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At least 811 records · Page 45

Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structure

The Massively Parallel Quantum Chemistry (MPQC) program is a 30-year-old project that enables facile development of electronic structure methods for molecules for efficient deployment to massively parallel computing architectures. Here, we describe the historical evolution of MPQC’s design into its latest (fourth) version, the capabilities and modular architecture of today’s MPQC, and how MPQC facilitates rapid composition of new methods as well as its state-of-the-art performance on a variety of commodity and high-end distributed-memory computer platforms.

Peng, Chong↗

Continuous and Time-Domain Coherent Signal Conversion between Optical and Microwave Frequencies

A quantum network consisting of computational nodes connected by high-fidelity communication channels could expand information-processing capabilities significantly beyond those of classical networks. Superconducting qubits hold promise for scalable and high-fidelity quantum computation at microwave frequencies but must operate in an isolated cryogenic environment, obviating the potential for practical long-range communication. Quantum communication has, however, been demonstrated with optical photons. A fast efficient quantum-coherent interface between superconducting qubits and optical photons would provide a key resource for a large-scale quantum network or distributed quantum computer. Here, we describe the design and experimental operation of a device incorporating a silicon optomechanical nanobeam combined with an aluminum-nitride-based electromechanical transducer. We experimentally demonstrate classical continuous-wave operation of this device at room temperature with external conversion efficiencies of (2.5 +/- 0.4) x 10 -5 (microwave to optical) and (3.8 +/- 0.4) x 10 -5 (optical to microwave), corresponding to internal efficiencies of 2.4% and 3.7%, respectively. Finally, this device also has a larger bandwidth than previous efficient microwave-optical transducers, allowing us to operate in the time domain with 20-ns pulses.

74 ATOMIC AND MOLECULAR PHYSICS↗

Hybrid classical-quantum communication networks

Over the past several decades, the proliferation of global classical communication networks has transformed various facets of human society. Concurrently, quantum networking has emerged as a dynamic field of research, driven by its potential applications in distributed quantum computing, quantum sensor networks, and secure communications. This prompts a fundamental question: rather than constructing quantum networks from scratch, can we harness the widely available classical fiber-optic infrastructure to establish hybrid quantum–classical networks? This paper aims to provide a comprehensive review of ongoing research endeavors aimed at integrating quantum communication protocols, such as quantum key distribution, into existing lightwave networks. This approach offers the substantial advantage of reducing implementation costs by allowing classical and quantum communication protocols to share optical fibers, communication hardware, and other network control resources—arguably the most pragmatic solution in the near term. In the long run, classical communication will also reap the rewards of innovative quantum communication technologies, such as quantum memories and repeaters. Accordingly, our vision for the future of the Internet is that of heterogeneous communication networks thoughtfully designed for the seamless support of both classical and quantum communications.

Fiber-optic communication↗

Launch Vehicle Debris Models and Crew Vehicle Ascent Abort Risk

For manned space launch systems, a reliable abort system is required to reduce the risks associated with a launch vehicle failure during ascent. Understanding the risks associated with failure environments can be achieved through the use of physics-based models of these environments. Debris fields due to destruction of the launch vehicle is one such environment. To better analyze the risk posed by debris, a physics-based model for generating launch vehicle debris catalogs has been developed. The model predicts the mass distribution of the debris field based on formulae developed from analysis of explosions. Imparted velocity distributions are computed using a shock-physics code to model the explosions within the launch vehicle. A comparison of the debris catalog with an existing catalog for the Shuttle external tank show good comparison in the debris characteristics and the predicted debris strike probability. The model is used to analyze the effects of number of debris pieces and velocity distributions on the strike probability and risk.

Gee, Ken↗

Finding MIDDLE Ground: Scalable and Secure Distributed Learning

Edge computing methods allow devices to efficiently train a high-performing, robust, and personalized model for predictive tasks. However, these methods succumb to privacy and scalability concerns such as adversarial data recovery and expensive model communication. Furthermore, edge computing methods unrealistically assume that all devices train an identical model. In practice, edge devices have varying computational and memory constraints which may not allow certain devices to have the space or speed to train a specific model. To overcome these issues, we propose MIDDLE: a model independent distributed learning algorithm which allows heterogeneous edge devices to assist each other’s training while communicating only non-sensitive information. MIDDLE unlocks the ability for edge devices, regardless of computational or memory constraints, to assist each other even with completely different model architectures. Furthermore, MIDDLE does not require model or gradient communication which greatly reduces communication size and time. We prove that MIDDLE attains the optimal convergence rate O(1/sqrt(TM)) of stochastic gradient descent for convex and non-convex smooth optimization (for total iterations T and batch size M). Finally, our experimental results demonstrate that MIDDLE (even in non-IID data settings) attains robust and high-performing models without model or gradient communication.

Bornstein, Marc I.↗

An Architecture for Real-Time Interpretation and Visualization of Structural Sensor Data in a Laboratory Environment

A visualization system is being developed out of the need to monitor, interpret, and make decisions based on the information from several thousand sensors during experimental testing to facilitate development and validation of structural health monitoring algorithms. As an added benefit the system will enable complete real-time sensor assessment of complex test specimens. Complex structural specimens are routinely tested that have hundreds or thousands of sensors. During a test, it is impossible for a single researcher to effectively monitor all the sensors and subsequently interesting phenomena occur that are not recognized until post-test analysis. The ability to detect and alert the researcher to these unexpected phenomena as the test progresses will significantly enhance the understanding and utilization of complex test articles. Utilization is increased by the ability to halt a test when the health monitoring algorithm response is not satisfactory or when an unexpected phenomenon occurs, enabling focused investigation potentially through the installation of additional sensors. Often if the test continues, structural changes make it impossible to reproduce the conditions that exhibited the phenomena. The prohibitive time and costs associated with fabrication, sensoring, and subsequent testing of additional test articles generally makes it impossible to further investigate the phenomena. A scalable architecture is described to address the complex computational demands of structural health monitoring algorithm development and laboratory experimental test monitoring. The researcher monitors the test using a photographic quality 3D graphical model with actual sensor locations identified. In addition, researchers can quickly activate plots displaying time or load versus selected sensor response along with the expected values and predefined limits. The architecture has several key features. First, distributed dissimilar computers may be seamlessly integrated into the information flow. Second, virtual sensors may be defined that are complex functions of existing sensors or other virtual sensors. Virtual sensors represent a calculated value not directly measured by particular physical instrument. They can be used, for example, to represent the maximum difference in a range of sensors or the calculated buckling load based on the current strains. Third, the architecture enables autonomous response to preconceived events, where by the system can be configured to suspend or abort a test if a failure is detected in the load introduction system. Fourth, the architecture is designed to allow cooperative monitoring and control of the test progression from multiple stations both remote and local to the test system. To illustrate the architecture, a preliminary implementation is described monitoring the Stitched Composite Wing recently tested at LaRC.

Doggett, William↗

A Shell/3D Modeling Technique for Delaminations in Composite Laminates

A shell/3D modeling technique was developed for which a local solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a plate or shell finite element model. Multi-point constraints provide a kinematically compatible interface between the local 3D model and the global structural model which has been meshed with plate or shell finite elements. For simple double cantilever beam (DCB), end notched flexure (ENF), and single leg bending (SLB) specimens, mixed mode energy release rate distributions were computed across the width from nonlinear finite element analyses using the virtual crack closure technique. The analyses served to test the accuracy of the shell/3D technique for the pure mode I case (DCB), mode II case (ENF) and a mixed mode I/II case (SLB). Specimens with a unidirectional layup where the delamination is located between two 0 plies, as well as a multidirectional layup where the delamination is located between two non-zero degree plies, were simulated. For a local 3D model extending to a minimum of about three specimen thicknesses in front of and behind the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures modeled with plate elements, the shell/3D modeling technique offers a great potential, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

Krueger, Ronald↗

Spacelab experiment computer study. Volume 1: Executive summary (presentation)

A quantitative cost for various Spacelab flight hardware configurations is provided along with varied software development options. A cost analysis of Spacelab computer hardware and software is presented. The cost study is discussed based on utilization of a central experiment computer with optional auxillary equipment. Groundrules and assumptions used in deriving the costing methods for all options in the Spacelab experiment study are presented. The groundrules and assumptions, are analysed and the options along with their cost considerations, are discussed. It is concluded that Spacelab program cost for software development and maintenance is independent of experimental hardware and software options, that distributed standard computer concept simplifies software integration without a significant increase in cost, and that decisions on flight computer hardware configurations should not be made until payload selection for a given mission and a detailed analysis of the mission requirements are completed.

Lewis, J. L.↗

Near-Optimal Distributed Linear-Quadratic Regulator for Networked Systems

This paper studies the trade-off between the degree of decentralization and the performance of a distributed controller in a linear-quadratic control setting. We study a system of interconnected agents over a graph and a distributed controller, called k-distributed control, which lets the agents make control decisions based on the state information within distance k on the underlying graph. This controller can tune its degree of decentralization using the parameter k and thus allows a characterization of the relationship between decentralization and performance. We show that under mild assumptions, including stabilizability, detectability, and a subexponentially growing graph condition, the performance difference between k-distributed control and centralized optimal control becomes exponentially small in k. Finally, this result reveals that distributed control can achieve near-optimal performance with a moderate degree of decentralization, and thus it is an effective controller architecture for large-scale networked systems.

97 MATHEMATICS AND COMPUTING↗

Improvement of the TOPEX and Jason Orbit Time Series: Precision Orbit Determination, Calibration, Validation and Improvement Through the Combined Reduction and Analysis of GPS, SLR, DORIS and Altimeter Data

Orbit error is a major component in the overall error budget of all altimeter satellite missions. Jason-I is no exception and a 1 cm radial orbit accuracy goal has been set, which represents a factor of two improvement over what is currently being achieved for TOPEX/Poseidon (TP). Our current analysis suggests this goal has been met and even improved upon, but the challenge is to be able to continually achieve this high accuracy, verify the performance and characterize and quantify the remaining errors over the lifetime of the mission. The computation, verification and error characterization of such high accuracy orbits requires the reduction and analysis of all available tracking data (GPS, SLR, DORIS and altimeter). Current analysis also indicates the history of TP orbits can be further improved employing new solution strategies developed and tested on Jason-I. Our research focuses on the calibration, validation and improvement of orbit accuracies using all available tracking data including altimetry. We will compute and distribute well centered Jason orbits with an accuracy of better than 1-cm in the radial component. In addition to the orbits themselves, a characterization of the orbit error will be distributed and accumulated as a time series of orbit performance metrics to track anomalies and trends. The long time series of orbit error characterization will enable a better understanding of the remaining orbit errors and its impact on the altimeter data analysis. As part of this research effort we are also significantly improving the current level of TP orbit accuracy, re-computing new high-accuracy TP orbits from the beginning of the TP mission and continuing into the future (as long as TP is healthy). Our funded research effort will result in a complete and consistent time series of improved orbits for both TP and Jason, significantly benefiting the long time series of altimeter data analysis and the TP/Jason dual mission. The resultant high accuracy orbits and the characterization of their error will allow further improvements to the accuracy and overall quality of the altimeter measurement time series making possible further strides in radar altimeter remote sensing.

Luthcke, Scott B.↗

A computer-controlled scintiscanning system and associated computer graphic techniques for study of regional distribution of blood flow.

Two methods whereby a digital computer may be used to regulate a scintiscanning process are discussed from the viewpoint of computer input-output software. The computer's function, in this case, is to govern the data acquisition and storage, and to display the results to the investigator in a meaningful manner, both during and subsequent to the scanning process. Several methods (such as three-dimensional maps, contour plots, and wall-reflection maps) have been developed by means of which the computer can graphically display the data on-line, for real-time monitoring purposes, during the scanning procedure and subsequently for detailed analysis of the data obtained. A computer-governed method for converting scintiscan data recorded over the dorsal or ventral surfaces of the thorax into fractions of pulmonary blood flow traversing the right and left lungs is presented.

Coulam, C. M.↗

A Multiple Sphere T-Matrix Fortran Code for Use on Parallel Computer Clusters

A general-purpose Fortran-90 code for calculation of the electromagnetic scattering and absorption properties of multiple sphere clusters is described. The code can calculate the efficiency factors and scattering matrix elements of the cluster for either fixed or random orientation with respect to the incident beam and for plane wave or localized- approximation Gaussian incident fields. In addition, the code can calculate maps of the electric field both interior and exterior to the spheres.The code is written with message passing interface instructions to enable the use on distributed memory compute clusters, and for such platforms the code can make feasible the calculation of absorption, scattering, and general EM characteristics of systems containing several thousand spheres.

Mackowski, D. W.↗

Resilient Design of Continuous-time Distributed Optimization Algorithm in the Presence of Cyber-attacks

This paper presents a continuous-time resilient distributed optimization algorithm based on competitive interaction design method on connected graphs in the presence of adversaries. Here, the competitive interaction method allows us to design a network that protects the multi-agent systems from adversaries without requiring high network connectivity. In addition, the proposed algorithm does not require the global information about the number of adversaries. First, we show that the proposed distributed algorithm solves the resilient distributed optimization problem with no attack on the communication links. Second, we show that the proposed continuous-time distributed optimization algorithm on connected graphs converges to the small neighborhood of the optimal solution in the presence of cyber-attacks onto the communication channel. Simulations are presented to illustrate our theoretical results.

97 MATHEMATICS AND COMPUTING↗

A Shell/3D Modeling Technique for the Analysis of Delaminated Composite Laminates

A shell/3D modeling technique was developed for which a local solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a shell finite element model. Multi-point constraints provided a kinematically compatible interface between the local 3D model and the global structural model which has been meshed with shell finite elements. Double Cantilever Beam, End Notched Flexure, and Single Leg Bending specimens were analyzed first using full 3D finite element models to obtain reference solutions. Mixed mode strain energy release rate distributions were computed using the virtual crack closure technique. The analyses were repeated using the shell/3D technique to study the feasibility for pure mode I, mode II and mixed mode I/II cases. Specimens with a unidirectional layup and with a multidirectional layup were simulated. For a local 3D model, extending to a minimum of about three specimen thicknesses on either side of the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures the shell/3D modeling technique offers a great potential for reducing the model size, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

Krueger, Ronald↗

Software To Secure Distributed Propulsion Simulations

Distributed-object computing systems are presented with many security threats, including network eavesdropping, message tampering, and communications middleware masquerading. NASA Glenn Research Center, and its industry partners, has taken an active role in mitigating the security threats associated with developing and operating their proprietary aerospace propulsion simulations. In particular, they are developing a collaborative Common Object Request Broker Architecture (CORBA) Security (CORBASec) test bed to secure their distributed aerospace propulsion simulations. Glenn has been working with its aerospace propulsion industry partners to deploy the Numerical Propulsion System Simulation (NPSS) object-based technology. NPSS is a program focused on reducing the cost and time in developing aerospace propulsion engines

Blaser, Tammy M.↗

Distribution of aurora and ionospheric currents observed simultaneously on a global scale

The instantaneous spatial distribution of auroral emissions is observed with auroral imaging photometers on board the spacecraft Dynamics Explorer 1 (DE 1) as ground-based meridian chains of magnetometers simultaneously detect the magnetic signatures of ionospheric and field-aligned currents flowing at northern polar latitudes. Ionospheric conductivities at nighttime auroral latitudes are estimated from the measured auroral luminosities and used with the measured polar magnetic variations to compute model distributions of ionospheric and field-aligned currents. Temporal resolution for the coordinated observations and model calculations is 12 minutes. Model ionospheric and field-aligned current distributions are overlayed on global auroral images to illustrate spatial relations on a global scale at the maximum epoch of an auroral substorm. Eccentric-dipole-latitude and magnetic-local-time coordinates are used. A model field-aligned current distribution is compared quantitatively with the distribution of field-aligned currents inferred from simultaneous observations by the DE-2 magnetometer.

Craven, J. D.↗

Quantitative characterization of spatial distribution of particles in materials: Application to materials processing

Most engineering materials contain second phase particles or fibers which serve to reinforce the matrix phase. The effect of reinforcements on material properties is usually analyzed in terms of the average volume fraction and spacing of reinforcements, quantities which are global microstructural characteristics. However, material properties can also depend on local microstructural characteristics; for example, on how uniformly the reinforcing phase is distributed in the material. The analysis method will then be applied to a materials processing problem to discover how processing parameters can be selected to maximize redistribution of the reinforcing phase during processing. Several mathematical analysis methods could be adapted to the problem of characterizing the distribution of particles in materials. A tessellation-based method was selected. In the first phase of the investigation, a software package was written to automate the analysis. Typical results are shown. The analysis technique allows the degree to which particles are clustered together, the size and spacing of particle clusters, and the particle density in clusters to be found. The analysis methods were applied to computer-generated distributions and to a few real particle-containing materials. Methods for analyzing a nonuniform particle distribution in a material can be applied to two broad classes of materials science problems: understanding how the resulting particle distribution affects properties. The analysis method described is applied to a materials processing problem: how to select extrusion conditions to maximize the redistribution of reinforcing particles that are initially nonuniformly distributed. In addition, the tessellation-based method to analyze star distributions in spiral galaxies was adapted, illustrating the diverse types of problems to which the analysis method can be applied.

Parse, J. B.↗

Scalable Volume Visualization for Big Scientific Data Modeled by Functional Approximation

Considering the challenges posed by the space and time complexities in handling extensive scientific volumetric data, various data representations have been developed for the analysis of large-scale scientific data. Multivariate functional approximation (MFA) is an innovative data model designed to tackle substantial challenges in scientific data analysis. It computes values and derivatives with high-order accuracy throughout the spatial domain, mitigating artifacts associated with zero- or first-order interpolation. However, the slow query time through MFA makes it less suitable for interactively visualizing a large MFA model. In this work, we develop the first scalable interactive volume visualization pipeline, MFA-DVV, for the MFA model encoded from large-scale datasets. Our method achieves low input latency through distributed architecture, and its performance can be further enhanced by utilizing a compressed MFA model while still maintaining a high-quality rendering result for scientific datasets. We conduct comprehensive experiments to show that MFA-DVV can decrease the input latency and achieve superior visualization results for big scientific data compared with existing approaches.

big scientific dataset↗