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DOE OSTI2020

An empirical study of I/O separation for burst buffers in HPC systems

To meet the exascale I/O requirements for the High-Performance Computing (HPC), a new I/O subsystem, Burst Buffer, based on solid state drives (SSD), has been developed. However, the diverse HPC workloads and the bursty I/O pattern cause severe data fragmentation that requires costly garbage collection (GC) and increases the number of bytes written to the SSD. To address this data fragmentation challenge, a new multi-stream feature has been developed for SSDs. In this work, we develop an I/O Separation scheme called BIOS to leverage this multi-stream feature to group the I/O streams based on the user IDs. We propose a stream-aware scheduling policy based on burst buffer pools in the workload manager, and integrate the BIOS with the workload manager to optimize the I/O separation scheme in burst buffer. We evaluate the proposed framework with a burst buffer I/O traces from Cori Supercomputer including a diverse set of applications. Experimental results show that the BIOS could improve the performance by 1.44x on average and reduce the Write Amplification Factor (WAF) by up to 1.20x. Finally, these demonstrate the potential benefits of the I/O separation scheme for solid state storage systems.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1987

Stochastic control of infinite dimensional systems in Hilbert space: A factorization perspective

A factorization perspective on problems of optimal causal estimation and optimal causal control of linear stochastic systems defined on an infinite-dimensional Hilbert space is presented. A separation principle is derived for the case in which the system input/output map is generated by an abstract evolution operator. The factorization formalism allows for an essentially algebraic approach to these problems.

Milman, Mark M.↗

NASA NTRS2018

Airborne Trajectory Management for Urban Air Mobility

Urban Air Mobility (UAM) has captured the imagination of the public and the aviation industry for someday soon moving people and goods through and around metropolitan areas using Unmanned Aircraft Systems (UAS) that are electrically powered, environmentally friendly, and autonomously operated. Significant investment and rapid development of vehicles for this activity is taking place, with package delivery services already beginning in some areas. However, the ability to manage thousands of these vehicles safely in a congested urban area presents a challenge unprecedented in air traffic management. Initial studies of this problem led by NASA under the UAS Traffic Management (UTM) initiative have primarily focused on geo-fencing and centralized reservation of airspace for individual flights. This paper proposes an extension of UTM using a de-centralized approach employing airborne surveillance, self-separation, and a minimized “design separation” approach to permit the optimization and safety of each flight in very high traffic densities and close proximities. The concept employs Airborne Trajectory Management (ABTM) principles and a novel new concept for variable separation criteria to manage the angular velocity of a passing vehicle, thus eliminating the "startle factor" and perceived hazard of very close operations. ABTM also accomplishes most of the services required for safe planning and execution of normal flights and recovery from abnormal or emergency operations while accommodating conventional piloted flights using the current air traffic control paradigm. The environment for UAM operations is described along with the proposed means for autonomous, tactical separation of the vehicles. Sample geometries of traffic conflicts and resolutions are shown and the airspace definitions, rules for flight within them, and additions and exemptions to the rules for these flights are listed and explained.

Cotton, William↗

DOE OSTI2024

Optimization of ray-tracing simulations to confirm performance of the GP-SANS instrument at the High-Flux Isotope Reactor

The CG-2 beamline at the High Flux Isotope Reactor (HFIR) exhibits a notable discrepancy between observed count rates and the count rates we would expect based on a Monte-Carlo neutron ray-trace simulation. These simulations consistently predict count rates approximately five times greater than those observed in four separate experimental runs involving different instrument configurations. This discrepancy suggests that certain factors are causing losses in measurements that are not adequately accounted for in the simulation, in particular guide reflectivity or misalignment. To investigate these discrepancies, a high-dimensional simulation parameter approach is applied in order to understand the losses. Region of Interest (ROI) groups along the instrument are assigned to different surfaces of the guide components within the simulation. This allows the parameters of those guide components to be varied as a group to minimize the complexity of the search space. The result is an optimization of simulation parameters using an iterative scheme that aims to minimize the difference between experimentally measured count rates and simulated count rates across all tested collimator combinations. This proposed methodology holds the potential to reveal previously unrecognized sources of intensity loss in the CG-2 beamline at HFIR and improve the accuracy of simulations, leading to enhanced understanding and performance of the beamline for various scientific applications.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

Phase Behavior of Diblock Copolymer–Homopolymer Ternary Blends with a Compositionally Asymmetric Diblock Copolymer

The phase behavior of ternary polymer blends comprising poly(cyclohexylethylene) (C) and polyethylene (E) homopolymers and a compositionally asymmetric CE diblock copolymer with f C = 0.67 was investigated, where f C is the volume fraction of C. Morphology was established in the phase prism (volume fractions of C, E, and CE vs. temperature) by optical transmission, small-angle X-ray scattering (SAXS), and small-angle neutron scattering (SANS) measurements. The locations of lamellar (LAM), hexagonally packed cylinders (HEX), and gyroid (GYR) ordered phases are shifted significantly towards lower fractions of C homopolymer compared to previous results obtained from ternary polymer blends with a symmetric diblock copolymer (f C = 0.5). Conversely, the Scott line of critical points, which delineates the boundary between single-phase disorder and macroscopic phase separation, remains virtually unchanged, coincident with the fraction of C homopolymer associated with the binary homopolymer blend critical composition. A central finding of this study is that the line of nearly congruent order-disorder transitions, where the LAM phase melts virtually directly into the disordered state, is decoupled in composition from that of the Scott line of critical points. A wide range of phase space between the compositions associated with the congruent transition and Scott line was identified as containing a microemulsion morphology. This study demonstrates that diblock copolymer compositional asymmetry significantly impacts the ordered phase regime but has a marginal effect on the region displaying macroscopic phase separation. It also provides useful guidance for tuning interfacial curvature, a crucial factor in the formation of bicontinuous microemulsions (BµEs).

36 MATERIALS SCIENCE↗

DOE OSTI2021

Intercomparison of Thermal Regime Algorithms in 1-D Lake Models

Lakes are an important component of the global weather and climate system, but the modeling of their thermal regimes has shown large uncertainties due to the highly diverse lake properties and model configurations. Here we evaluate the algorithms of four key lake thermal processes including turbulent heat fluxes, wind-driven mixing, light extinction, and snow density, using a highly diverse lake dataset provided by the Inter-sectoral Impact Model Intercomparison Project (ISIMIP) 2a lake sector. Algorithm codes are configured and run separately within the same parent model to rule out any interference from factors apart from the algorithms examined. Evaluations are based on both simulation accuracy and recalibration complexity for application to global lakes. For turbulent heat fluxes, the non-Monin-Obukhov similarity (MOS) based, more simplified algorithms perform better in predicting lake epilimnion temperatures and achieve high convergence in the values of the calibrated parameters. For wind-driven mixing, a two-algorithm strategy considering lake shape and season is suggested with the regular mixing algorithm used for spring and earlier summer and the mixing-enhanced algorithm for summer steady stratification and fall overturn periods. There are no evident differences in the simulated thermocline depths using different light extinction algorithms or the observation. Finally, for lake ice phenology, a constant snow density at around 110 kg m-3 is found to be sufficient for most northern lakes while the Arctic lakes require a higher value. Our study provides highly practical guides for improving 1-D lake models and feasible parameterization strategies to better simulate global lake thermal regimes.

58 GEOSCIENCES↗

DOE OSTI2022

Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach

Here, we investigate the use of orbital-optimized references in conjunction with single-reference coupled-cluster theory with single and double substitutions (CCSD) for the study of core excitations and ionizations of 18 small organic molecules, without the use of response theory or equation-of-motion (EOM) formalisms. Three schemes are employed to successfully address the convergence difficulties associated with the coupled-cluster equations, and the spin contamination resulting from the use of a spin symmetry-broken reference, in the case of excitations. In order to gauge the inherent potential of the methods studied, an effort is made to provide reasonable basis set limit estimates for the transition energies. Overall, we find that the two best-performing schemes studied here for ΔCCSD are capable of predicting excitation and ionization energies with errors comparable to experimental accuracies. The proposed ΔCCSD schemes reduces statistical errors against experimental excitation energies by more than a factor of two when compared to the frozen-core core–valence separated (FC-CVS) EOM-CCSD approach – a successful variant of EOM-CCSD tailored towards core excitations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Unconventional Fractional Phases in Multiband Vortexable Systems

We study topological flat bands with distinct features that deviate from conventional Landau level behavior. We show that even in the ideal quantum geometry limit, moiré flat band systems can exhibit physical phenomena fundamentally different from Landau levels without lattices. In particular, we find new fractional quantum Hall states emerging from multiband vortexable systems, where multiple exactly flat bands appear at the Fermi energy. While the set of bands as a whole exhibits ideal quantum geometry, individual bands separately lose vortexability, and thus making them very different from a stack of Landau levels. At certain filling fractions, we find fractional states whose Hall conductivity deviates from the filling factor. Through careful numerical and analytical studies, we rule out all known mechanisms—such as fractional quantum Hall crystals or separate filling of trivial and topological bands—as possible explanations. Leveraging the exact solvability of vortexable systems, we use analytic Bloch wave functions to uncover the origin of these new fractional states, which arises from the commensurability between the moiré unit cell and the magnetic unit cell of an emergent effective magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Numerical Analysis of High-Order Modes in SRF Resonators for Particle Accelerators

Over the past decades, superconducting technology has rapidly evolved towards high accelerating gradients and low surface resistance, making it possible to operate particle accelerators with high average beam currents and large duty factors. However, RF losses due to coherent excitation of the HOM become the limiting factor for these regimes. Unlike the cavity operating mode, which is tuned separately, the HOM parameters can significantly vary from one cavity to another due to finite mechanical tolerances during the manufacturing process. Thus, it is of utmost importance to know the HOM parameter spread in advance in order to predict unexpected cryogenic losses, overheating of beam line components and maintain stable beam dynamics. In this paper, we present a method for generating cavity geometry with an arbitrary spread of mechanical imperfections and numerically evaluating HOM statistics. Knowing the spread of HOM parameters, we calculated the probability of resonant HOM losses in SRF accelerating cavities used in CW beam current machines such as the PIP-II and LCLS-II linacs, as well as for the SRF crab-cavity for the ILC project. Finally, we present experimental results of HOM spectra measurements in hundreds of 1.3 GHz cavities installed in LCLS-II cryomodules. Studying the effects of HOM excitation results in specifications of the SRF cavity and cryomodule and can significantly impact the efficiency and reliability of the machine operation.

Lunin, Andrei [Fermilab] (ORCID:0000000290096792)↗

NASA NTRS1980

Supercritical time-dependent accretion onto compact objects. I - Neutron stars

The time-dependent flow resulting from spherically symmetric, supercritical accretion onto a nonmagnetic neutron star is computed for accretion rates between 3 and 30. In addition, the fully time-dependent self-consistent set of coupled radiation-hydrodynamic equations governing such flow has been solved. Effects that have not previously been treated are taken into account, including separate energy equations for ions and electrons allowing for nonequilibrium, variable Eddington factors in the radiation transfer to account for anisotropy of the radiation field due to highly spherically extended envelopes, and convection of ions, electrons and photons in the accretion envelope. It is found that supercritical flow, for material falling from a radius of less than 10 to the 10th cm, is characterized by stable accretion with no evidence of stellar wind outflow at any phase of the evolution.

Klein, R. I.↗

NASA NTRS1983

Solar gamma-ray lines

The gamma-ray spectrometer on the Solar Maximum Mission satellite has observed emissions produced by nuclear reactions in over 20 separate solar flares. The observed intensity from different flares ranges over a factor of 100, and the time scale for their production ranges from 10-s pulses to complete events lasting over 1000 s. The emissions include narrow and broadened prompt gamma-ray lines from numerous isotopes from Li-7 to Fe-56 and cover the energy range from 0.431 MeV (Be-7) to 7.12 MeV (O-16). The instrument has also observed emissions at energies greater than 10 MeV from the decay of pi0 mesons, from electron bremsstrahlung, and from the direct observation of greater-than-100-MeV solar neutrons. The intensity, temporal and spectral properties of these emissions are reviewed from the point of view that solar flares represent an astrophysical particle-acceleration site.

Forrest, D. J.↗

NASA NTRS1988

C IV fluxes from the Sun as a star, and the correlation with magnetic flux

A total of 144 C IV wavelength 1548 Solar Maximum Mission (SMM)-UVSP spectroheliograms of solar plages were analyzed, some of which are series of exposures of the same region on the same day. Also analyzed were the C IV wavelength 1551 rasters of plages and C IV wavelength 1548 rasters of the quiet sun. The sample contained data on 17 different plages, observed on 50 different days. The center-to-limb variations of the active regions show that the optical thickness effects in the C IV wavelength 1548 line can be neglected in the conversion from intensity to flux density. As expected for the nearly optically thin situation, the C IV wavelength 1548 line is twice as bright as the C IV 1551 line. The average C IV wavelength 1548 flux density for a quiet region is 2700 ergs/cm/s and, with surprisingly little scatter, 18,000 erg/cm/s for plages. The intensity histograms of rasters obtained at disk center can be separated into characteristic plage and quiet sun contributions with variable relative filling factors. The relationship between the C IV and magnetic flux densities for spatially resolved data is inferred to be almost the same, with only an additional factor of order unity in the constant of proportionality.

Schrijver, C. J.↗

NASA NTRS1994

Effects of biomass burning on summertime nonmethane hydrocarbon concentrations in the Canadian wetlands

Approximately 900 whole air samples were collected and assayed for selected C2-C10 hydrocarbons and seven halocarbons during the 5-week Arctic Boundary Layer Expedition (ABLE) 3B conducted in eastern Canadian wetland areas. In more than half of the 46 vertical profiles flown, enhanced nonmethane hydrocarbon (NMHC) concentrations attributable to plumes from Canadian forest fires were observed. Urban plumes, also enhanced in many NMHCs, were separately identified by their high correlation with elevated levels of perchloroethene. Emission factors relative to ethane were determined for 21 hydrocarbons released from Canadian biomass burning. Using these data for ethane, ethyne, propane, n-butane, and carbon monoxide enhancements from the literature, global emissions of these four NMHCs were estimated. Because of its very short atmospheric lifetime and its below detection limit background mixing ratio, 1,3-butadiene is an excellent indicator of recent combustion. No statistically significant emissions of nitrous oxide, isoprene, or CFC 12 were observed in the biomass-burning plumes encountered during ABLE 3B. The presence of the short-lived biogenically emitted isoprene at altitudes as high as 3000 m implies that mixing within the planetary boundary layer (PBL) was rapid. Although background levels of the longer-lived NMHCs in this Canadian region increase during the fire season, isoprene still dominated local hydroxyl radical photochemistry within the PBL except in the immediate vicinity of active fires. The average biomass-burning emission ratios for hydrocarbons from an active fire sampled within minutes of combustion were, relative to ethane, ethene, 2.45; ethyne 0.57; propane, 0.25; propene, 0.73; propyne, 0.06; n-butane, 0.09; i-butane, 0.01; 1-butene, 0.14; cis-2-butene, 0.02; trans-2-butene, 0.03; i-butylene, 0.07; 1,3-butadiene, 0.12; n-pentane, 0.05; i-pentane, 0.03; 1-pentene, 0.06; n-hexane, 0.05; 1-hexene, 0.07; benzene, 0.37; toluene, 0.16.

Blake, D. R.↗

NASA NTRS2001

Novel High Efficient Organic Photovoltaic Materials

In man's mission to the outer space or a remote site, the most abundant, renewable, nonpolluting, and unlimited external energy source is light. Photovoltaic (PV) materials can convert light into electrical power. In order to generate appreciable electrical power in space or on the Earth, it is necessary to collect sunlight from large areas due to the low density of sunlight, and this would be very costly using current commercially available inorganic solar cells. Future organic or polymer based solar cells seemed very attractive due to several reasons. These include lightweight, flexible shape, ultra-fast optoelectronic response time (this also makes organic PV materials attractive for developing ultra-fast photo detectors), tunability of energy band-gaps via molecular design, versatile materials synthesis and device fabrication schemes, and much lower cost on large-scale industrial production. It has been predicted that nano-phase separated block copolymer systems containing electron rich donor blocks and electron deficient acceptor blocks will facilitate the charge separation and migration due to improved electronic ultrastructure and morphology in comparison to current polymer composite photovoltaic system. This presentation will describe our recent progress in the design, synthesis and characterization of a novel donor-bridge-acceptor block copolymer system for potential high-efficient organic optoelectronic applications. Specifically, the donor block contains an electron donating alkyloxy derivatized polyphenylenevinylene, the acceptor block contains an electron withdrawing alkyl-sulfone derivatized polyphenylenevinylene, and the bridge block contains an electronically neutral non-conjugated aliphatic hydrocarbon chain. The key synthetic strategy includes the synthesis of each individual block first, then couple the blocks together. While the donor block stabilizes the holes, the acceptor block stabilizes the electrons. The bridge block is designed to hinder the electron-hole recombination. Thus, improved charge separation is expected. In addition, charge migration will also be facilitated due to the expected nano-phase separated and highly ordered block copolymer ultrastructural. The combination of all these factors will result in significant overall enhancement of photovoltaic power conversion efficiency.

Sun, Sam↗

NASA NTRS2002

Regulation of root hair initiation and expansin gene expression in Arabidopsis

The expression of two Arabidopsis expansin genes (AtEXP7 and AtEXP18) is tightly linked to root hair initiation; thus, the regulation of these genes was studied to elucidate how developmental, hormonal, and environmental factors orchestrate root hair formation. Exogenous ethylene and auxin, as well as separation of the root from the medium, stimulated root hair formation and the expression of these expansin genes. The effects of exogenous auxin and root separation on root hair formation required the ethylene signaling pathway. By contrast, blocking the endogenous ethylene pathway, either by genetic mutations or by a chemical inhibitor, did not affect normal root hair formation and expansin gene expression. These results indicate that the normal developmental pathway for root hair formation (i.e., not induced by external stimuli) is independent of the ethylene pathway. Promoter analyses of the expansin genes show that the same promoter elements that determine cell specificity also determine inducibility by ethylene, auxin, and root separation. Our study suggests that two distinctive signaling pathways, one developmental and the other environmental/hormonal, converge to modulate the initiation of the root hair and the expression of its specific expansin gene set.

NASA Discipline Plant Biology↗

NASA NTRS2004

Transforming the NAS: The Next Generation Air Traffic Control System

The next-generation air traffic control system must be designed to safely and efficiently accommodate the large growth of traffic expected in the near future. It should be sufficiently scalable to contend with the factor of 2 or more increase in demand expected by the year 2020. Analysis has shown that the current method of controlling air traffic cannot be scaled up to provide such levels of capacity. Therefore, to achieve a large increase in capacity while also giving pilots increased freedom to optimize their flight trajectories requires a fundamental change in the way air traffic is controlled. The key to achieving a factor of 2 or more increase in airspace capacity is to automate separation monitoring and control and to use an air-ground data link to send trajectories and clearances directly between ground-based and airborne systems. In addition to increasing capacity and offering greater flexibility in the selection of trajectories, this approach also has the potential to increase safety by reducing controller and pilot errors that occur in routine monitoring and voice communication tasks.

Erzberger, Heinz↗

NASA NTRS2004

Launch Vehicle Propulsion Parameter Design Multiple Selection Criteria

The optimization tool described herein addresses and emphasizes the use of computer tools to model a system and focuses on a concept development approach for a liquid hydrogen/liquid oxygen single-stage-to-orbit system, but more particularly the development of the optimized system using new techniques. This methodology uses new and innovative tools to run Monte Carlo simulations, genetic algorithm solvers, and statistical models in order to optimize a design concept. The concept launch vehicle and propulsion system were modeled and optimized to determine the best design for weight and cost by varying design and technology parameters. Uncertainty levels were applied using Monte Carlo Simulations and the model output was compared to the National Aeronautics and Space Administration Space Shuttle Main Engine. Several key conclusions are summarized here for the model results. First, the Gross Liftoff Weight and Dry Weight were 67% higher for the design case for minimization of Design, Development, Test and Evaluation cost when compared to the weights determined by the minimization of Gross Liftoff Weight case. In turn, the Design, Development, Test and Evaluation cost was 53% higher for optimized Gross Liftoff Weight case when compared to the cost determined by case for minimization of Design, Development, Test and Evaluation cost. Therefore, a 53% increase in Design, Development, Test and Evaluation cost results in a 67% reduction in Gross Liftoff Weight. Secondly, the tool outputs define the sensitivity of propulsion parameters, technology and cost factors and how these parameters differ when cost and weight are optimized separately. A key finding was that for a Space Shuttle Main Engine thrust level the oxidizer/fuel ratio of 6.6 resulted in the lowest Gross Liftoff Weight rather than at 5.2 for the maximum specific impulse, demonstrating the relationships between specific impulse, engine weight, tank volume and tank weight. Lastly, the optimum chamber pressure for Gross Liftoff Weight minimization was 2713 pounds per square inch as compared to 3162 for the Design, Development, Test and Evaluation cost optimization case. This chamber pressure range is close to 3000 pounds per square inch for the Space Shuttle Main Engine.

Shelton, Joey Dewayne↗

NASA NTRSDate not supplied

Evaluation of Performance, Fatigue and Workload During Real-time, Reactive Telerobotic Mission Control Operations

Real-time, reactive telerobotic mission control operations require personnel to actively operate and manage remotely controlled vehicles or robots in real time. Due to the physical separation of the vehicle from the operator, such operations present many additional factors that can influence fatigue (i.e., degraded mental performance) and workload (i.e., mental and physical cost of task requirements), making it difficult to assess how long an individual can safely and accurately conduct operations. The upcoming Volatiles Investigating Polar Exploration Rover (VIPER) mission involves remotely controlling a lunar vehicle from an Earth-based mission control station. METHODS: In order to determine how long personnel could successfully maintain alertness and performance while operating a rover, we studied seven trained operators (i.e., 5 drivers, 2 real-time scientists) in a simulated mission control environment. We further assessed workload in order to determine whether perceived workload levels would change relative to time on task and by time of day. Operators completed two five-hour simulations in a randomized order, beginning at noon and at midnight. Performance was evaluated every 30 minutes using the psychomotor vigilance task (PVT), Karolinska Sleepiness Scale (KSS), and NASA Task Load Index (NASA-TLX). RESULTS: On average, participants rated themselves as sleepier (5.06 ± 2.28) on the night drives compared to the day drives (3.12 ± 1.44; P < .0001). Workload was rated higher during the day drives (37.93 ± 20.09) compared to night (32.09 ± 21.74; P < .01). Lastly, participants had no change in average reaction time between the two drives. CONCLUSIONS: From the analysis, we observed performance began to degrade after approximately three hours of driving. Our findings suggest that rotating drivers at least every three hours would be prudent to allow for breaks, and to minimize performance degradation, particularly during night shifts.

fatigue↗