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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Parallel replica dynamics method for bistable stochastic reaction networks: Simulation and sensitivity analysis

Stochastic reaction networks that exhibit bistable behavior are common in systems biology, materials science, and catalysis. Sampling of stationary distributions is crucial for understanding and characterizing the long-time dynamics of bistable stochastic dynamical systems. However, simulations are often hindered by the insufficient sampling of rare transitions between the two metastable regions. In this paper, we apply the parallel replica method for a continuous time Markov chain in order to improve sampling of the stationary distribution in bistable stochastic reaction networks. The proposed method uses parallel computing to accelerate the sampling of rare transitions. Furthermore, it can be combined with the path-space information bounds for parametric sensitivity analysis. With the proposed methodology, we study three bistable biological networks: the Schlögl model, the genetic switch network, and the enzymatic futile cycle network. We demonstrate the algorithmic speedup achieved in these numerical benchmarks. More significant acceleration is expected when multi-core or graphics processing unit computer architectures and programming tools such as CUDA are employed

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Do Programmers Prefer Predictable Expressions in Code?

Source code is a form of human communication, albeit one where the information shared between the programmers reading and writing the code is constrained by the requirement that the code executes correctly. Programming languages are more syntactically constrained than natural languages, but they are also very expressive, allowing a great many different ways to express even very simple computations. Still, code written by developers is highly predictable, and many programming tools have taken advantage of this phenomenon, relying on language model surprisal as a guiding mechanism. Additionally, while surprisal has been validated as a measure of cognitive load in natural language, its relation to human cognitive processes in code is still poorly understood. In this paper, we explore the relationship between surprisal and programmer preference at a small granularity—do programmers prefer more predictable expressions in code? Using meaning-preserving transformations, we produce equivalent alternatives to developer-written code expressions and run a corpus study on Java and Python projects. In general, language models rate the code expressions developers choose to write as more predictable than these transformed alternatives. Then, we perform two human subject studies asking participants to choose between two equivalent snippets of Java code with different surprisal scores (one original and transformed). We find that programmers do prefer more predictable variants, and that stronger language models like the transformer align more often and more consistently with these preferences.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

SU-E-T-558: An Exploratory RF Pulse Sequence Technique Used to Induce Differential Heating in Tissues Containing Iron Oxide Nanoparticles for a Possible Hyperthermic Adjuvant Effect to Radiotherapy

Purpose: In pre-clinical trials of cancer thermotherapy, hyperthermia can be induced by exposing localized super-paramagnetic iron oxide nanoparticles (SPION) to external alternating magnetic fields generated by a solenoid electrical circuit (Zhao et al., Theranostics 2012). Alternatively, an RF pulse technique implemented in a regular MRI system is explored as a possible hyperthermia induction technique . Methods: A new thermal RF pulse sequence was developed using the Philips pulse programming tool for the 3T Ingenia MRI system to provide a sinusoidal magnetic field alternating at the frequency of 1.43 kHz (multiples of sine waves of 0.7 ms period) before each excitation RF pulse for imaging. The duration of each thermal RF pulse routine was approximately 3 min, and the thermal pulse was applied multiple times to a phantom that contains different concentrations (high, medium and low) of SPION samples. After applying the thermal pulse each time, the temperature change was estimated by measuring the phase changes in the T1-weighted inversion-prepared multi-shot turbo field echo (TFE) sequence (TR=5.5 ms, TE=2.7 ms, inversion time=200 ms). Results: The phase values and relative differences among them changed as the number of applied thermal RF pulses increased. After the 5th application of the thermal RF pulse, the relative phase differences increased significantly, suggesting the thermal activation of the SPION. The increase of the phase difference was approximately linear with the SPION concentration. Conclusion: A sinusoidal RF pulse from the MRI system may be utilized to selectively thermally activate tissues containing super-paramagnetic iron oxide nanoparticles.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Flexible Computer Science Infrastructure (FleCSI)

FleCSI is a compile-time configurable framework designed to support multi-physics application development. As such, FleCSI attempts to provide a very general set of infrastructure design patterns that can be specialized and extended to suit the needs of a broad variety of solver and data requirements. Current support includes multi-dimensional mesh topology, mesh geometry, and mesh adjacency information, n-dimensional hashed-tree data structures, graph partitioning interfaces, and dependency closures. FleCSI also introduces a functional programming model with control, execution, and data abstractions that are consistent with both MPI and state-of-the-art task-based runtimes such as Legion and Charm++. The FleCSI abstraction layer provides the developer with insulation from the underlying runtime, while allowing support for multiple runtime systems, including conventional models like asynchronous MPI. The intent is to give developers a concrete set of user-friendly programming tools that can be used now, while allowing flexibility in choosing runtime implementations and optimizations that can be applied to architectures and runtimes that arise in the future. The control and execution models in FleCSI also provide formal nomenclature for describing poorly understood concepts like kernels and tasks.

Moss, Nicholas↗
DOE OSTI2026

Quantum Stochastic Programming [SWR-26-040]

The Quantum Stochastic Programming tool contains quantum computing algorithms for two-stage stochastic optimization, with a focus on the Unit Commitment (UC) problem in power systems. The algorithms combine Discrete Quantum Annealing (DQA) with Quantum Amplitude Estimation (QAE) to compute expected-value objective functions over a probability distribution of wind-power scenarios. Based on: arXiv 2402.15029 - "Quantum algorithms for the two-stage stochastic unit commitment problem"

Maack, Jonathan [National Laboratory of the Rockie↗
DOE OSTI2017

Unified, Cross-Platform, Open-Source Library Package for High-Performance Computing

Compute power is continually increasing, but this increased performance is largely found in sophisticated computing devices and supercomputer resources that are difficult to use, resulting in under-utilization. We developed a unified set of programming tools that will allow users to take full advantage of the new technology by allowing them to work at a level abstracted away from the platform specifics, encouraging the use of modern computing systems, including government-funded supercomputer facilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

FleCSPH notes

FleCSI is a compile-time con gurable framework designed to support multi-physics application development. As such, FleCSI provides a very general set of infrastructure design patterns that can be specialized and extended to suit the needs of a broad variety of solver and data requirements. FleCSI currently supports multi-dimensional mesh topology, geometry, and adjacency information, as well as n-dimensional hashed-tree data structures, graph partitioning interfaces, and dependency closures. FleCSI introduces a functional programming model with control, execution, and data abstractions that are consistent both with MPI and with state-of-the-art, task-based runtimes such as Legion and Charm++. The abstraction layer insulates developers from the underlying runtime, while allowing support for multiple runtime systems including conventional models like asynchronous MPI. The intent is to provide developers with a concrete set of user-friendly programming tools that can be used now, while allowing exibility in choosing runtime implementations and optimization that can be applied to future architectures and runtimes. FleCSI's control and execution models provide formal nomenclature for describing poorly understood concepts such as kernels and tasks. FleCSI's data model provides a low-buy-in approach that makes it an attractive option for many application projects, as developers are not locked into particular layouts or data structure representations. FleCSI currently provides a parallel but not distributed implementation of Binary, Quad and Oct-tree topology. This implementation is base on space lling curves domain decomposition, the Morton order. The current FleCSI version requires the implementation of a driver and a specialization driver. The role of the specialization driver is to provide the data distribution. This feature is not complete in FleCSI code and we provide it. The next step will be to incorporate it directly from FleCSPH to FleCSI as we reach a good level of performance. Then the driver represent the general execution of the resolution without worrying of the data locality and communications. As FleCSI is an On-Development code the structure may change in the future and we keep track of these changes in FleCSPH.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Realizing High-Performance Parallel Computing Final Report CRADA No. TC-0319-92

The objectives of this project were to improve the programming environment for scientific applications on shared-memory (SMP) and massively-parallel (MMP) computer systems and to develop high-performance, parallel rational drug design applications. The collaborators, IBM Corp., BioNumerik Pharmaceuticals (BNP), and Lawrence Livermore National Laboratory (LLNL), each brought unique expertise to the project. IBM contributed state-of-the-art SMP and MMP computer systems; BNP provided proprietary quantum mechanical and statistical mechanical molecular dynamics codes and experimental data; and LLNL contributed its high-performance Sisal compilers, runtime systems, and programming tools.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Potential Ideas for an El Capitan Center of Excellence (COE) Around Intelligent Simulation

Proposing a Center of Excellence under the CORAL-2 NRE is a mandatory requirement. The current Sierra COE (CORAL-1) is largely focused on helping LLNL applications make the disruptive transition to a heterogeneous GPU-based system by 2018. We expect a continuation of COE activities around optimizing our broad and diverse application base (of so-called “traditional” simulation codes) optimized for the El Capitan architecture, as well as supporting the underlying software stack (compilers, tools, programming models, etc.) – but do not expect this to require as much effort in the El Capitan COE (assuming a heterogeneous node architecture). What follows are some thoughts on 3 potential topics of interest for an El Capitan COE at LLNL – largely focused around AI and machine learning and the concept of advancing our goal of intelligent simulation or cognitive computing in the timeframe of deployment and production use of El Capitan (2023-2038). We believe vendor engagement through a COE in this area will provide a natural point-of-interest between LLNL and our vendor partner for common advancement of machine learning capabilities focused on scientific data – potentially greatly broadening the ecosystem around HPC architectures and the supporting software stack for scientific simulation-based AI.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Decomposition of Nonlinear Dynamical Networks via Comparison Systems

In analysis and control of large-scale nonlinear dynamical systems, a distributed approach is often an attractive option due to its computational tractability and usually low communication requirements. Success of the distributed control design relies on the separability of the network into weakly interacting subsystems such that minimal information exchange between subsystems is sufficient to achieve satisfactory control performance. While distributed analysis and control design for dynamical network have been well studied, decomposition of nonlinear networks into weakly interacting subsystems has not received as much attention. In this article we propose a vector Lyapunov functions based approach to quantify the energy-flow in a dynamical network via a model of a comparison system. Introducing a notion of power and energy flow in a dynamical network, we use sum-of-squares programming tools to partition polynomial networks into weakly interacting subsystems. Examples are provided to illustrate the proposed method of decomposition.

Maruf, Abdullah Al↗
NASA NTRS1970

A method of numerically controlled machine part programming

Computer program is designed for automatically programmed tools. Preprocessor computes desired tool path and postprocessor computes actual commands causing machine tool to follow specific path. It is used on a Cincinnati ATC-430 numerically controlled machine tool.

Source record↗
NASA NTRS1972

Correlation signatures of wet soils and snows

Interpretation, analysis, and development of algorithms have provided the necessary computational programming tools for soil data processing, data handling and analysis. Algorithms that have been developed thus far, are adequate and have been proven successful for several preliminary and fundamental applications such as software interfacing capabilities, probability distributions, grey level print plotting, contour plotting, isometric data displays, joint probability distributions, boundary mapping, channel registration and ground scene classification. A description of an Earth Resources Flight Data Processor, (ERFDP), which handles and processes earth resources data under a users control is provided.

Phillips, M. R.↗
NASA NTRS1979

METAPHOR: Programmer's guide, Version 1

The internal structure of the Michigan Evaluation Aid for Perphormability (METAPHOR), an interactive software package to facilitate performability modeling and evaluation is described. Revised supplemented guides are prepared in order to maintain an up-to-date documentation of the system. Programmed tools to facilitate each step of performability model construction and model solution are given.

Furchtgott, D. G.↗
NASA NTRS1980

Integrated computer-aided design using minicomputers

Computer-Aided Design/Computer-Aided Manufacturing (CAD/CAM), a highly interactive software, has been implemented on minicomputers at the NASA Langley Research Center. CAD/CAM software integrates many formerly fragmented programs and procedures into one cohesive system; it also includes finite element modeling and analysis, and has been interfaced via a computer network to a relational data base management system and offline plotting devices on mainframe computers. The CAD/CAM software system requires interactive graphics terminals operating at a minimum of 4800 bits/sec transfer rate to a computer. The system is portable and introduces 'interactive graphics', which permits the creation and modification of models interactively. The CAD/CAM system has already produced designs for a large area space platform, a national transonic facility fan blade, and a laminar flow control wind tunnel model. Besides the design/drafting element analysis capability, CAD/CAM provides options to produce an automatic program tooling code to drive a numerically controlled (N/C) machine. Reductions in time for design, engineering, drawing, finite element modeling, and N/C machining will benefit productivity through reduced costs, fewer errors, and a wider range of configuration.

Storaasli, O. O.↗
NASA NTRS1987

Automating the parallel processing of fluid and structural dynamics calculations

The NASA Lewis Research Center is actively involved in the development of expert system technology to assist users in applying parallel processing to computational fluid and structural dynamic analysis. The goal of this effort is to eliminate the necessity for the physical scientist to become a computer scientist in order to effectively use the computer as a research tool. Programming and operating software utilities have previously been developed to solve systems of ordinary nonlinear differential equations on parallel scalar processors. Current efforts are aimed at extending these capabilities to systems of partial differential equations, that describe the complex behavior of fluids and structures within aerospace propulsion systems. This paper presents some important considerations in the redesign, in particular, the need for algorithms and software utilities that can automatically identify data flow patterns in the application program and partition and allocate calculations to the parallel processors. A library-oriented multiprocessing concept for integrating the hardware and software functions is described.

Arpasi, Dale J.↗
NASA NTRS1988

Rational-Spline Subroutines

Smooth curves drawn among plotted data easily. Rational-Spline Approximation with Automatic Tension Adjustment algorithm leads to flexible, smooth representation of experimental data. "Tension" denotes mathematical analog of mechanical tension in spline or other mechanical curve-fitting tool, and "spline" as denotes mathematical generalization of tool. Program differs from usual spline under tension, allows user to specify different values of tension between adjacent pairs of knots rather than constant tension over entire range of data. Subroutines use automatic adjustment scheme that varies tension parameter for each interval until maximum deviation of spline from line joining knots less than or equal to amount specified by user. Procedure frees user from drudgery of adjusting individual tension parameters while still giving control over local behavior of spline.

Schiess, James R.↗
NASA NTRS1987

Automating the parallel processing of fluid and structural dynamics calculations

The NASA Lewis Research Center is actively involved in the development of expert system technology to assist users in applying parallel processing to computational fluid and structural dynamic analysis. The goal of this effort is to eliminate the necessity for the physical scientist to become a computer scientist in order to effectively use the computer as a research tool. Programming and operating software utilities have previously been developed to solve systems of ordinary nonlinear differential equations on parallel scalar processors. Current efforts are aimed at extending these capabilties to systems of partial differential equations, that describe the complex behavior of fluids and structures within aerospace propulsion systems. This paper presents some important considerations in the redesign, in particular, the need for algorithms and software utilities that can automatically identify data flow patterns in the application program and partition and allocate calculations to the parallel processors. A library-oriented multiprocessing concept for integrating the hardware and software functions is described.

Arpasi, Dale J.↗
NASA NTRS1989

Graphical programming and the use of simulation for space-based manipulators

Robotic manipulators are difficult to program even without the special requirements of a zero-gravity environment. While attention should be paid to investigating the usefulness of industrial application programming methods to space manipulators, new methods with potential application to both environments need to be invented. These methods should allow various levels of autonomy and human-in-the-loop interaction and simple, rapid switching among them. For all methods simulation must be integrated to provide reliability and safety. Graphical programming of manipulators is a candidate for an effective robot programming method despite current limitations in input devices and displays. A research project in task-level robot programming has built an innovative interface to a state-of-the-art commercial simulation and robot programming platform. The prototype demonstrates simple augmented methods for graphical programming and simulation which may be of particular interest to those concerned with Space Station applications; its development has also raised important issues for the development of more sophisticated robot programming tools. Both aspects of the project are discussed.

Mcgrath, Debra S.↗