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At least 1,603 records · Page 89

Jurassic Diabase from Leesburg, VA: A Proposed Lunar Simulant

A study of future lunar seismology and heat flow is being carried out as part of the NASA Lunar Sortie Science Program [1].This study will include new lunar drilling techniques, using a regolith simulant, for emplacement of instruments. Previous lunar simulants, such as JSC-I and MLS-l, were not available when the study began, so a local simulant source was required. Diabase from a quarry at Leesburg, Virginia, was obtained from the Luck Stone Corporation. We report here initial results of a petrographic examination of this rock, GSC-1 henceforth.

Taylor, P. T.↗

Wing galaxies: A formation mechanism of the clumpy irregular galaxy Markarian 297

In order to contribute to an understanding of collision-induced starburst activities, the authors present a detailed case study on the starburst galaxy Markarian 297 (= NGC 6052 = Arp 209; hereafter Mrk 297). This galaxy is classified as a clumpy irregular galaxy (CIG) according to its morphological properties (cf. Heidmann, 1987). Two major clumps and many small clumps are observed in the entire region of Mrk 297 (Hecquet, Coupinot, and Maucherat 1987). The overall morphology of Mrk 297 is highly chaotic and thus it seems difficult to determine possible orbits of galaxy-galaxy collision. However, the authors have serendipitously found a possible orbit during a course of numerical simulations for a radial-penetration collision between galaxies. The radial-penetration collision means that an intruder penetrates a target galaxy radially passing by its nucleus. This kind of collision is known to explain a formation mechanism of ripples around disk galaxies (Wallin and Struck-Marcell 1988). Here, the authors show that the radial-penetration collision between galaxies successfully explains both overall morphological and kinematical properties of Mrk 297. The authors made two kinds of numerical simulations for Mrk 297. One is N-body (1x10(exp 4) particles) simulations in which effects of self gravity of the stellar disk are taken into account. These simulations are used to study detailed morphological feature of Mrk 297. The response of gas clouds are also investigated in order to estimate star formation rates in such collisions. The other is test-particle simulations, which are utilized to obtain a rough picture of Mrk 297 and to analyze the velocity field of Mrk 297. The techniques of the numerical simulations are the same as those in Noguchi (1988) and Noguchi and Ishibashi (1986). In the present model, an intruding galaxy with the same mass of a target galaxy moves on a rectilinear orbit which passes the center of the target.

Taniguchi, Yoshiaki↗

Bayesian merging of numerical modeling and remote sensing for saltwater intrusion quantification in the Vietnamese Mekong Delta

Saltwater intrusion has become one of the most concerning issues in the Vietnamese Mekong Delta (VMD) due to its increasing impacts on agriculture and food security of Vietnam. Reliable estimation of salinity plays a crucial role to mitigate the impacts of saltwater intrusion. Here, this study developed a hybrid technique that merges satellite imagery with numerical simulations to improve the estimation of salinity in the VMD. The salinity derived from Landsat images and by numerical simulations was fused using the Bayesian inference technique. The results indicate that our technique significantly reduces the uncertainties and improves the accuracy of salinity estimates. The Nash–Sutcliffe coefficient is 0.74, which is much higher than that of numerical simulation (0.63) and Landsat estimation (0.6). The correlation coefficient between the ensemble and measured salinity is relatively high (0.88). The variance of the ensemble salinity errors (5.0 ppt 2 ) is lower than that of Landsat estimation (10.4 ppt 2 ) and numerical simulations (9.6 ppt 2 ). The proposed approach shows a great potential to combine multiple data sources of a variable of interest to improve its accuracy and reliability wherever these data are available.

54 ENVIRONMENTAL SCIENCES↗

Flight test experience with high-alpha control system techniques on the F-14 airplane

Improved handling qualities of fighter aircraft at high angles of attack can be provided by various stability and control augmentation techniques. NASA and the U.S. Navy are conducting a joint flight demonstration of these techniques on an F-14 airplane. This paper reports on the flight test experience with a newly designed lateral-directional control system which suppresses such high angle of attack handling qualities problems as roll reversal, wing rock, and directional divergence while simultaneously improving departure/spin resistance. The technique of integrating a piloted simulation into the flight program was used extensively in this program. This technique had not been applied previously to high angle of attack testing and required the development of a valid model to simulate the test airplane at extremely high angles of attack.

Gera, J.↗

Determining compressor-inlet airflow in the compact multimission aircraft propulsion simulators in wind-tunnel applications

Test techniques are being developed to use the Compact Multimission Aircraft Propulsion Simulator (CMAPS) in wind-tunnel tests. The CMAPS allows simultaneous simulation of inlet and exhaust flow fields. Static tests have been conducted to acquire CMAPS performance data and to evaluate four methods of determining compressor inlet airflow during wind-tunnel tests. The first method measures airflow at the compressor face; the second measures airflow in the compressor discharge duct; the third deduces the compressor airflow from the calibrated nozzle, turbine supply, and turbine bleed airflows; and the fourth correlates compressor airflow with the mixer pressure. Test results and the advantages, disadvantages, and expected accuracy of each method are discussed.

Smith, S. C.↗

User's guide to the Reliability Estimation System Testbed (REST)

The Reliability Estimation System Testbed is an X-window based reliability modeling tool that was created to explore the use of the Reliability Modeling Language (RML). RML was defined to support several reliability analysis techniques including modularization, graphical representation, Failure Mode Effects Simulation (FMES), and parallel processing. These techniques are most useful in modeling large systems. Using modularization, an analyst can create reliability models for individual system components. The modules can be tested separately and then combined to compute the total system reliability. Because a one-to-one relationship can be established between system components and the reliability modules, a graphical user interface may be used to describe the system model. RML was designed to permit message passing between modules. This feature enables reliability modeling based on a run time simulation of the system wide effects of a component's failure modes. The use of failure modes effects simulation enhances the analyst's ability to correctly express system behavior when using the modularization approach to reliability modeling. To alleviate the computation bottleneck often found in large reliability models, REST was designed to take advantage of parallel processing on hypercube processors.

Nicol, David M.↗

Energy Efficient High-Pressure Turbine Leakage Technology Report

The leakage test program was one of such supporting technology programs structured to provide guidance to the Energy Efficient Engine High Pressure Turbine Component Design Effort. Leakage reduction techniques were identified and evaluated. Test models were used to simulate component leak paths and to evaluate leakage reduction techniques. These models simulated the blade/disk attachment, the vane inner platform attachment, and the vane outer platform attachment combined with the blade outer airseal. Disk blade attachment testing indicated that leakage in this area could be reduced to very low levels by paying careful attention to the tolerances along the contact surface between the blade vibration damper and the blade platform contact surface. The aim of feather seal testing was to achieve a goal for an effective leakage gap of one mil (.001 inch) per inch of feather seal length. Results indicated that effective gaps even below the goal level were achievable by (1) maintaining close tolerances between feather seals and their slots to minimize end gaps and limit seal rotation, (2) avoiding feather seal overlap, and (3) minimizing feather seal intersections. W seals were shown to be effective leakage control devices. Wire rope, in its present state of development, was shown not to be an effective sealing concept for application to the component design.

Gardner, W. B.↗

Neutrons in Structural Biology: Challenges and Opportunities (Workshop Report)

Gaining a thorough understanding of biological systems requires building our knowledge about biological processes from the level of atoms and electrons, and up to whole organisms. Such comprehensive knowledge will allow for a predictive understanding of complex biological systems behavior. It will guide us in the design and development of novel therapeutics and vaccines to tackle existing health threats and to prepare for future pandemics, and it will provide information necessary to create new biomaterials and bio-inspired technologies through manipulation of biological macromolecules, their assemblies, single cells and even microorganisms. Reaching these goals will require a synergistic combination of multiple experimental techniques with molecular calculations and predictive simulations, and the design and development of new techniques and capabilities that bridge current knowledge and technology gaps. Neutron scattering provides unique information about the biomacromolecular structure and function and can play a major role in achieving these goals. A workshop was held to engage the scientific community in identifying pressing challenges in biochemistry, structural biology, enzymology and structure-guided drug design not solved with the current neutron scattering technologies or utilizing other structural biology techniques such as X-ray crystallography, NMR, and cryo-EM. The workshop brought together structural biology, biochemistry and computational experts, as well as early career researchers and students, creating a forum for discussing scientific advancement and collaboration. The workshop included a one-day satellite training workshop where graduate students and postdoctoral researchers were educated in the application of neutron crystallography and small-angle scattering in structural biology. Furthermore, the Instrument Scientific Advisory Board (ISAB) for the development of a macromolecular neutron diffractometer at ORNL’s Second Target Station was introduced at the workshop. The major outcome was that neutrons can provide atomic-level understanding of biomacromolecular structure, function and dynamics which is of paramount importance for addressing the identified challenges. Neutron crystallography, in particular, can resolve long-standing biochemical issues regarding enzyme function by delineating the underlying chemistry and can have a major impact on the design of small-molecule therapeutics, especially in combination with molecular computation (quantum chemistry and molecular dynamics simulations) and the emerging artificial intelligence (AI)-assisted drug design technologies. The unique properties of neutrons, including their high sensitivity to hydrogen and their non-destructive nature, make them ideal probes of biological matter. There is a palpable need in the scientific community to expand and enhance the impact of neutron sciences on biology. Neutron crystallography is the only structural biology method capable of determining positions of all hydrogen atoms in proteins, nucleic acids and their complexes at near-physiological temperatures and of unstable species at cryogenic temperatures. Moreover, neutron analysis is non-ionizing, non-destructive and does not perturb the structure or redox chemistry of active site metal centers and clusters in proteins, which can be invaluable for studying radiation-sensitive metalloprotein complexes. Further, neutron energies used in scattering applications are similar to atomic motions, permitting neutron spectroscopies to characterize the dynamics of biomacromolecules on the picosecond to microsecond timescales. The different sensitivities of neutrons to protium (H) and deuterium (D) isotopes of hydrogen allow enhanced visibility of specific parts of biological complexes through isotopic labeling. The impact of neutrons will be most powerful when neutron scattering is combined with complementary experimental techniques that use photons and electrons, and with high-performance computing. The interconnection and mutuality of the experimental and theoretical capabilities will drive discoveries in biological and health sciences to generate more complete picture of complex biological systems. The major limitation in the field of biological neutron crystallography has been signal-to-noise, demanding large samples that are difficult to produce for the majority of biomacromolecules and limiting the applicability of this technique in biological sciences. A neutron crystallography instrument at the Second Target Station will revolutionize biological science with neutrons by engaging a large scientific community of structural biologists, enabling successful neutron diffraction experiments from radically smaller biomacromolecular crystals, resolving unanswered biochemical questions, and meaningfully contributing to rational drug design. The meeting highlighted 10 grand challenges that will be addressed with this advanced capability over the next decade and beyond, and the recommendations required to help address them are given below.

59 BASIC BIOLOGICAL SCIENCES↗

Ideal conductor/dielectric model (ICDM): A generalized technique to correct for finite-size effects in molecular simulations of hindered ion transport

Molecular simulations serve as indispensable tools for investigating the kinetics and elucidating the mechanism of hindered ion transport across nanoporous membranes. In particular, recent advancements in advanced sampling techniques have made it possible to access translocation timescales spanning several orders of magnitude. In our prior study [Shoemaker et al., J. Chem. Theory Comput. 18, 7142 (2022)], we identified significant finite size artifacts in simulations of pressure-driven hindered ion transport through nanoporous graphitic membranes. We introduced the ideal conductor model, which effectively corrects for such artifacts by assuming the feed to be an ideal conductor. In the present work, we introduce the ideal conductor dielectric model (Icdm), a generalization of our earlier model, which accounts for the dielectric properties of both the membrane and the filtrate. Using the Icdm model substantially enhances the agreement among corrected free energy profiles obtained from systems of varying sizes, with notable improvements observed in regions proximate to the pore exit. Moreover, the model has the capability to consider secondary ion passage events, including the transport of a co-ion subsequent to the traversal of a counter-ion, a feature that is absent in our original model. We also investigate the sensitivity of the new model to various implementation details. The Icdm model offers a universally applicable framework for addressing finite size artifacts in molecular simulations of ion transport. It stands as a significant advancement in our quest to use molecular simulations to comprehensively understand and manipulate ion transport processes through nanoporous membranes.

Chemistry↗

Smart Grid R&D SSM KIER FY17 Report.

This report summarizes collaborative efforts between Secure Scalable Microgrid and Korean Institute of Energy Research team members . The efforts aim to advance microgrid research and development towards the efficient utilization of networked microgrids . The collaboration resulted in the identification of experimental and real time simulation capabilities that may be leveraged for networked microgrids research, development, and demonstration . Additional research was performed to support the demonstration of control techniques within real time simulation and with hardware in the loop for DC microgrids .

24 POWER TRANSMISSION AND DISTRIBUTION↗

Estimation of Body Fat Percentage for Clinical Pharmacokinetic Studies in Children

Obesity is a prevalent childhood condition and the degree of adiposity appears likely to be an important covariate in the pharmacokinetics (PKs) of many drugs. We undertook these studies to facilitate the evaluation and, where appropriate, quantification of the covariate effect of body fat percentage (BF%) on PK parameters in children. We examined two large databases to determine the values and variabilities of BF% in children with healthy body weights and in those with obesity, comparing the accuracy and precision of BF% estimation by both clinical methods and demographically derived techniques. Additionally, we conducted simulation studies to evaluate the utility of the several methods for application in clinical trials. BF% was correlated with body mass index (BMI), but was highly variable among both children with healthy body weights and those with obesity. Bio‐impedance and several demographically derived techniques produced mean estimates of BF% that differed from dual x‐ray absorptiometry by < 1% (accuracy) and a SD of 5% or less (precision). Simulation studies confirmed that when the differences in precision among the several methods were small compared with unexplained between‐subject variability of a PK parameter, the techniques were of similar value in assessing the contribution of BF%, if any, as a covariate for that PK parameter. The combination of sex and obesity stage explained 68% of the variance of BF% with BMI. The estimation of BF% from sex and obesity stage can routinely be applied to PK clinical trials to evaluate the contribution of BF% as a potential covariate.

Green, Thomas P.↗

Observing Quantum Measurement Collapse as a Learnability Phase Transition

During a quantum measurement, superpositions of states with different observable properties probabilistically collapse into one with a sharp value of the measured observable. In macroscopic quantum systems, this collapse arises via a continuous measurement-induced phase transition (MIPT) at a critical value of the strength of interaction with the measurement apparatus. MIPTs lie outside established paradigms for equilibrium or nonequilibrium critical phenomena and delineate distinct, stable dynamical and computational phases of matter. Quantum computers enable programmable simulation of the interaction of a measurement apparatus with a dynamical quantum system, to explore MIPT phenomena over a range of system sizes while retaining quantum coherence. Yet, existing experimental protocols rely on fundamentally nonscalable postselection techniques or direct classical simulation of quantum circuits. Here, we report the scalable observation of finite-size scaling evidence for an observable-sharpening MIPT in monitored quantum circuits in a chain of Yb + 171 ions in Quantinuum’s H1-1 trapped-ion quantum processor. By leveraging an equivalent description as a statistical physics problem, we implement scalable classical algorithms to infer the value of the measured observable from a single experimental shot. This technique enables a truly scalable protocol to observe observable-sharpening MIPTs in generic classes of circuits that cannot be directly classically simulated and also provides enhanced means to detect and suppress errors in the quantum simulation. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evaluation of SLAR and simulated thematic mapper MSS data for forest cover mapping using computer-aided analysis techniques

Kershaw County, South Carolina was selected as the study site for analyzing simulated thematic mapper MSS data and dual-polarized X-band synthetic aperture radar (SAR) data. The impact of the improved spatial and spectral characteristics of the LANDSAT D thematic mapper data on computer aided analysis for forest cover type mapping was examined as well as the value of synthetic aperture radar data for differentiating forest and other cover types. The utility of pattern recognition techniques for analyzing SAR data was assessed. Topics covered include: (1) collection and of TMS and reference data; (2) reformatting, geometric and radiometric rectification, and spatial resolution degradation of TMS data; (3) development of training statistics and test data sets; (4) evaluation of different numbers and combinations of wavelength bands on classification performance; (5) comparison among three classification algorithms; and (6) the effectiveness of the principal component transformation in data analysis. The collection, digitization, reformatting, and geometric adjustment of SAR data are also discussed. Image interpretation results and classification results are presented.

Hoffer, R. M.↗

ARCANE Reweighting Demo

ARCANE reweighting is a Monte Carlo technique for tackling the negative weights problem in simulations in high energy physics. The technique works by redistributing (via an additive reweighting) the contributions of different pathways within an event generator that lead to the same final event. The technique is exact and does not introduce any biases in the distributions of physical observables. This repository contains the code and data associated with a demonstration of ARCANE reweighting, for the generation of $e^+ e^- \longrightarrow q\bar{q} + 1\,\mathrm{jet}$ events at next-to-leading-order accuracy in perturbation theory. ARCANE reweighting was shown to almost completely eliminate the negative weights problem for this process.

Shyamsundar, Prasanth [Fermi National Accelerator ↗

A SINDA modeling technique for pumped two-phase spacecraft cooling systems

The purpose of this paper is to present a modeling technique that has proven successful in simulating pumped, two-phase cooling systems. The technique uses the standard SINDA thermal-analysis program and thereby extends the capabilities of SINDA to complex, active spacecraft thermal-control systems. This paper provides sufficient detail that a current SINDA user will be able to apply the technique by reference to this paper alone.

Ollendorf, S.↗

Computational technology for flight vehicles; Proceedings of the Symposium, Washington, DC, Nov. 5-7, 1990

Recent advances in computational fluid mechanics are discussed in reviews and reports. Sections are devoted to (1) the modeling of local phenomena and edge effects in solids, (2) stochastic modeling and simulation of fracture toughness, and (3) partitioning strategy and new finite elements. Particular attention is given to global and local finite-element/spectral-boundary-element techniques for failure analysis, simulations of microfracture in metal-matrix composites, fatigue analysis of cracked anisotropic plates under stochastic loading, mathematical modeling for the analysis of nonlinear aircraft dynamics, physical and mathematical modeling of wave propagation in the Ariane 5 VEB structure, partitioning based on symmetry transformations, an FEM approach to adaptive reliability assurance, and time-domain FEMs for the large rotational dynamics of multibody systems.

Noor, Ahmed K.↗

GPU age-aware scheduling to improve the reliability of leadership jobs on Titan

In 2015, OLCF's Titan supercomputer experienced a significant increase in GPU related job failures. The impact on jobs was serious and OLCF decided to replace ~50% of the GPUs. Unfortunately, jobs using more than 20% of the machine (i.e., leadership jobs) continued to encounter higher levels of application failures. These jobs contained significant amounts of both the low-failure rate and high-failure rate GPUs. The impacts of these failures are more adversely felt by leadership jobs due to longer wait times, runtimes, and higher charge rates. In this work, we have designed techniques to increase the use of low-failure GPUs in leadership jobs through targeted resource allocation. We have employed two complementary techniques, updating both the system ordering and the allocation mechanisms. Using simulation, the application of these techniques resulted in a 33% increase in low-failure GPU hours being assigned to leadership jobs. Our GPU Age-Aware Scheduling has been used in production on Titan since July of 2017.

Zimmer, Christopher↗

Wave spectra of a shoaling wave field: A comparison of experimental and simulated results

Wave profile measurements made from an aircraft crossing the North Carolina continental shelf after passage of Tropical Storm Amy in 1975 are used to compute a series of wave energy spectra for comparison with simulated spectra. Results indicate that the observed wave field experiences refraction and shoaling effects causing statistically significant changes in the spectral density levels. A modeling technique is used to simulate the spectral density levels. Total energy levels of the simulated spectra are within 20 percent of those of the observed wave field. The results represent a successful attempt to theoretically simulate, at oceanic scales, the decay of a wave field which contains significant wave energies from deepwater through shoaling conditions.

Morris, W. D.↗