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At least 631 records · Page 35

Integrating quantum computing resources into scientific HPC ecosystems

Quantum Computing (QC) offers significant potential to enhance scientific discovery in fields such as quantum chemistry, optimization, and artificial intelligence. Yet QC faces challenges due to the noisy intermediate-scale quantum era’s inherent external noise issues. Here, this paper discusses the integration of QC as a computational accelerator within classical scientific high-performance computing (HPC) systems. By leveraging a broad spectrum of simulators and hardware technologies, we propose a hardware-agnostic framework for augmenting classical HPC with QC capabilities. Drawing on the HPC expertise of the Oak Ridge National Laboratory (ORNL) and the HPC lifecycle management of the Department of Energy (DOE), our approach focuses on the strategic incorporation of QC capabilities and acceleration into existing scientific HPC workflows. This includes detailed analyses, benchmarks, and code optimization driven by the needs of the DOE and ORNL missions. Our comprehensive framework integrates hardware, software, workflows, and user interfaces to foster a synergistic environment for quantum and classical computing research. This paper outlines plans to unlock new computational possibilities, driving forward scientific inquiry and innovation in a wide array of research domains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Development of Human System Integration at NASA

Human Systems Integration seeks to design systems around the capabilities and limitations of the humans which use and interact with the system, ensuring greater efficiency of use, reduced error rates, and less rework in the design, manufacturing and operational deployment of hardware and software. One of the primary goals of HSI is to get the human factors practitioner involved early in the design process. In doing so, the aim is to reduce future budget costs and resources in redesign and training. By the preliminary design phase of a project nearly 80% of the total cost of the project is locked in. Potential design changes recommended by evaluations past this point will have little effect due to lack of funding or a huge cost in terms of resources to make changes. Three key concepts define an effective HSI program. First, systems are comprised of hardware, software, and the human, all of which operate within an environment. Too often, engineers and developers fail to consider the human capacity or requirements as part of the system. This leads to poor task allocation within the system. To promote ideal task allocation, it is critical that the human element be considered early in system development. Poor design, or designs that do not adequately consider the human component, could negatively affect physical or mental performance, as well as, social behavior. Second, successful HSI depends upon integration and collaboration of all the domains that represent acquisition efforts. Too often, these domains exist as independent disciplines due to the location of expertise within the service structure. Proper implementation of HSI through participation would help to integrate these domains and disciplines to leverage and apply their interdependencies to attain an optimal design. Via this process domain interests can be integrated to perform effective HSI through trade-offs and collaboration. This provides a common basis upon which to make knowledgeable decisions. Finally, HSI must be considered early in the requirements development phase of system design and acquisition. This will provide the best opportunity to maximize return on investment (ROI) and system performance. HSI requirements must be developed in conjunction with capability ]based requirements generation through functional. HSI requirements will drive HSI metrics and embed HSI issues within the system design. After a system is designed, implementation of HSI oversights can be very expensive. An HSI program should be included as an integral part of a total system approach to vehicle and habitat development. This would include, but not limited to, workstation design, D&C development, volumetric analysis, training, operations, and human -robotic interaction. HSI is a necessary process for Human Space Flight programs to meet the Agency Human ]System standards and thus mitigate human risks to acceptable levels. NASA has been involved in HSI planning, procedures development, process, and implementation for many years, and has been building several internal and publicly accessible products to facilitate HSI fs inclusion in the NASA Systems Engineering Lifecycle. Some of these products include: NASA STD 3001 Volumes 1 and 2, Human Integration Design Handbook, NASA HSI Implementation Plan, NASA HSI Implementation Plan Templates, NASA HSI Implementation Handbook, and a 2 ]hour short course on HSI delivered as part of the NASA Space and Life Sciences Directorate Academy. These products have been created leveraging industry best practices and lessons learned from other Federal Government agencies.

Whitmore, Mihriban↗

Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

Triacetic acid lactone (TAL) has the potential to serve as a bioderived platform chemical for commercial products including sorbic acid and recyclable polydiketoenamine plastics. In this study, we leveraged BioSTEAM to design, simulate, and evaluate (via techno-economic analysis, TEA, and life cycle assessment, LCA) TAL production from sugarcane. We experimentally characterized TAL solubility, calibrated solubility models, and designed a process to separate TAL from fermentation broths by crystallization. The biorefinery could produce TAL at a minimum product selling price (MPSP) of $\$3.73$–5.86·kg –1 (5th–95th percentiles; baseline at $\$4.60$·kg –1 ) and a carbon intensity (CI) of 5.31 [2.60–8.71] kg CO 2 -eq·kg –1 , which could enable financially viable, low-CI production of sorbic acid and polydiketoenamines. To drive down costs and CI, we explored the theoretical fermentation space (titer, yield, productivity combinations), operation scheduling and capacity expansion strategies (e.g., integrated sorghum processing), and potential separation improvements (mitigating TAL loss through pH control). Advancements in key design and technological parameters could further reduce MPSP by 51% to $\$2.26$·kg –1 [$\$1.97$–2.80·kg –1 ] and CI by 43% to 3.05 [1.91–4.15] kg CO 2 -eq·kg –1 . This research highlights the ability of agile TEA-LCA to screen promising designs, navigate sustainability trade-offs, prioritize research needs, and chart quantitative roadmaps to advance bioproducts and biofuels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Machine Learning of Bacterial Transcriptomes Reveals Responses Underlying Differential Antibiotic Susceptibility

In vitro antibiotic susceptibility testing often fails to accurately predict in vivo drug efficacies, in part due to differences in the molecular composition between standardized bacteriologic media and physiological environments within the body. Here, we investigate the interrelationship between antibiotic susceptibility and medium composition in Escherichia coli K-12 MG1655 as contextualized through machine learning of transcriptomics data. Application of independent component analysis, a signal separation algorithm, shows that complex phenotypic changes induced by environmental conditions or antibiotic treatment are directly traced to the action of a few key transcriptional regulators, including RpoS, Fur, and Fnr. Integrating machine learning results with biochemical knowledge of transcription factor activation reveals medium-dependent shifts in respiration and iron availability that drive differential antibiotic susceptibility. By extension, the data generation and data analytics workflow used here can interrogate the regulatory state of a pathogen under any measured condition and can be applied to any strain or organism for which sufficient transcriptomics data are available.

59 BASIC BIOLOGICAL SCIENCES↗

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol

We seek to completely revise current models of airborne transmission of respiratory viruses by providing never-before-seen atomic-level views of the SARS-CoV-2 virus within a respiratory aerosol. Our work dramatically extends the capabilities of multiscale computational microscopy to address the significant gaps that exist in current experimental methods, which are limited in their ability to interrogate aerosols at the atomic/molecular level and thus obscure our understanding of airborne transmission. We demonstrate how our integrated data-driven platform provides a new way of exploring the composition, structure, and dynamics of aerosols and aerosolized viruses, while driving simulation method development along several important axes. We present a series of initial scientific discoveries for the SARS-CoV-2 Delta variant, noting that the full scientific impact of this work has yet to be realized.

60 APPLIED LIFE SCIENCES↗

Decarbonizing the U.S. Economy by 2050: A National Blueprint for the Buildings Sector

Residential and commercial buildings are among the largest sources of carbon dioxide and other greenhouse gas (GHG) emissions in the United States, responsible for more than one-third of total U.S. GHG emissions. There are nearly 130 million existing buildings in the United States, with 40 million new homes and 60 billion square feet of commercial floorspace expected to be constructed between now and 2050. Today, most buildings consume large amounts of energy and cause significant climate pollution to meet our basic needs. Buildings account for 74% of U.S. electricity use and building heating and cooling drives peak electricity demand. Moreover, buildings are where electric vehicles (EVs), solar, storage, heat pumps, water heaters, and other distributed energy resources integrate with the electricity system. Consequently, the buildings sector will play a key role in achieving economywide net-zero emissions by 2050.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Appraisal of UTIAS implosion-driven hypervelocity launchers and shock tubes.

A critical appraisal is made of the design, research, development, and operation of the novel UTIAS implosion-driven hypervelocity launchers and shock tubes. Explosively driven (PbN6-lead azide, PETN-pentaerythritetetranitrate) implosions in detonating stoichiometric hydrogen-oxygen mixtures have been successfully developed as drivers for hypervelocity launchers and shock tubes in a safe and reusable facility. Intense loadings at very high calculated pressures, densities, and temperatures, at the implosion center, cause severe problems with projectile integrity. Misalignment of the focal point can occur and add to the difficulty in using small caliber projectiles. In addition, the extreme driving conditions cause barrel expansion, erosion, and possible gas leakage from the base to the head of the projectile which cut the predicted muzzle velocities to half or a third of the lossless calculated values. However, in the case of a shock-tube operation these difficulties are minimized or eliminated and the possibilities of approaching Jovian reentry velocities are encouraging.

Glass, I. I.↗

The Evolution of Dust in the Multiphase ISM: Grain Destruction Processes

This proposal covered year one of a long term project in which we acquired the necessary hardware and softwaxe needed to calculate grain destruction processes in the interstellar medium (ISM). The long term goal of this research is to develop a model for the dust evolution in the ISM capable of explaining observations of elemental depletions, the grain size distribution, and the emission characteristics of the ISM from the X-ray through the FIR. We purchased a SUN Ultra 10 workstation and peripheral devices including an Exabyte Tape drive, HP Laser Printer, and Seagate External Hard Disk. The PI installed the hardware and Solaris operating system on the workstation and integrated the hardware into the network. Software was also purchased to enable connections to the workstation from a PC (Hummingbird Exceed). Additional freeware required to carry out the proposed program was installed on the system including compilers (g77, gcc, g++), editors (emacs), a markup language (LaTeX), and display programs (WIP, XV, SAOtng). We have also successfully modified the required plot files to work with our system which display the results of grain processing.

Wolfire, Mark↗

Analysis of a Generally Oriented Crack in a Functionally Graded Strip Sandwiched Between Two Homogeneous Half Planes

The driving forces for a generally oriented crack embedded in a Functionally Graded strip sandwiched between two half planes are analyzed using singular integral equations with Cauchy kernels, and integrated using Lobatto-Chebyshev collocation. Mixed-mode Stress Intensity Factors (SIF) and Strain Energy Release Rates (SERR) are calculated. The Stress Intensity Factors are compared for accuracy with previously published results. Parametric studies are conducted for various nonhomogeneity ratios, crack lengths. crack orientation and thickness of the strip. It is shown that the SERR is more complete and should be used for crack propagation analysis.

Shbeeb, N.↗

Potential Predictability of U.S. Summer Climate with "Perfect" Soil Moisture

The potential predictability of surface-air temperature and precipitation over the United States continent was assessed for a GCM forced by observed sea surface temperatures and an estimate of observed ground soil moisture contents. The latter was obtained by substituting the GCM simulated precipitation, which is used to drive the GCM's land-surface component, with observed pentad-mean precipitation at each time step of the model's integration. With this substitution, the simulated soil moisture correlates well with an independent estimate of observed soil moisture in all seasons over the entire US continent. Significant enhancements on the predictability of surface-air temperature and precipitation were found in boreal late spring and summer over the US continent. Anomalous pattern correlations of precipitation and surface-air temperature over the US continent in the June-July-August season averaged for the 1979-2000 period increased from 0.01 and 0.06 for the GCM simulations without precipitation substitution to 0.23 and 0.3 1, respectively, for the simulations with precipitation substitution. Results provide an estimate for the limits of potential predictability if soil moisture variability is to be perfectly predicted. However, this estimate may be model dependent, and needs to be substantiated by other modeling groups.

Yang, Fanglin↗

The Effectiveness of TAG or Guard-Gates in SET Suppression Using Delay and Dual-Rail Configurations at 0.35 microns

Design options for decreasing the susceptibility of integrated circuits to Single Event Upset (SEU) fall into two categories: (1) increasing the critical charge to cause an upset at a particular node, and (2) employing redundancy to mask or correct errors. With decreasing device sizes on an Integrated Circuit (IC), the amount of charge required to represent a logic state has steadily reduced. Critical charge methods such as increasing drive strength or increasing the time required to change state as in capacitive or resistive hardening or delay based approaches extract a steadily increasing penalty as a percentage of device resources and performance. Dual redundancy is commonly assumed only to provide error detection with Triple Modular Redundancy (TMR) required for correction, but less well known methods employ dual redundancy to achieve full error correction by voting two inputs with a prior state to resolve ambiguity. This requires special circuits such as the Whitaker latch [1], or the guard-gate [2] which some of us have called a Transition AND Gate (TAG) [3]. A 2-input guard gate is shown in Figure 1. It is similar to a Muller Completion Element [4] and relies on capacitance at node "out" to retain the prior state when inputs disagree, while eliminating any output buffer which would be susceptible to radiation strikes. This paper experimentally compares delay based and dual rail flip-flop designs wherein both types of circuits employ guard-gates to optimize layout and performance, and draws conclusions about design criteria and suitability of each option. In both cases a design goal is protection against Single Event Transients (SET) in combinational logic as well as SEU in the storage elements. For the delay based design, it is also a goal to allow asynchronous clear or preset inputs on the storage elements, which are often not available in radiation tolerant designs.

Shuler, Robert L.↗

The Salience of Nonlinearities in the Boreal Winter Response to ENSO: Arctic Stratosphere and Europe

The salience of nonlinearities in the Arctic stratospheric response to El Niño - Southern Oscillation (ENSO) is evaluated in a 41 member ensemble of the period 1980 to 2009 in the NASA Goddard Earth Observing System Chemistry-Climate Model. Central Pacific El Niño (CP EN) events preferentially increase zonal wavenumber 2, while Eastern Pacific El Niño (EP EN) events preferentially increase zonal wavenumber 1, though these nonlinearities become statistically robust only after more than 45 events are considered. This leads to a difference in the morphology of SSW events preferentially forced by each ENSO flavor. While the zonal-mean Arctic stratospheric response is little different between EP and CP EN once one accounts for the relative weakness of CP events, the tropospheric subpolar negative North Atlantic Oscillation response is stronger for CP events. Other nonlinearities are even less salient: there is no indication of any nonlinearities in the wave driving between moderate EP EN and extreme EP EN, nor between EN and La Niña (LN). However in approximately 15% of the integrations within our ensemble, there is no difference in SSW frequency between EN and LN, suggesting that a similar SSW frequency for both EN and LN, as has occurred over the past 60 years, can occur by chance. The intra-ensemble variability in LN SSW frequency can be related back to intra-ensemble variability in the tropospheric response to LN.

Arctic↗

Elevated CO2 Could Undermine an Exploration Crew's Ability to Independently Respond to Unanticipated, Time- and Safety-Critical Anomalies

Safety and mission critical anomalies are inevitable on NASA exploration missions. Delays and interruptions in communication with Earth-experts drives the requirement that crew resolve some time- and safety-critical anomalies on their own. The HRP, HFBP, Human-System Integration Architecture (HSIA) risk refers to the possibility that, during communication blackouts and thus the absence of vast ground expertise, a small crew may not be able to independently respond to unanticipated, time-critical malfunctions or to detect safety critical procedure errors.

carbon dioxide↗

TAILSIM Users Guide

The TAILSIM program uses a 4th order Runge-Kutta method to integrate the standard aircraft equations-of-motion (EOM). The EOM determine three translational and three rotational accelerations about the aircraft's body axis reference system. The forces and moments that drive the EOM are determined from aerodynamic coefficients, dynamic derivatives, and control inputs. Values for these terms are determined from linear interpolation of tables that are a function of parameters such as angle-of-attack and surface deflections. Buildup equations combine these terms and dimensionalize them to generate the driving total forces and moments. Features that make TAILSIM applicable to studies of tailplane stall include modeling of the reversible control System, modeling of the pilot performing a load factor and/or airspeed command task, and modeling of vertical gusts. The reversible control system dynamics can be described as two hinged masses connected by a spring. resulting in a fifth order system. The pilot model is a standard form of lead-lag with a time delay applied to an integrated pitch rate and/or airspeed error feedback. The time delay is implemented by a Pade approximation, while the commanded pitch rate is determined by a commanded load factor. Vertical gust inputs include a single 1-cosine gust and a continuous NASA Dryden gust model. These dynamic models. coupled with the use of a nonlinear database, allow the tailplane stall characteristics, elevator response, and resulting aircraft response, to be modeled. A useful output capability of the TAILSIM program is the ability to display multiple post-run plot pages to allow a quick assessment of the time history response. There are 16 plot pages currently available to the user. Each plot page displays 9 parameters. Each parameter can also be displayed individually. on a one plot-per-page format. For a more refined display of the results the program can also create files of tabulated data. which can then be used by other plotting programs. The TAILSIM program was written straightforwardly assuming the user would want to change the database tables, the buildup equations, the output parameters. and the pilot model parameters. A separate database file and input file are automatically read in by the program. The use of an include file to set up all common blocks facilitates easy changing of parameter names and array sizes.

Hiltner, Dale W.↗

TRANSP integrated modeling code for interpretive and predictive analysis of tokamak plasmas

This paper provides a comprehensive review of the TRANSP code, a sophisticated tool for interpretive and predictive analysis of tokamak plasmas, detailing its major capabilities and features. It describes the equations for particle, power, and momentum balance analysis, as well as the poloidal field diffusion equations. The paper outlines the spatial and time grids used in TRANSP and details the equilibrium assumptions and solvers. Various models for heating and current drive and radiation, including updates to the NUBEAM model, are discussed. The handling of large-scale events such as sawtooth crashes and pellet injections is examined, along with the predictive capabilities for advancing plasma profiles. The integration of TRANSP with the ITER Integrated Modeling and Analysis Suite (IMAS) is highlighted, demonstrating enhanced data access and analysis capabilities. Additionally, the paper discusses best practices and continuous integration techniques to enhance TRANSP's robustness. The suite of TRANSP tools, designed for efficient data analysis and simulation, further supports the optimization of tokamak operations and coupling with other tokamak codes. Continuous development and support ensure that TRANSP remains a major code for the analysis of experimental data for controlled thermonuclear fusion, maintaining its critical role in supporting the optimization of tokamak operations and advancing fusion research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Roman Space Telescope - Demonstration of Integrated Thermal Control System Test for the Optical Telescope

On-orbit optical stability of the Nancy Grace Roman Space Telescope (RST) is a key requirement that enables multiple science objectives and drives multiple aspects of telescope design and analysis. Thermoelastic changes are typically large contributors to optical instability, and both extremely low CTE materials and extremely stable temperatures are needed to achieve the RST optical stability requirements. We will present the results from a test that demonstrated the L3Harris capability to sense and control temperatures to milli-kelvin levels of stability across a range of operating temperatures.

RST, Roman Space Telescope, Temperature Sensing, T↗

Aircraft electric motor with integrated cooling system

Aircraft electric motors include a motor unit having a rotor and a stator. The stator includes a plurality of windings and cooling channels arranged to provide cooling thereto. A drive unit is configured to drive operation of the motor unit. A cooling system includes a working fluid arranged within a cooling fluid flow path, wherein the cooling fluid flow path includes a liquid cooling path configured to direct flow of the working fluid through, at least, the cooling channels of the motor unit and a vapor cooling path configured to direct flow of the working fluid through the drive unit and a separator arranged upstream of each of the liquid cooling path and the vapor cooling path and configured to direct a liquid portion of the working fluid into the liquid cooling path and configured to direct a vapor portion of the working fluid into the vapor cooling path.

Alahyari, Abbas A.↗