall and cloud statistics for three ARM cases. The major objectives of this project are to calculate and axamine: (1)the surface energy and water budgets, (2) the precipitation processes in the convective and stratiform regions, (3) the cloud upward and downward mass fluxes in the convective and stratiform regions; (4) cloud characteristics such as size, updraft intensity and lifetime, and (5) the entrainment and detrainment rates associated with clouds and cloud systems that developed in TOGA COARE, GATE, SCSMEX, ARM and KWAJEX. Of special note is that the analyzed (model generated) data sets are all produced by the same current version of the GCE model, i.e. consistent model physics and configurations. Trajectory analyse and inert tracer calculation will be conducted to identify the differences and similarities in the organization of convection between simulated 2D and 3D cloud systems.

Tao, W.-K.↗
DOE OSTI2018

Shock Initiation Response of PBX 9502 Considering Rarefaction Wave Effects

The effect of rarefaction waves on the shock initiation processes of impacted explosives is investigated. The Scaled Uniform Reactive Front (SURF) explosives model is convenient for this investigation because mechanisms responsible for ignition, i.e., the physics of hot spots, is based on the shock pressure, while rarefactions are controlled by local pressure and treated separately in SURF. One -dimensional gas gun experiments are used to calibrate the ignition portion of SURF. Impact experiments conducted using thin disk and small diameter rods, where controlled one- and two-dimensional rarefactions are introduced, allow the local pressure-dependence of SURF to be parameterized.The Theory of Singular Surfaces was invoked to elucidate the thermo-mechanical and thermo-chemical behavior. Room and elevated (250°C) temperature conditions were explored. In all cases SURF could be parameterized to match the experimental results. In doing so, the role of rarefactions on the shock initiation process was gleaned.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

Full-scale Demonstration of Multi-process Sensor at a Cycling PC-fired Boiler

The main objective of this research program is to design, manufacture, and demonstrate a miniaturized, multi-process, monitoring system (mMPMS) for boiler condition management and easy system deployment to obtain a higher spatial resolution. This system will facilitate a Condition-Based Maintenance (CBM) philosophy that actively monitors the health of assets to predict and prevent failures and maximize availability and generating capacity at a reduced cost. CBM systems can provide boiler data that the advanced process control (APC) system can utilize for plant performance optimization, which is increasingly relevant as coal power plants shift from predominantly base-load operation to predominantly transient operation involving large load swings. The mMPMS is based on an electrochemical sensor that provides a real-time indication of the risk of damage to key locations in the radiant or convective section of a coal-fired boiler such as metal loss rates, heat flux, metal surface temperature, and deposit thickness. These indications can be utilized to optimize boiler performance as well as improve boiler availability in conjunction with corresponding operating conditions. This monitoring system was developed and tested in the high-temperature regions of coal-fired utility boilers in this project but can be applied to many other industries and applications as well. This project leveraged the existing electrochemical noise-based monitoring system and the new sensor design is small enough to be installed through the webbing of the waterwalls without the need for long shut-downs to bend tubes and to make it feasible to obtain high spatial resolution in the boiler. Data is transferred to the plant distributed control system (DCS) and any other control system. The sensor body that houses the sensor assembly was designed to ensure good conductive contact with boiler tubes to ensure the sensor is held at an identical temperature to the tube surface temperature. The data acquisition and signal conditioning modules were redesigned into a small footprint with optimized cooling of the module. System software was developed specifically for the new signal conditioning module and is compatible with plant PLCs. After the preliminary testing at a pilot-scale facility, the three mMPMS were installed at a full-scale pulverized coal-fired plant, PacifiCorp’s Hunter 3. The systems were demonstrated over 20,000 hours at the plant during regular operation. Also, the sensor data was fed to the plant’s advanced process control system to evaluate the corrosion control by the operation changes and utilized to understand the impacts of load cycling with different ramping up and down speeds. At the end of the project, the systems were converted to the permanent installation at the power plant to be used with the advanced process control system installed at the plant.

Advanced Sensors, Corrosion, Ash Deposition, Optim↗
DOE OSTI2020

A Scalable Parallel Hypergraph Generator (HyGen)

Graphs are extensively used to model real-world complex systems. An edge in a graph can model pairwise relationships. However, multiway relationships (connections between three or more vertices) are common in many complex systems such as cellular process, image segmentation, and circuit design. A graph edge cannot model multiway relationships. A hypergraph, which can connect more than two vertices, is thus a better option to model multiway relationships. A large-scale hypergraph analysis has the potential to find useful insights from a complex system and assist in knowledge discovery. Currently a limited number of hypergraphs exists that are representative of real-world datasets. Moreover, real-world hypergraph datasets are small in size and inadequate to incorporate future needs. A graph generator that can produce large-scale synthetic hypergraphs can solve the above mentioned problems. In this paper, we present a scalable parallel hypergraph generator (HyGen) based on the Message Passing Interface (MPI) standard. To generate hypergraphs, HyGen takes the following parameter values as inputs: i) number of vertices, ii) number of hyperedges, iii) number of clusters, iv) vertex distribution, v) hyperedge distribution, vi) local cluster cardinality, and vii) global cluster cardinality. We have demonstrated that HyGen can generate hypergraphs of various sizes in a scalable fashion. HyGen takes approximately four minutes to generate a hypergraph with 4.8 million vertices, 1.6 million hyperedges, and 800 clusters using 1,024 processes on a leadership class computing platform. Our strong and weak scaling experiments on supercomputers demonstrate that HyGen can quickly create large-scale hypergraphs in a parallel manner, thus providing a useful capability for hypergraph analysis.

Hasan, S M Shamimul↗
DOE OSTI2018

Cementation of Nuclear Wastes: From Past to Future in a Sustainable Approach - 18266

Cementation of nuclear wastes is a widespread technology due to several factors such as excellent feedback from past experience, simplicity of implementation and versatility. Indeed, as nuclear wastes come in many physical states (bulk wastes, powders, sludges), cementation is the immobilisation process that can easily accommodate this large range of wastes provided the appropriate mixing technology is used: heterogenous cementation (grouting of bulky wastes) or homogenous cementation (intermixing process between the powder or the sludge and the cementitious material). However, nuclear wastes equally present an important chemical variability. This is especially true as New Areva's range of nuclear activities covers the entire fuel cycle: mining, conversion, enrichment and recycling and dismantling and decommissioning. The chemical interactions between the waste and the cement matrix are carefully studied by New Areva's R and D teams in order to provide comprehensive solutions by developing cement formulations which are adapted to wastes characteristics. The aim of the studies is to obtain cement waste-forms that meet the waste acceptance criteria, the final product being thus in perfect adequacy with the disposal requirements. For over 30 years New Areva has been developing cement formulations adapted to the physical and chemical specificities of the wastes accounting for constrains imposed by waste characteristics. The overall approach includes the definition of the appropriate cement composition at laboratory scale, engineering design, equipment manufacturing, testing and commissioning of the cementation facilities. With this strong technical background, a specific methodology has been developed by New Areva teams in order to allow a rapid screening of possible solutions for a given waste (in terms of cement chemistry adapted to the waste) in a learn-fast approach that is based on theoretical analysis and small-scale tests. The methodology was applied for wastes presenting a complex nature (such as reactive metals, ion exchange resins, oils and solvents, mercury, etc), known to interact with Portland cement from a chemical point of view and leading to durability issues of the wasteform (swelling, strength reduction, leaching) and thus reducing the final waste loading. Once the screening process is over, the main drivers for choosing the most appropriate solution to be further developed at pilot scale are: reducing the overall volume and the impact of the final waste package, ensure the waste package performance as defined by the disposal requirements and control the long-term behaviour in final disposal. Moreover, a modelling approach is addressed, aiming to develop a thermo-chemo-mechanical (THM) concrete models that are able to predict the behaviour of the structure (waste form) in time. The aim of the present paper is to describe the main principles within the developed methodology and illustrate it by using a few specific examples. Several distinct cement formulations are developed for complex wastes, limiting the chemical interaction between the cement matrix and the given wastes, obtaining better waste loadings and better overall durability behaviour which facilitates long term behaviour demonstration. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1997

Measurement Capabilities of Planar Doppler Velocimetry in Large-Scale Wind Tunnels

Over the past few years, Planar Doppler Velocimetry (PDT) has been shown by several laboratories to offer an attractive means for measuring three-dimensional velocity vectors everywhere in a light sheet placed in a flow. Unlike some other optical means of measuring flow velocities, PDT is particularly attractive for use in large wind tunnels where distances to the sample region may be several meters, because it does not require the spatial resolution and tracking of individual scattering particles or the alignment of crossed beams at large distances. To date, demonstrations of PDT (also called Doppler Global Velocimetry by some authors) have been made either in low speed flows without quantitative comparison to other measurements, or in supersonic flows where the Doppler shift is large and its measurement is relatively insensitive to instrumental errors. Moreover, most reported applications have relied on the use of continuous-wave lasers, which limit the measurement to time-averaged velocity fields. This work summarizes the results of two previous studies of PDT in which the use of pulsed lasers to obtain instantaneous velocity vector fields is evaluated. The objective has been to quantitatively define and demonstrate PDT capabilities for applications in large-scale wind tunnels that are intended primarily for the testing of rotorcraft and subsonic aircraft at speeds typically less than 100 m/s. For such applications, the adequate resolution of low-speed flow fields requires accurate measurements of small Doppler shifts that are obtained at distances of several meters from the sample region and with a field of view that is sufficient to encompass the entire region of interest. The use of pulsed lasers provides the unique capability to obtain not only time-averaged fields, but also their statistical fluctuation amplitudes and the spatial excursions of unsteady flow regions such as wakes, separations, and rotor-tip vortices. To accomplish the objectives of these studies, the PDT measurement process was first modeled and its performance evaluated computationally. The noise sources considered included those related to the optical and electronic properties of Charge-Coupled Device (CCD) arrays and to speckle effects associated with the coherent illumination of aerosols from pulsed lasers. The signal noise estimates were incorporated into the PDT signal analysis process and combined with computed scattering signals using a Mae scattering theory for a distributed range of aerosol particle sizes. The results are used to define the necessary instrument configuration, to show that the expected signal levels from a practical PDT system are sufficiently large to allow its useful application in large facilities, and to show that the expected velocity measurement uncertainties are small compared to the mean velocities of interest for most subsonic, large-scale wind tunnel testing, Experimental studies using several bench-top setups are then described that validate the physics of the PDT model and demonstrate the ability to obtain accurate PDT measurements using procedures that are compatible with large-scale wind tunnel operations. The PDT measurement capabilities found in this study lead to the conclusion that PDT offers significant advantages compared to other means of measuring velocity fields in large-scale wind tunnels, including those operating at low speeds.

McKenzie, Robert L.↗
DOE OSTI2018

Shallow Marine High-Resolution 3D Seismics for Above-Zone CO2 Monitoring: A Case Study in Offshore Japan

Shallow marine high-resolution 3D (HR3D) seismic utilizes a novel seismic acquisition technology for imaging fine geological features not revealed by conventional 3D surveys. HR3D technology has been previously used for shallow subsurface studies, however is rarely implemented for monitoring injected fluids, and has not previously been used to monitor an active CO2 storage project. In this study, we for the first time demonstrate the acquisition, processing and initial interpretation of a HR3D seismic survey in Tomakomai, offshore Japan, where a large-scale CO2 storage project is being undertaken. As a seismic monitoring tool, the HR3D survey images the geologic overburden (< 1000 ms), aiming to detect potential CO2 leakage pathways above the injection reservoir. The HR3D acquisition system comprises a 210 in3 GI air gun and 4 streamers that are 25 m in length with 10 m inline separation. Each streamer has 8 channels with a 3.125 m group interval, yielding a very small final bin size of 3 x 3 m. The short offset and low-fold coverage of the HR3D data creates new challenges in seismic data processing, which demands a different data processing workflow tailored to the HR3D acquisition. We present a data processing workflow involving multiple software processing packages, which tackled high-resolution related static issues and significantly reduced various noise elements. Dip-steering and structural filtering were employed on the stacked volume to further enhance the lateral coherence and to remove random noise and suppress acquisition footprints. The final volume shows flat and coherent above-zone stratigraphy, suggesting a good seal quality above the CO2 reservoir. The successful implementation of HR3D acquisition and the customized processing workflow verify the feasibility of HR3D seismics for the above- zone monitoring of offshore CO2 injection and storage projects.

Feng, Ye Erickson↗
DOE OSTI2018

SHALLOW MARINE HIGH-RESOLUTION 3D SEISMICS FOR ABOVE- ZONE CO2MONITORING: A CASE STUDY IN OFFSHORE JAPAN

Shallow marine high-resolution 3D (HR3D) seismic utilizes a novel seismic acquisition technology for imaging fine geological features not revealed by conventional 3D surveys. HR3D technology has been previously used for shallow subsurface studies, however is rarely implemented for monitoring injected fluids, and has not previously been used to monitor an active CO2 storage project. In this study, we for the first time demonstrate the acquisition, processing and initial interpretation of a HR3D seismic survey in Tomakomai, offshore Japan, where a large-scale CO2 storage project is being undertaken. As a seismic monitoring tool, the HR3D survey images the geologic overburden (< 1000 ms), aiming to detect potential CO2 leakage pathways above the injection reservoir. The HR3D acquisition system comprises a 210 in3 GI air gun and 4 streamers that are 25 m in length with 10 m inline separation. Each streamer has 8 channels with a 3.125 m group interval, yielding a very small final bin size of 3 x 3 m. The short offset and low-fold coverage of the HR3D data creates new challenges in seismic data processing, which demands a different data processing workflow tailored to the HR3D acquisition. We present a data processing workflow involving multiple software processing packages, which tackled high-resolution related static issues and significantly reduced various noise elements. Dip-steering and structural filtering were employed on the stacked volume to further enhance the lateral coherence and to remove random noise and suppress acquisition footprints. The final volume shows flat and coherent above-zone stratigraphy, suggesting a good seal quality above the CO2 reservoir. The successful implementation of HR3D acquisition and the customized processing workflow verify the feasibility of HR3D seismics for the above-zone monitoring of offshore CO2 injection and storage projects.

Feng, Ye E.↗
DOE OSTI2024

Non-Invasive Biophysical Techniques to Monitor the Structural Plasticity of the Photosynthetic Machinery of Live Diatom Cells

The photosynthetic performance of diatoms depends largely on the organization and structural flexibility of their thylakoid membranes, the densely packed, highly organized membrane vesicles in which light reactions of photosynthesis occur. Different regulatory mechanisms that fine tune the photosynthetic functions affect the organization of the photosynthetic machinery at different levels of structural complexity, from the level of individual protein complexes to the macroarray of membrane proteins and the remodeling of the entire thylakoid membrane system. To monitor these reorganizations, non-invasive techniques are of special value. In this chapter, we focus our attention on three of these techniques, which have been demonstrated to provide unique and useful information on the structure and structural and functional plasticity of live diatom cells: (i) circular dichroism (CD) spectroscopy, which has provided unique information on the chiral (macro-)organization of protein complexes and on their rapid, reversible reorganizations, fine-tuning the light-harvesting processes, as well as on variations in the short-range excitonic interactions in the antenna complexes; (ii) small-angle neutron scattering (SANS), which has been used to determine the periodic organization of the thylakoid membranes and to monitor reversible ultrastructural changes on the time-scale of minutes, induced by variations in the environmental conditions such as changes in temperature or light intensity; and (iii) electrochromic shift absorbance transients (ΔA ECS ), a spectroscopic tool which has been shown to be capable of identifying distinct functional groups of the light-harvesting carotenoid fucoxanthin in different diatoms and in cells exposed to different light intensities. Future use of these techniques will most certainly contribute to the deeper understanding of key regulatory mechanisms of photosynthesis in diatoms.

Szabo, Milan↗
DOE OSTI2019

Coupled‐cluster singles, doubles and perturbative triples with density fitting approximation for massively parallel heterogeneous platforms

Abstract A high‐performance implementation of the coupled‐cluster singles, doubles, and perturbative triples [CCSD(T)] is developed in the Massively Parallel Quantum Chemistry program. Novel features include: (1) reduced memory requirements via a density‐fitting (DF) CCSD implementation utilizing distributed lazy evaluation for tensors with more than two unoccupied indices and (2) the ability to utilize efficiently many‐core nodes (Intel Xeon Phi) and heterogeneous nodes with multiple NVIDIA GPUs on each node. All data that are greater than quadratic in the system size are distributed among processes. Excellent strong scaling is observed on distributed‐memory computers equipped with conventional CPUs, Intel Xeon Phi processors, and heterogeneous nodes with multiple NVIDIA GPUs Canonical CCSD(T) energies can be evaluated for systems containing 200 electrons and 1000 basis functions in a few days using a small size commodity cluster, with even larger computations possible on leadership‐class computing resources.

Peng, Chong↗