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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 847 records · Page 47

End-to-end Provenance Traceability and Reproducibility Through "Palletized'' Simulation Data

Trusting simulation output is crucial for Sandia's mission objectives. We rely on these simulations to perform our high-consequence mission tasks given our treaty obligations. Other science and modelling needs, while they may not be high-consequence, still require the strongest levels of trust to enable using the result as the foundation for both practical applications and future research. To this end, the computing community has developed work- flow and provenance systems to aid in both automating simulation and modelling execution, but to also aid in determining exactly how was some output created so that conclusions can be drawn from the data. Current approaches for workflows and provenance systems are all at the user level and have little to no system level support making them fragile, difficult to use, and incomplete solutions. The introduction of container technology is a first step towards encapsulating and tracking artifacts used in creating data and resulting insights, but their current implementation is focused solely on making it easy to deploy an application in an isolated "sandbox" and maintaining a strictly read-only mode to avoid any potential changes to the application. All storage activities are still using the system-level shared storage. This project was an initial exploration into extending the container concept to also include storage and to use writable containers, auto generated by the system, as a way to link the contained data back to the simulation and input deck used to create it.

97 MATHEMATICS AND COMPUTING↗

Cryogenic Plant Integration for the Colossus milli-Kelvin Platform at Fermilab

The Colossus platform at Fermilab will be the largest and most powerful 3He/4He dilution-cooled cryogenic system constructed to-date. Perhaps its primary innovation will be in the integration of a liquid helium cryogenics plant to cool the stages typically cooled by mechanical cryocoolers in commercially available cryogen-free dilution refrigerators. This design shift carries with it important implications for the future of cryogenics associated with quantum computing due to the inherently greater efficiencies of helium cryogenic plants when compared to the use of multitude of independent mechanical cryocoolers. Construction of Colossus is expected to begin in 2023 with a target of commencing operations in 2025.

Tatkowski, G.↗

Compiling Quantum Circuits for Dynamically Field-Programmable Neutral Atoms Array Processors

Dynamically field-programmable qubit arrays (DPQA) have recently emerged as a promising platform for quantum information processing. In DPQA, atomic qubits are selectively loaded into arrays of optical traps that can be reconfigured during the computation itself. Leveraging qubit transport and parallel, entangling quantum operations, different pairs of qubits, even those initially far away, can be entangled at different stages of the quantum program execution. Such reconfigurability and non-local connectivity present new challenges for compilation, especially in the layout synthesis step which places and routes the qubits and schedules the gates. In this paper, we consider a DPQA architecture that contains multiple arrays and supports 2D array movements, representing cutting-edge experimental platforms. Within this architecture, we discretize the state space and formulate layout synthesis as a satisfiability modulo theories problem, which can be solved by existing solvers optimally in terms of circuit depth. For a set of benchmark circuits generated by random graphs with complex connectivities, our compiler OLSQ-DPQA reduces the number of two-qubit entangling gates on small problem instances by 1.7x compared to optimal compilation results on a fixed planar architecture. To further improve scalability and practicality of the method, we introduce a greedy heuristic inspired by the iterative peeling approach in classical integrated circuit routing. Using a hybrid approach that combined the greedy and optimal methods, we demonstrate that our DPQA-based compiled circuits feature reduced scaling overhead compared to a grid fixed architecture, resulting in 5.1X less two-qubit gates for 90 qubit quantum circuits. These methods enable programmable, complex quantum circuits with neutral atom quantum computers, as well as informing both future compilers and future hardware choices.

Physics↗

A Deep Learning Modeling Framework to Capture Mixing Patterns in Reactive-Transport Systems

Prediction and control of chemical mixing are vital for many scientific areas such as subsurface reactive transport, climate modeling, combustion, epidemiology, and pharmacology. Due to the complex nature of mixing in heterogeneous and anisotropic media, the mathematical models related to this phenomenon are not analytically tractable. Numerical simulations often provide a viable route to predict chemical mixing accurately. However, contemporary modeling approaches for mixing cannot utilize available spatial-temporal data to improve the accuracy of the future prediction and can be compute-intensive, especially when the spatial domain is large and for long-term temporal predictions. To address this knowledge gap, in this work we will present in this paper a deep learning (DL) modeling framework applied to predict the progress of chemical mixing under fast bimolecular reactions. This framework uses convolutional neural networks (CNN) for capturing spatial patterns and long short-term memory (LSTM) networks for forecasting temporal variations in mixing. By careful design of the framework—placement of non-negative constraint on the weights of the CNN and the selection of activation function, the framework ensures non-negativity of the chemical species at all spatial points and for all times. Our DL-based framework is fast, accurate, and requires minimal data for training. The time needed to obtain a forecast using the model is a fraction (≈ O(-6)) of the time needed to obtain the result using a high-fidelity simulation. To achieve an error of 10% (measured using the infinity norm) for capturing local-scale mixing features such as interfacial mixing, only 24% to 32% of the sequence data for model training is required. To achieve the same level of accuracy for capturing global-scale mixing features, the sequence data required for model training is 64% to 70% of the total spatial-temporal data. Hence, the proposed approach—a fast and accurate way to forecast long-time spatial-temporal mixing patterns in heterogeneous and anisotropic media—will be a valuable tool for modeling reactive-transport in a wide range of applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

ARCANE Reweighting: A Monte Carlo Technique to Tackle the Negative Weights Problem in Collider Event Generation

Negatively weighted events, which appear in the Monte Carlo (MC) simulation of particle collisions, significantly increases the computational resource requirements of current and future collider experiments. This paper introduces and theoretically discusses an MC technique called ARCANE reweighting for reducing or eliminating negatively weighted events. 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. A companion paper demonstrates the technique for a physics example.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The automation of the Wisconsin echelle spectrograph.

The Wisconsin echelle spectrograph has been placed under computer control. The early operating system and techniques are discussed, as is the automatic data handling afforded by the computer. Some results are shown and future directions are pointed out.

Mcnall, J. F.↗

Modeling and analysis of power processing systems: Feasibility investigation and formulation of a methodology

A review is given of future power processing systems planned for the next 20 years, and the state-of-the-art of power processing design modeling and analysis techniques used to optimize power processing systems. A methodology of modeling and analysis of power processing equipment and systems has been formulated to fulfill future tradeoff studies and optimization requirements. Computer techniques were applied to simulate power processor performance and to optimize the design of power processing equipment. A program plan to systematically develop and apply the tools for power processing systems modeling and analysis is presented so that meaningful results can be obtained each year to aid the power processing system engineer and power processing equipment circuit designers in their conceptual and detail design and analysis tasks.

Biess, J. J.↗

Research on regional numerical weather prediction

Extension of the predictive power of dynamic weather forecasting to scales below the conventional synoptic or cyclonic scales in the near future is assessed. Lower costs per computation, more powerful computers, and a 100 km mesh over the North American area (with coarser mesh extending beyond it) are noted at present. Doubling the resolution even locally (to 50 km mesh) would entail a 16-fold increase in costs (including vertical resolution and halving the time interval), and constraints on domain size and length of forecast. Boundary conditions would be provided by the surrounding 100 km mesh, and time-varying lateral boundary conditions can be considered to handle moving phenomena. More physical processes to treat, more efficient numerical techniques, and faster computers (improved software and hardware) backing up satellite and radar data could produce further improvements in forecasting in the 1980s. Boundary layer modeling, initialization techniques, and quantitative precipitation forecasting are singled out among key tasks.

Kreitzberg, C. W.↗

Automating the Analytical Laboratories Section, Lewis Research Center, National Aeronautics and Space Administration: A feasibility study

The feasibility of computerized automation of the Analytical Laboratories Section at NASA's Lewis Research Center was considered. Since that laboratory's duties are not routine, the automation goals were set with that in mind. Four instruments were selected as the most likely automation candidates: an atomic absorption spectrophotometer, an emission spectrometer, an X-ray fluorescence spectrometer, and an X-ray diffraction unit. Two options for computer automation were described: a time-shared central computer and a system with microcomputers for each instrument connected to a central computer. A third option, presented for future planning, expands the microcomputer version. Costs and benefits for each option were considered. It was concluded that the microcomputer version best fits the goals and duties of the laboratory and that such an automted system is needed to meet the laboratory's future requirements.

Boyle, W. G.↗

Life prediction modeling based on cyclic damage accumulation

A high temperature, low cycle fatigue life prediction method was developed. This method, Cyclic Damage Accumulation (CDA), was developed for use in predicting the crack initiation lifetime of gas turbine engine materials, where initiation was defined as a 0.030 inch surface length crack. A principal engineering feature of the CDA method is the minimum data base required for implementation. Model constants can be evaluated through a few simple specimen tests such as monotonic loading and rapic cycle fatigue. The method was expanded to account for the effects on creep-fatigue life of complex loadings such as thermomechanical fatigue, hold periods, waveshapes, mean stresses, multiaxiality, cumulative damage, coatings, and environmental attack. A significant data base was generated on the behavior of the cast nickel-base superalloy B1900+Hf, including hundreds of specimen tests under such loading conditions. This information is being used to refine and extend the CDA life prediction model, which is now nearing completion. The model is also being verified using additional specimen tests on wrought INCO 718, and the final version of the model is expected to be adaptable to most any high-temperature alloy. The model is currently available in the form of equations and related constants. A proposed contract addition will make the model available in the near future in the form of a computer code to potential users.

Nelson, Richard S.↗

Report on the 2-D Model Intercomparison Workshop held January 11-16, 1987 in Fort Myers Beach, Florida, chapter 2

In the attempts to understand the processes which affect ozone in the stratosphere, and to predict future ozone levels, a variety of computer models were developed and employed. To oversimplify somewhat, the models range from 1-D models with intricately detailed photochemistry but only the crudest representation of transport, to 3-D general circulation models with intricately detailed dynamics and no photochemistry at all. Each of these has its appropriate uses. It was felt that there was much to be gained from intermediate models incorporating an extensive treatment of photochemistry with a dynamical framework which at least recognizes that atmospheric motions are advective as well as diffusive, and that both chemistry and dynamics are subject to latitudinal and seasonal variations. Thus the 2-D, zonally averaged models have begun to play a larger role in the last seven years, both in attempting to understand observed distributions of trace species and in attempting to assess the probable effects of antropogenic perturbations. There are many choices to be made in developing the model. It was the purpose of the 2-D model Intercomparison Workshop to permit discussion of the choices made and the behavior of the resulting models. The goal was not to identify a best set of choices, but rather to identify areas in which the models are sensitive to the choices made, and to develop a sense of where these models as a class do well or poorly in simulating the observed atmosphere.

Guthrie, Paul D.↗

OSI in the NASA science internet: An analysis

The Open Systems Interconnection (OSI) protocol suite is a result of a world-wide effort to develop international standards for networking. OSI is formalized through the International Organization for Standardization (ISO) and the International Electrotechnical Commission (IEC). The goal of OSI is to provide interoperability between network products without relying on one particular vendor, and to do so on a multinational basis. The National Institute for Standards and Technology (NIST) has developed a Government OSI Profile (GOSIP) that specified a subset of the OSI protocols as a Federal Information Processing Standard (FIPS 146). GOSIP compatibility has been adopted as the direction for all U.S. government networks. OSI is extremely diverse, and therefore adherence to a profile will facilitate interoperability within OSI networks. All major computer vendors have indicated current or future support of GOSIP-compliant OSI protocols in their products. The NASA Science Internet (NSI) is an operational network, serving user requirements under NASA's Office of Space Science and Applications. NSI consists of the Space Physics Analysis Network (SPAN) that uses the DECnet protocols and the NASA Science Network (NSN) that uses TCP/IP protocols. The NSI Project Office is currently working on an OSI integration analysis and strategy. A long-term goal is to integrate SPAN and NSN into one unified network service, using a full OSI protocol suite, which will support the OSSA user community.

Nitzan, Rebecca↗

Parallel Ada benchmarks for the SVMS

The use of parallel processing paradigm to design and develop faster and more reliable computers appear to clearly mark the future of information processing. NASA started the development of such an architecture: the Spaceborne VHSIC Multi-processor System (SVMS). Ada will be one of the languages used to program the SVMS. One of the unique characteristics of Ada is that it supports parallel processing at the language level through the tasking constructs. It is important for the SVMS project team to assess how efficiently the SVMS architecture will be implemented, as well as how efficiently Ada environment will be ported to the SVMS. AUTOCLASS II, a Bayesian classifier written in Common Lisp, was selected as one of the benchmarks for SVMS configurations. The purpose of the R and D effort was to provide the SVMS project team with the version of AUTOCLASS II, written in Ada, that would make use of Ada tasking constructs as much as possible so as to constitute a suitable benchmark. Additionally, a set of programs was developed that would measure Ada tasking efficiency on parallel architectures as well as determine the critical parameters influencing tasking efficiency. All this was designed to provide the SVMS project team with a set of suitable tools in the development of the SVMS architecture.

Collard, Philippe E.↗

A software system for laser design and analysis

A laser-material database and laser-modeling software system for designing lasers for laser-based Light Detection And Ranging (LIDAR) systems are presented. The software system consists of three basic sections: the database, laser models, and interface software. The database contains the physical parameters of laser, optical, and nonlinear materials required by laser models. The models include efficiency calculations, electrooptical component models, resonator, amplifier, and oscillator models, and miscellaneous models. The interface software provides a user-friendly interface between the user and his personal data files, the database, and models. The structure of the software system is essentially in place, while future plans call for upgrading the computer hardware and software in order to support a multiuser multitask environment.

Cross, P. L.↗

An experimental investigation of a low Reynolds number turbulent boundary layer subject to an adverse pressure gradient

The evolution of a low Re(sub theta) turbulent boundary layer in an adverse pressure gradient (APG) is being studied for comparison with direct numerical simulations by Spalart. A short region of favorable pressure gradient (FPG) is applied first to establish a self preserving layer with Re(sub theta) equals approx. 600, which is a suitable initial condition for simulations. The APG is then applied rapidly such that beta equals approx. 2 at Re(sub theta) equals approx. 1500. The streamwise extent of the measurements exceeds the current capabilities of direct simulation so that the results should also serve as a useful data base for Reynolds averaged boundary layer prediction methods and in the future for direct simulation schemes as computer technology evolves.

Watmuff, J. H.↗