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At least 361 records · Page 20

HPC for the EEC: Industrial Trade Tools for the Aging Energy Infrastructure

The petrochemical and refining sectors are challenged with reliably delivering safer and cleaner energy to US consumers, while meeting an ever-growing global demand. The petrochemical and refining infrastructure in the USA is aging, and corrosion and damage mechanisms are constant threats to mechanical integrity, safety, and profitability. However, governments and industry stakeholders are reluctant to replace or upgrade the existing infrastructure due to the immense cost. To better understand and mitigate the risks of aging energy infrastructure, strong technical analysis capabilities, combined with optimized monitoring and decision making, is critical. Today, this is accomplished via complex simulations and data analysis. To this end, advanced High-Performance-Computing (HPC) software will be leveraged and integrated in easy-to-use industrial trade tools, to lower the barrier for new users, increase the ease of access for experienced users, and allow for smarter decisions to be made in the midstream and downstream energy sectors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Stepwise Dynamic Calibration of a Hydromechanical Simulation Using Time-Lapse Vertical Seismic Profile

This study aims to develop a methodology for calibrating subsurface stress changes through time-lapse Vertical Seismic Profiling (VSP) integration. The selected study site is the 13-10A injector well within the ongoing CO2-EOR operation of the Farnsworth Field Unit. The Time-lapse VSP dataset carries the combined effects of fluid substitution and mean effective stress changes, thereby providing a dataset amenable for the calibration of production and injection-induced stress changes. The concept is similar to calibrating a reservoir simulation model in that the process honor real field data to set up an inverse problem. The solution optimizes the independent and impactful geomechanical parameters that replicate the observed time-lapse seismic velocity changes. This stress calibration is enabled by 4D geomechanical modeling and the VSP Integration workflow. This calibration benefits from extensive geological, geophysical and geomechanical characterization through 3D seismic data, geophysical well logs, and core assessed as part of the 1D MEM conducted on the 13-10A subject well. These data are used to develop a site-specific rock physics model. The Biot Gassmann workflow combines rock physics and reservoir simulation outputs to determine the fluid substitution contribution to seismic velocity change. Additionally, modeled seismic velocity attributed to mean effective stress are determined from the geomechanical simulation outputs, and the stress-velocity relationship developed from the ultrasonic seismic velocity measurements on the extracted Morrow B core. A penalty function is then formed between the modeled seismic velocities and the observed time-lapse VSP dataset. Four independent and impactful geomechanical parameters have been determined. These are the bulk modulus and shear modulus for zero porosity and the shear and compressional seismic velocity to mean effective stress derivatives. The dataset of numerous coupled hydromechanical- geomechanical simulation realizations is built by combining variations of the four stated geomechanical parameters. A machine learning-assisted workflow comprised of an artificial neural network and a particle swarm optimizer are used to converge on the optimal geomechanical parameters. The successful execution of this workflow has affirmed the suitability of acoustic time-lapse measurements for 4D-VSP geomechanical stress calibration pending measurable stress sensitivities within the anticipated effective stress changes and the availability of suitable and reliable datasets for petroelastic modeling.

02 PETROLEUM↗

Combination of inclusive top-quark pair production cross-section measurements using ATLAS and CMS data at $ \sqrt{s} $ = 7 and 8 TeV

A combination of measurements of the inclusive top-quark pair production cross-section performed by ATLAS and CMS in proton–proton collisions at centre-of-mass energies of 7 and 8 TeV at the LHC is presented. The cross-sections are obtained using top-quark pair decays with an opposite-charge electron–muon pair in the final state and with data corresponding to an integrated luminosity of about 5 fb$^{−1}$ at $ \sqrt{s} $ = 7 TeV and about 20 fb$^{−1}$ at $ \sqrt{s} $ = 8 TeV for each experiment. The combined cross-sections are determined to be 178.5 ± 4.7 pb at $ \sqrt{s} $ = 7 TeV and $ {243.3}_{-5.9}^{+6.0} $ pb at $ \sqrt{s} $ = 8 TeV with a correlation of 0.41, using a reference top-quark mass value of 172.5 GeV. The ratio of the combined cross-sections is determined to be R$_{8/7}$ = 1.363 ± 0.032. The combined measured cross-sections and their ratio agree well with theory calculations using several parton distribution function (PDF) sets. The values of the top-quark pole mass (with the strong coupling fixed at 0.118) and the strong coupling (with the top-quark pole mass fixed at 172.5 GeV) are extracted from the combined results by fitting a next-to-next-to-leading-order plus next-to-next-to-leading-log QCD prediction to the measurements. Using a version of the NNPDF3.1 PDF set containing no top-quark measurements, the results obtained are $ {m}_t^{\textrm{pole}}={173.4}_{-2.0}^{+1.8} $ GeV and $ {\alpha}_{\textrm{s}}\left({m}_Z\right)={0.1170}_{-0.0018}^{+0.0021} $.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Combined searches for the production of supersymmetric top quark partners in proton–proton collisions at $\sqrt{s} = 13\,\text {Te}\text {V} $

A combination of searches for top squark pair production using proton–proton collision data at a center-of-mass energy of 13$\,\text {Te}\text {V}$ at the CERN LHC, corresponding to an integrated luminosity of 137$\,\text {fb}^{-1}$ collected by the CMS experiment, is presented. Signatures with at least 2 jets and large missing transverse momentum are categorized into events with 0, 1, or 2 leptons. New results for regions of parameter space where the kinematical properties of top squark pair production and top quark pair production are very similar are presented. Depending on the model, the combined result excludes a top squark mass up to 1325$\,\text {Ge}\text {V}$ for a massless neutralino, and a neutralino mass up to 700$\,\text {Ge}\text {V}$ for a top squark mass of 1150$\,\text {Ge}\text {V}$. Top squarks with masses from 145 to 295$\,\text {Ge}\text {V}$, for neutralino masses from 0 to 100$\,\text {Ge}\text {V}$, with a mass difference between the top squark and the neutralino in a window of 30$\,\text {Ge}\text {V}$ around the mass of the top quark, are excluded for the first time with CMS data. The results of theses searches are also interpreted in an alternative signal model of dark matter production via a spin-0 mediator in association with a top quark pair. Upper limits are set on the cross section for mediator particle masses of up to 420$\,\text {Ge}\text {V}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Automated inspection of turbine blades: Challenges and opportunities

Current inspection methods for complex shapes and contours exemplified by aircraft engine turbine blades are expensive, time-consuming and labor intensive. The logistics support of new manufacturing paradigms such as integrated product-process development (IPPD) for current and future engine technology development necessitates high speed, automated inspection of forged and cast jet engine blades, combined with a capability of retaining and retrieving metrology data for process improvements upstream (designer-level) and downstream (end-user facilities) at commercial and military installations. The paper presents the opportunities emerging from a feasibility study conducted using 3-D holographic laser radar in blade inspection. Requisite developments in computing technologies for systems integration of blade inspection in production are also discussed.

Mehta, Manish↗

A 294 GHz 0.47m W Caterpillar amplifier based transmitter in 65 nm CMOS for THz data-links

A fully integrated CMOS THz transmitter for short range data-links is presented which provides 0.47 mW of output power to 294 GHz. The output frequency is derived from a 147 GHz on-chip LO and fully differential caterpillar power amplifier combined with a transformer coupled frequency doubler. The transmitter is integrated with an on-chip dipole antenna for use in THz communication systems and consumes a total of 258 mW.

Chang, Mau-Chung Frank↗

From Micro-environments to Macroscopic Effects: How the Alkaline Hydrogen Evolution Reaction Drives Cu Cathodic Corrosion

Cathodic corrosion of copper (Cu) has posed a significant challenge for over a century, impeding various technological progresses such as electrochemical conversion of CO 2 (eCO 2 RR) into fuels and other value-added carbon products. Here, in this study, employing a combined Density Functional Theory (DFT) and kinetic Monte Carlo (kMC) simulation approach, we delve into the atomistic level mechanism driving this phenomenon in Cu. Our hypothesis posits the pivotal role of alkaline hydrogen evolution reaction (HER) in facilitating cathodic corrosion in Cu. We rigorously develop a pH-dependent hydroxide (OH) adsorption mechanism and calculate the equilibrium OH coverage (𝜃 OH ) at varying pH levels, the thermodynamic stability of subsurface oxygen (O sub ), as well as the Cu-vacancy mediated diffusion of subsurface oxygens (O sub ). Through comprehensive analysis, we establish correlation among various microenvironments, including oxygen diffusion in subsurface layers, pH-dependent OH adsorption, and Cu dissolution into the electrolyte as (Cu-OH) complexes. Furthermore, our investigation explores the correlation between surface coordination environment of active sites and cathodic corrosion of Cu. Finally, by integrating DFT-derived thermodynamic data into a kMC model, we successfully predict the formation of experimentally observed corrosion pits on Cu-surfaces. This combined approach not only advances our fundamental understanding of Cu cathodic corrosion but also offers insights crucial for developing effective corrosion mitigation strategies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

X-33 Integrated Test facility, Extended Range Simulation

In support of the X-33 Single Stage To Orbit program, NASA Dryden Flight Research Center was selected to provide continuous communications coverage of the X-33 vehicle from launch, through landing at Malmstrom Air Force Base, Montana and Michaels Army Air Field, Utah. An extensive real-time range simulation capability is being developed to ensure successful communications with the autonomous X-33 vehicle. This paper will provide an overview of the various levels of simulation being developed to support the X-33 extended range subsystems. These subsystems include the Flight Termination System, L-Band command uplink subsystem and the S-Band telemetry downlink subsystem. In addition, the radar model developed provides continuous azimuth, elevation and range information based on the flight trajectory. The Dynamic Ground Station Analysis model developed by NASA Goddard Space Flight Center, calculate the received signal strength at each ground station. This model takes into consideration Radio Frequency (RF) link parameters such as frequency, antenna gain, space loss, plasma effects and the vehicle's position and attitude at any point in time during the flight path. All three RF links are then attenuated based on this calculated level and the RF signals are sent into telemetry receivers to emulate remote sites, or the power incident on the vehicle from uplinked signals. The best source received telemetry data is then passed back to the Launch and Mission Control Monitoring System (LMCMS) resident in the Operations Control Center. The LMCMS also provides the range simulation system the uplink command combined with differential GPS corrections. Later stages will require the progressive integration of actual range hardware with this simulation effort, leading to communication between telemetry, uplink and FTS antennas at NASA Dryden Flight Research Center, with vehicle antennas mounted on the Walter C. Williams Research Aircraft Integration Facility (RAIF). Decommutated Pulse Code Modulated (PCM) data is displayed on one of the four monitors that comprise the Range Safety Officer's (RSO) station. Also displayed are instantaneous impact prediction models, and Federal Aviation Administration (FAA) data for notification of other traffic in the area. Aside from initiating the flight termination command and validating communication links, the RSO station with the range simulation will be used to provide both range control and range safety officers training. The training is necessary to perform their respective functions with greater levels of confidence prior to first flight.

Sharma, Ashley↗

Remote Sensing May Provide Unprecedented Hydrological Data

Basic hydrological research and water resources management may reap tremendous benefits from remote sensing technology, studies are showing. Satellite coverage may allow unprecedented accuracy in the quantification of the global hydrological cycle, for example. Yet despite such benefits, few hydrologists currently use such data. This is partly because the needed tools and algorithms are not fully developed. Such development requires field experiments that combine remotely sensed data with detailed in situ observations. AGU's Remote Sensing in Hydrology Committee has constructed a Web site (http://Iand.gsfc.nasa.gov/RSHC.html) that gives an overview of many such experiments. Included on the site is information on each experiment's overall goal, the types of in situ and remotely sensed measurements taken, relevant climate and vegetation conditions, and so forth. Links to additional relevant Web sites are included. The site is designed to be a suitable starting point for those interested in learning more about remote sensing in hydrology. It lists members of the committee who can be contacted for further information. Hydrologists have recognized the potential of remote sensing technology since the 1970s. It offers a way to avoid the logistical and economic difficulties associated with obtaining continuous in situ measurements of various hydrological variables, difficulties that are particularly pronounced in remote regions. Microwave instruments in particular can potentially provide all-weather, areally averaged estimates of certain variables (such as precipitation, soil moisture, and snow water content) that have been essentially unattainable in the past. In remote sensing, the conversion of emitted and reflected radiances into useful hydrological data is a complex problem. The measured radiances, for example, reflect the integrated character of a pixel area, a scale inconsistent with the point measurements of traditional hydrology. To develop the needed algorithms, field experiments must be designed that combine relevant satellite measurements with traditional in situ measurements in regions that are al- ready well understood hydrologically. Such field experiments can lead to the development of hydrological models that are driven with remotely sensed data. Once the performance of these models is deemed acceptable in the heavily monitored basins, they can be "transported" for use in regions having little or no in situ measurement system. Author,5: Randal D. Koster, Paul R. Houser and Edwin T. Engman, Hydrological Sciences Branch, Laboratory for Hydrospheric Process, NASA Goddard Space Flight Center, Greenbelt, Maryland, USA; William P. Kustas, Hydrology Laboratory, Agricultural Research Service, U.S. Department of Agriculture, Beltsville, Maryland, USA.

Koster, R.↗

Impedance-Based Detection of NO 2 Using Ni-MOF-74: Influence of Competitive Gas Adsorption

Chemically robust, low-power sensors are needed for the direct electrical detection of toxic gases. Metal–organic frameworks (MOFs) offer exceptional chemical and structural tunability to meet this challenge, though further understanding is needed regarding how coadsorbed gases influence or interfere with the electrical response. To probe the influence of competitive gases on trace NO 2 detection in a simulated flue gas stream, a combined structure–property study integrating synchrotron powder diffraction and pair distribution function analyses was undertaken, to elucidate how structural changes associated with gas binding inside Ni-MOF-74 pores correlate with the electrical response from Ni-MOF-74-based sensors. Data were evaluated for 16 gas combinations of N 2 , NO 2 , SO 2 , CO 2 , and H 2 O at 50 °C. Fourier difference maps from a rigid-body Rietveld analysis showed that additional electron density localized around the Ni-MOF-74 lattice correlated with large decreases in Ni-MOF-74 film resistance of up to a factor of 6 × 10 3 , observed only when NO 2 was present. These changes in resistance were significantly amplified by the presence of competing gases, except for CO 2 . Without NO 2 , H 2 O rapidly (<120 s) produced small (1–3×) decreases in resistance, though this effect could be differentiated from the slower adsorption of NO 2 by the evaluation of the MOF’s capacitance. Furthermore, samples exposed to H 2 O displayed a significant shift in lattice parameters toward a larger lattice and more diffuse charge density in the MOF pore. Evaluating the Ni-MOF-74 impedance in real time, NO 2 adsorption was associated with two electrically distinct processes, the faster of which was inhibited by competitive adsorption of CO 2 . Together, this work points to the unique interaction of NO 2 and other specific gases (e.g., H 2 O, SO 2 ) with the MOF’s surface, leading to orders of magnitude decrease in MOF resistance and enhanced NO2 detection. Finally, understanding and leveraging these coadsorbed gases will further improve the gas detection properties of MOF materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

LevSeq: Rapid Generation of Sequence-Function Data for Directed Evolution and Machine Learning

Sequence-function data provides valuable information about the protein functional landscape but is rarely obtained during directed evolution campaigns. Here, we present Long-read every variant Sequencing (LevSeq), a pipeline that combines a dual barcoding strategy with nanopore sequencing to rapidly generate sequence-function data for entire protein-coding genes. LevSeq integrates into existing protein engineering workflows and comes with open-source software for data analysis and visualization. The pipeline facilitates data-driven protein engineering by consolidating sequence-function data to inform directed evolution and provide the requisite data for machine learning-guided protein engineering (MLPE). LevSeq enables quality control of mutagenesis libraries prior to screening, which reduces time and resource costs. Simulation studies demonstrate LevSeq’s ability to accurately detect variants under various experimental conditions. Lastly, we show LevSeq’s utility in engineering protoglobins for new-to-nature chemistry. Widespread adoption of LevSeq and sharing of the data will enhance our understanding of protein sequence-function landscapes and empower data-driven directed evolution.

59 BASIC BIOLOGICAL SCIENCES↗

Exascale workflow applications and middleware: An ExaWorks retrospective

Exascale computers offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discovery and insight. However, these software combinations and integrations are difficult to achieve due to the challenges of coordinating and deploying heterogeneous software components on diverse and massive platforms. Here, we present the ExaWorks project, which addresses many of these challenges. We developed a workflow Software Development Toolkit (SDK), a curated collection of workflow technologies that can be composed and interoperated through a common interface, engineered following current best practices, and specifically designed to work on HPC platforms. ExaWorks also developed PSI/J, a job management abstraction API, to simplify the construction of portable software components and applications that can be used over various HPC schedulers. The PSI/J API is a minimal interface for submitting and monitoring jobs and their execution state across multiple and commonly used HPC schedulers. We also describe several leading and innovative workflow examples of ExaWorks tools used on DOE leadership platforms. Furthermore, we discuss how our project is working with the workflow community, large computing facilities, and HPC platform vendors to address the requirements of workflows sustainably at the exascale.

97 MATHEMATICS AND COMPUTING↗

Protonospheric columnar electron content determination. I - Analysis.

A combination of phase-path length difference and Faraday rotation angle data obtained from geostationary satellite transmissions is used to determine the integration constant necessary to convert phase-path length difference information into absolute values of total slant columnar electron content. The total content thus determined, which is the sum of the ionospheric and protonospheric contents, is measured with uncertainties about one order of magnitude smaller than the value of the protonospheric content. It is thus, in principle, possible to determine the latter by subtracting from the measurement the so-called 'Faraday content.' This idea, proposed by several authors in the past, is critically examined in the present paper. It is impossible to totally eliminate the ionospheric contribution to the measurements; however, it is shown that the degree of elimination depends on the type of distribution of the longitudinal component of the geomagnetic field along the path of observation. Satisfactory minimization of the ionospheric contribution can be accomplished only under certain geometries of observation.

Almeida, O. G.↗

Phase ambiguity resolution for offset QPSK modulation systems

A demodulator for Offset Quaternary Phase Shift Keyed (OQPSK) signals modulated with two words resolves eight possible combinations of phase ambiguity which may produce data error by first processing received I(sub R) and Q(sub R) data in an integrated carrier loop/symbol synchronizer using a digital Costas loop with matched filters for correcting four of eight possible phase lock errors, and then the remaining four using a phase ambiguity resolver which detects the words to not only reverse the received I(sub R) and Q(sub R) data channels, but to also invert (complement) the I(sub R) and/or Q(sub R) data, or to at least complement the I(sub R) and Q(sub R) data for systems using nontransparent codes that do not have rotation direction ambiguity.

Nguyen, Tien M.↗

Data compression for near Earth and deep space to Earth transmission

Key issues of data compression for near Earth and deep space to Earth transmission discussion group are briefly presented. Specific recommendations as made by the group are as follows: (1) since data compression is a cost effective way to improve communications and storage capacity, NASA should use lossless data compression wherever possible; (2) NASA should conduct experiments and studies on the value and effectiveness of lossy data compression; (3) NASA should develop and select approaches to high ratio compression of operational data such as voice and video; (4) NASA should develop data compression integrated circuits for a few key approaches identified in the preceding recommendation; (5) NASA should examine new data compression approaches such as combining source and channel encoding, where high payoff gaps are identified in currently available schemes; and (6) users and developers of data compression technologies should be in closer communication within NASA and with academia, industry, and other government agencies.

Erickson, Daniel E.↗

Neurolab Biotelemetry System (NBS)

This system was developed by the Sensors 2000! Program (S2K!) at Ames Research Center for the E132 STS-90 Neurolab Shuttle mission experiment to monitor 12 untethered adult male rats housed in the Research Animal Habitat Facility (RAHF). The system monitored the animals for body temperature, heart rate, and activity, and stored the data on board for up to 21 days for downloading after landing. The principal investigator's monitoring requirements were accomplished integrating a combination of both commercial and in-house developed hardware and software, including an off-the-shelf implantable telemetry transmitter and receiver system. In addition, a custom-developed antenna system was incorporated into the RAHF cages to perform the unique function of near-field radio-frequency (rf) measurement in the metal cages. This system proved the ability to perform wireless physiological measurements in very non-ideal circumstances using existing habitats and cabling without interfering with other experiment or shuttle systems. S2K! is continuing development on a custom telemetry transmitter and receiver system which will expand measurement capabilities.

Schonfeld, J.↗

Offshore Wind Farm Turbine and Energy Storage Optimization

Abstract This paper evaluates the technical and economic feasibility of repurposing decommissioned offshore oil and gas platforms as electrical substations for offshore wind projects in the U.S. Gulf of America, a region characterized by relatively low and highly variable wind speeds, extensive legacy offshore infrastructure, and exposure to merchant electricity markets. A unified techno-economic framework is developed using the Repurposing Offshore Infrastructure for Continued Energy (ROICE) Economic Model (REM) to integrate Gulfspecific wind resource assessment, commercial wind turbine performance, offshore infrastructure cost modeling, and wholesale electricity market exposure. Gulf wind speed data are vertically extrapolated to turbine hub height and combined with manufacturer power curves to compute annual energy production and capacity factors across a broad portfolio of commercial turbines, enabling identification of turbine designs best suited for low-wind offshore environments. Hourly electricity price data from the Midcontinent Independent System Operator (MISO) day-ahead market are incorporated to characterize revenue potential, price volatility, and the temporal alignment between wind generation and market conditions. In addition, a conceptual framework for offshore battery energy storage system (BESS) integration is developed to support future investigation of market-responsive energy shifting at repurposed platforms. Results from the turbine evaluation demonstrate that machines with lower cut-in wind speeds and earlier ‘rated-power’ characteristics significantly outperform larger, industry-standard offshore turbines for the same net power under Gulf wind conditions, underscoring the need for region-specific technology selection. Market analysis further reveals substantial price variability and limited intrinsic alignment between wind production and high-price periods, motivating consideration of operational flexibility mechanisms. While storage optimization is not implemented in this study, the REM framework establishes a transparent and replicable foundation for co-evaluating turbine selection, infrastructure constraints, and market exposure, providing a practical pathway for assessing the potential role of repurposed offshore platforms in enabling economically viable offshore wind development in the Gulf of America.

02 PETROLEUM↗

The Computing and Data Grid Approach: Infrastructure for Distributed Science Applications

With the advent of Grids - infrastructure for using and managing widely distributed computing and data resources in the science environment - there is now an opportunity to provide a standard, large-scale, computing, data, instrument, and collaboration environment for science that spans many different projects and provides the required infrastructure and services in a relatively uniform and supportable way. Grid technology has evolved over the past several years to provide the services and infrastructure needed for building 'virtual' systems and organizations. We argue that Grid technology provides an excellent basis for the creation of the integrated environments that can combine the resources needed to support the large- scale science projects located at multiple laboratories and universities. We present some science case studies that indicate that a paradigm shift in the process of science will come about as a result of Grids providing transparent and secure access to advanced and integrated information and technologies infrastructure: powerful computing systems, large-scale data archives, scientific instruments, and collaboration tools. These changes will be in the form of services that can be integrated with the user's work environment, and that enable uniform and highly capable access to these computers, data, and instruments, regardless of the location or exact nature of these resources. These services will integrate transient-use resources like computing systems, scientific instruments, and data caches (e.g., as they are needed to perform a simulation or analyze data from a single experiment); persistent-use resources. such as databases, data catalogues, and archives, and; collaborators, whose involvement will continue for the lifetime of a project or longer. While we largely address large-scale science in this paper, Grids, particularly when combined with Web Services, will address a broad spectrum of science scenarios. both large and small scale.

Johnston, William E.↗