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At least 181 records · Page 10

Summer Proceedings 2019

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researchers to learn about problems in computer and computational science at DOE laboratories. Participants conduct leading-edge research, interact with scientists and engineers at the laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, adaptivity and mesh refinement, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers and heterogeneous computers, data-intensive computing, environments for scalable computing, parallel input/output, advanced architectures, and theoretical computer science. The CSRI Summer Program includes the organization of a weekly seminar series and the publication of this summer proceedings.

97 MATHEMATICS AND COMPUTING↗

PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics

The ab initio multiple spawning (AIMS) method enables nonadiabatic quantum molecular dynamics simulations in an arbitrary number of dimensions, with potential energy surfaces provided by electronic structure calculations performed on-the-fly. However, the intricacy of the AIMS algorithm complicates software development, deployment on modern shared computer resources, and post-simulation data analysis. PySpawn is a nonadiabatic molecular dynamics software package that addresses these issues. Here, the program is designed to be easily interfaced with electronic structure software, and an interface to the TeraChem software package is described here. PySpawn introduces a task-based reorganization of the AIMS algorithm, allowing fine-grained restart capability and setting the stage for efficient parallelization in a future release. PySpawn includes a user-friendly and interactive Python analysis module that will enable novice users to painlessly adopt AIMS. As a demonstration of PySpawn’s simulation capability and analysis module, we report complete active space self-consistent field–based AIMS simulations of the 1,2- dithienyl-1,2-dicyanoethene molecule, a promising molecular photoswitch.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Single step optimization of manipulator maneuvers with variable structure control

One step ahead optimization has been recently proposed for spacecraft attitude maneuvers as well as for robot manipulator maneuvers. Such a technique yields a discrete time control algorithm implementable as a sequence of state-dependent, quadratic programming problems for acceleration optimization. Its sensitivity to model accuracy, for the required inversion of the system dynamics, is shown in this paper to be alleviated by a fast variable structure control correction, acting between the sampling intervals of the slow one step ahead discrete time acceleration command generation algorithm. The slow and fast looping concept chosen follows that recently proposed for optimal aiming strategies with variable structure control. Accelerations required by the VSC correction are reserved during the slow one step ahead command generation so that the ability to overshoot the sliding surface is guaranteed.

Chen, N.↗

Experimental validation of Order (n) DISCOS

An order (n) algorithm is developed for use in the industry-standard DISCOS (Dynamics Interaction Simulation of Controls and Structures) program for flexible multibody system dynamics simulation. This version should be more computationally efficient than conventional DISCOS for problems where a large number of bodies are involved. Program-dependent changes to DISCOS are described for reducing the number of bodies required to model gear reduction and nonlinear stiffness as internal effects. The gear reduction modification can be extended to general applications, such as gear box, rack and pinion, lever joint, and screw rotation models. Upgrading DISCOS for future use include the addition of robotics capabilities such as event-driven topology changes, surface sliding, pick-and-place, and multiarm hand-off.

Chun, Hon M.↗

DYSCO: A software system for modeling general dynamic systems

The DYSCO program has been under development since 1979. It has been funded by Army and Air Force laboratories and by the Kaman Aerospace Corporation. It is presently available at a number of government and nongovernment installations. It has been used to analyze a very broad range of dynamics problems. A principle feature of the software design of DYSCO is the separation of the executive from the technology. The executive, which controls all the operations, is intelligent in the sense that it knows that its function is to assemble differential equations and to prepare them for solution. The technology library contains FORTRAN routines which perform standard functions, such as, computing the equation coefficients of an element (or component) given the local state at any time. The technology library also contains algorithms and procedures for solving the coupled system equations. The system was designed to allow easy additional of technology to the library. Any linear or nonlinear structural entity, control system, or set of ordinary differential equations may be simply coded and added to the library, as well as algorithms for time or frequency domain solution. The program is described with emphasis on its usefulness in easily modeling unusual concepts and configurations, performing analysis of damage, evaluating new algorithms, and simulating dynamic tests.

Berman, Alex↗

On-Board Deployment Event Verification for GOES-R Spacecraft

As is common with many spacecraft designs, the GOES-R vehicles require a series of deployment events to transition from the launch configuration to the operational configuration. Rather than implementing additional sensors to verify various deployments, the GOES-R program developed an alternate approach that uses existing gyro rate sensing. The approach includes two pieces: the first is a new onboard shock detection capability to confirm initiation of individual deployment events, and the second is a ground-based dynamics verification step to confirm completion of deployment events. We first present the algorithm that detects shock events for various deployment devices along with the parameter tuning performed during ground tests. We then show inflight performance of the shock detection algorithm. While shock detection is useful for observing initiation of deployment events, completion of some deployment events cannot be determined by shock detection alone. For these events, such as solar panel latch-up and deployable boom extension, the program developed dynamics models for the deployment transient responses. High-rate gyro data were recorded for these events, which allow the ground team to verify that the appendages were fully deployed. We show the predictive models for these events and corresponding flight results.

GeoXO↗

Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials

Confluence of extreme-scale quantum dynamics simulations (i.e. quantum@scale) and cutting-edge x-ray free-electron laser experiments are revolutionizing materials science. An archetypal example is the exciting concept of using picosecond light pulses to control emergent material properties on demand in atomically-thin layered materials. This paper describes efforts to scale our quantum molecular dynamics engine toward the United States' first exaflop/s computer, under an Aurora Early Science Program project named "Metascalable layered material genome". Key algorithmic and computing techniques incorporated are: (1) globally-scalable and locally-fast solvers within a linear-scaling divide-conquer-recombine algorithmic framework; (2) algebraic `BLASification' of computational kernels; and (3) data alignment and loop restructuring, along with register and cache blocking, for enhanced vectorization and efficient memory access. The resulting weak-scaling parallel efficiency was 0.93 on 131,072 Intel Xeon Phi cores for a 56.6 million atom (or 169 million valence-electron) system, whereas the various code transformations achieved 5-fold speedup. The optimized simulation engine allowed us for the first time to establish a significant effect of substrate on the dynamics of layered material upon electronic excitation.

Algebraic BLASification↗

Optimization of structures undergoing harmonic or stochastic excitation

The optimal design was investigated of simple structures subjected to dynamic loads, with constraints on the structures' responses. Optimal designs were examined for one dimensional structures excited by harmonically oscillating loads, similar structures excited by white noise, and a wing in the presence of continuous atmospheric turbulence. The first has constraints on the maximum allowable stress while the last two place bounds on the probability of failure of the structure. Approximations were made to replace the time parameter with a frequency parameter. For the first problem, this involved the steady state response, and in the remaining cases, power spectral techniques were employed to find the root mean square values of the responses. Optimal solutions were found by using computer algorithms which combined finite elements methods with optimization techniques based on mathematical programming. It was found that the inertial loads for these dynamic problems result in optimal structures that are radically different from those obtained for structures loaded statically by forces of comparable magnitude.

Johnson, E. H.↗

Techniques for generating highly reliable redundant systems.

A simple heuristic algorithm for designing highly reliable modularly redundant computer systems under complexity constraints is presented. The technique, which produces near optimal solutions, is intuitively appealing and easy to apply. The algorithms performance is shown to compare very well with the optimal solution obtained via a computerized model for dynamic programming.

White, J. B.↗

A forward method for optimal stochastic nonlinear and adaptive control

A computational approach is taken to solve the optimal nonlinear stochastic control problem. The approach is to systematically solve the stochastic dynamic programming equations forward in time, using a nested stochastic approximation technique. Although computationally intensive, this provides a straightforward numerical solution for this class of problems and provides an alternative to the usual dimensionality problem associated with solving the dynamic programming equations backward in time. It is shown that the cost degrades monotonically as the complexity of the algorithm is reduced. This provides a strategy for suboptimal control with clear performance/computation tradeoffs. A numerical study focusing on a generic optimal stochastic adaptive control example is included to demonstrate the feasibility of the method.

Bayard, David S.↗

CSRI Summer Proceedings 2021

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia National Laboratories for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researches to learn about problems in computer and computational science at DOE laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, algebraic preconditioners, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, validation and verification methods, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers, beyond Moore’s Law computing, exascale computing tools and application design, reduced order and multiscale modeling, parallel input/output, and theoretical computer science. The CSRI Summer Program is organized by CSRI and includes a weekly seminar series and the publication of a summer proceedings.

97 MATHEMATICS AND COMPUTING↗

CSRI Summer Proceedings 2021

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia National Laboratories for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researches to learn about problems in computer and computational science at DOE laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, algebraic preconditioners, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, validation and verification methods, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers, beyond Moore’s Law computing, exascale computing tools and application design, reduced order and multiscale modeling, parallel input/output, and theoretical computer science. The CSRI Summer Program is organized by CSRI and includes a weekly seminar series and the publication of a summer proceedings.

97 MATHEMATICS AND COMPUTING↗

Planning Satellite Swarm Measurements for Climate Models: Comparing Dynamic Constraint Processing and MILP Methods

We present D-SHIELD, a challenging climate science application to plan coordinated measurements (observations) for a constellation of satellites, each containing two different sensors, each with 61 pointing angle options. The L-band and P-band radar sensors collect data fed into a soil moisture model which tracks and predicts soil moisture across 1.67 million Ground Positions (GP). Soil moisture is an important predictor of wildfires, and then a predictor of floods, landslides and debris flow after a fire. Each measurement covers multiple GP due to the sensor footprint. Each GP has a "model error" which represents the uncertainty of the the soil moisture state prediction. Model error changes at different rates for each GP as the time since last observation increases and after significant events like rain. The planner's goal is to select measurements which maximize soil moisture model improvement (reduce model uncertainty). This problem is combinatorically explosive, involving many degrees of freedom for planner choices. Good domain heuristics can find solutions within a reasonable time for our application needs but cannot be proven optimal. In this paper we compare two different planning approaches to this problem: Dynamic Constraint Processing (DCP) and Mixed Integer Linear Programming (MILP). We match inputs and metrics for both DCP and MILP algorithms to enable a direct apples-to-apples comparison. We demonstrate and discuss the trades between DCP flexibility and performance vs. MILP's promise of provable optimality.

Rich Levinson↗

Inversion Algorithms for Water Vapor Radiometers Operating at 20.7 and 31.4 Ghz

Eight water vapor radiometers (WVRs) were constructed as research and development tools to support the Advanced System Programs in the Deep Space Network and the Crustal Dynamics Project. These instruments are intended to operate at the stations of the Deep Space Network (DSN), various radio observatories, and obile facilities that participate in very long baseline interferometric (VLBI) experiments. It is expected that the WVRs will operate in a wide range of meteorological conditions. Several algorithms are discussed that are used to estimate the line-of-sight path delay due to water vapor and columnar liquid water rom the observed microwave brightness temperatures provided by the WVRs. In particular, systematic effects due to site and seasonal variations are examined. The accuracy of the estimation as indicated by a simulation calculation is approximately 0.3 cm for a noiseless WVR in clear and moderately cloudy weather. With a realistic noise model of WVR behavior, the inversion accuracy is approximately 0.6 cm.

Resch, G. M.↗

Adaptive Augmenting Control Flight Characterization Experiment on an F/A-18

This paper summarizes the Adaptive Augmenting Control (AAC) flight characterization experiments performed using an F/A-18 (TN 853). AAC was designed and developed specifically for launch vehicles, and is currently part of the baseline autopilot design for NASA's Space Launch System (SLS). The scope covered here includes a brief overview of the algorithm (covered in more detail elsewhere), motivation and benefits of flight testing, top-level SLS flight test objectives, applicability of the F/A-18 as a platform for testing a launch vehicle control design, test cases designed to fully vet the AAC algorithm, flight test results, and conclusions regarding the functionality of AAC. The AAC algorithm developed at Marshall Space Flight Center is a forward loop gain multiplicative adaptive algorithm that modifies the total attitude control system gain in response to sensed model errors or undesirable parasitic mode resonances. The AAC algorithm provides the capability to improve or decrease performance by balancing attitude tracking with the mitigation of parasitic dynamics, such as control-structure interaction or servo-actuator limit cycles. In the case of the latter, if unmodeled or mismodeled parasitic dynamics are present that would otherwise result in a closed-loop instability or near instability, the adaptive controller decreases the total loop gain to reduce the interaction between these dynamics and the controller. This is in contrast to traditional adaptive control logic, which focuses on improving performance by increasing gain. The computationally simple AAC attitude control algorithm has stability properties that are reconcilable in the context of classical frequency-domain criteria (i.e., gain and phase margin). The algorithm assumes that the baseline attitude control design is well-tuned for a nominal trajectory and is designed to adapt only when necessary. Furthermore, the adaptation is attracted to the nominal design and adapts only on an as-needed basis (see Figure 1). The MSFC algorithm design was formulated during the Constellation Program and reached a high maturity level during SLS through simulation-based development and internal and external analytical review. The AAC algorithm design has three summary-level objectives: (1) "Do no harm;" return to baseline control design when not needed, (2) Increase performance; respond to error in ability of vehicle to track command, and (3) Regain stability; respond to undesirable control-structure interaction or other parasitic dynamics. AAC has been successfully implemented as part of the Space Launch System baseline design, including extensive testing in high-fidelity 6-DOF simulations the details of which are described in [1]. The Dryden Flight Research Center's F/A-18 Full-Scale Advanced Systems Testbed (FAST) platform is used to conduct an algorithm flight characterization experiment intended to fully vet the aforementioned design objectives. FAST was specifically designed with this type of test program in mind. The onboard flight control system has full-authority experiment control of ten aerodynamic effectors and two throttles. It has production and research sensor inputs and pilot engage/disengage and real-time configuration of up to eight different experiments on a single flight. It has failure detection and automatic reversion to fail-safe mode. The F/A-18 aircraft has an experiment envelope cleared for full-authority control and maneuvering and exhibits characteristics for robust recovery from unusual attitudes and configurations aided by the presence of a qualified test pilot. The F/A-18 aircraft has relatively high mass and inertia with exceptional performance; the F/A-18 also has a large thrust-to-weight ratio, owing to its military heritage. This enables the simulation of a portion of the ascent trajectory with a high degree of dynamic similarity to a launch vehicle, and the research flight control system can simulate unstable longitudinal dynamics. Parasitic dynamics such as slosh and bending modes, as well as atmospheric disturbances, are being produced by the airframe via modification of bending filters and the use of secondary control surfaces, including leading and trailing edge flaps, symmetric ailerons, and symmetric rudders. The platform also has the ability to inject signals in flight to simulate structural mode resonances or other challenging dynamics. This platform also offers more test maneuvers and longer maneuver times than a single rocket or missile test, which provides ample opportunity to fully and repeatedly exercise all aspects of the algorithm. Prior to testing on an F/A-18, AAC was the only component of the SLS autopilot design that had not been flight tested. The testing described in this paper raises the Technology Readiness Level (TRL) early in the SLS Program and is able to demonstrate its capabilities and robustness in a flight environment.

VanZwieten, Tannen S.↗

Instrumentation, performance visualization, and debugging tools for multiprocessors

The need for computing power has forced a migration from serial computation on a single processor to parallel processing on multiprocessor architectures. However, without effective means to monitor (and visualize) program execution, debugging, and tuning parallel programs becomes intractably difficult as program complexity increases with the number of processors. Research on performance evaluation tools for multiprocessors is being carried out at ARC. Besides investigating new techniques for instrumenting, monitoring, and presenting the state of parallel program execution in a coherent and user-friendly manner, prototypes of software tools are being incorporated into the run-time environments of various hardware testbeds to evaluate their impact on user productivity. Our current tool set, the Ames Instrumentation Systems (AIMS), incorporates features from various software systems developed in academia and industry. The execution of FORTRAN programs on the Intel iPSC/860 can be automatically instrumented and monitored. Performance data collected in this manner can be displayed graphically on workstations supporting X-Windows. We have successfully compared various parallel algorithms for computational fluid dynamics (CFD) applications in collaboration with scientists from the Numerical Aerodynamic Simulation Systems Division. By performing these comparisons, we show that performance monitors and debuggers such as AIMS are practical and can illuminate the complex dynamics that occur within parallel programs.

Yan, Jerry C.↗

Dynamic Airspace Configuration

In air traffic management systems, airspace is partitioned into regions in part to distribute the tasks associated with managing air traffic among different systems and people. These regions, as well as the systems and people allocated to each, are changed dynamically so that air traffic can be safely and efficiently managed. It is expected that new air traffic control systems will enable greater flexibility in how airspace is partitioned and how resources are allocated to airspace regions. In this talk, I will begin by providing an overview of some previous work and open questions in Dynamic Airspace Configuration research, which is concerned with how to partition airspace and assign resources to regions of airspace. For example, I will introduce airspace partitioning algorithms based on clustering, integer programming optimization, and computational geometry. I will conclude by discussing the development of a tablet-based tool that is intended to help air traffic controller supervisors configure airspace and controllers in current operations.

airspace↗

Convex Optimization for Nonequilibrium Steady States on a Hybrid Quantum Processor

Finding the transient and steady state properties of open quantum systems is a central problem in various fields of quantum technologies. Here, in this work, we present a quantum-assisted algorithm to determine the steady states of open system dynamics. By reformulating the problem of finding the fixed point of Lindblad dynamics as a feasibility semidefinite program, we bypass several well-known issues with variational quantum approaches to solving for steady states. We demonstrate that our hybrid approach allows us to estimate the steady states of higher dimensional open quantum systems and discuss how our method can find multiple steady states for systems with symmetries.

97 MATHEMATICS AND COMPUTING↗