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DOE OSTI2017

Design and implementation of HuREX analysis supporting interface - 171

Human error is recognized as one of the main causes to affect to the socio-technical system including nuclear power plant. Therefore, reducing human error through human reliability analysis (HRA) is a critical issue. Moreover, sufficient and reliable human performance data collection is a prerequisite for ensuring the safety of nuclear power plants. Korea Atomic Energy Research Institute developed the HuREX (Human Reliability data Extraction) framework to collect and analyze the responses of human operators from simulator training records of nuclear power plant. Thus, the development and computer software interfaces of the database are essential to efficiently support human reliability analysis. In this study, OPERA database was developed in accordance with the following process. First, the essential data required for the HRA analysis (e.g., plant data, procedures, system and equipment info, operating crews, results of simulator experiments, and so forth) was stored in the database. In addition, standardized procedures and related items were stored in the database to support HRA quantification. A data structure was developed to store crew responses conducted by operators to cope with an emergency situation during simulator experiments. In addition, various interfaces that escalate efficiency of the HuREX applications were developed. The HuREX analysis support interface was developed with HuREX Video Analyzer for observation of simulator collection data (e.g., audio-visual records, plant parameters, operator's action logs) and HuREX Data Analyzer for analysis of operator's conducted task. By using the OPERA database and HuREX analysis support interface developed through this research, maximizing the efficiency of human reliability analysis based on simulator training data. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRSDate not supplied

A Verification Framework for Runtime Assurance of Autonomous UAS

Runtime Assurance (RTA) is a design-time architecture for safety-critical systems where an internal monitor acts upon detecting a violation of a property. The simplex architecture is an instance of RTA, where the action taken is to hand control of the overall system to a trusted controller when an untrusted one violates a safety property. Simplex RTA is emerging as a method for allowing AI/ML and other unverified software to be integrated into safety-critical applications like aircraft. To this end, the American Society for Testing and Materials (ASTM) and NASA have each published guidelines on the use of RTA in such systems. In the simplex RTA framework, a system has an advanced controller (AC) and a reversionary controller (RC). The system is allowed to operate with the AC until a runtime monitor detects that some property has been violated and then the RC takes over. Assuming that the sample rate of the monitor will detect improper functioning with enough time for the RC to correct the impending problem, and that the RC is trusted, the system will operate as intended. This use of the simplex RTA framework can allow for the integration of untrusted, but possibly more performant, controllers in a safe way. This paper presents a formalization of a simplex RTA framework in the Prototype Verification System (PVS) theorem prover using an embedding of differential dynamic logic (DDL) called Plaidypvs. A novel feature of this framework is that it can be instantiated at different levels of abstraction. This feature allows for the formal verification of a system with an untrusted black box component, such as an AI/ML controller. This paper does not address the many difficulties in deploying RTA in an industrial-level system. Instead, the focus is on the formal verification of the simplex RTA framework in the language of hybrid programs. Hybrid programs are programs that include both discrete and continuous dynamics and can be used to model complex cyber-physical systems. Plaidypvs is a tool that enables formalization of hybrid programs in the PVS theorem prover. Plaidypvs enables the verification of the general simplex RTA framework and then, by specializing some components of the hybrid program, verifying instances of the framework while treating the untrusted component as a black box. A selection of Unmanned Aircraft Systems (UAS) operations are shown as instances of the general RTA framework in PVS. This offers the benefit of design time verification of relevant safety properties to the system, and it also gives requirements on the sample rate of sensors that determine the time interval in which the ‘switch’ property of the RTA framework is checked.

PVS↗

NASA NTRS1989

Algorithms and software for nonlinear structural dynamics

The objective of this research is to develop efficient methods for explicit time integration in nonlinear structural dynamics for computers which utilize both concurrency and vectorization. As a framework for these studies, the program WHAMS, which is described in Explicit Algorithms for the Nonlinear Dynamics of Shells (T. Belytschko, J. I. Lin, and C.-S. Tsay, Computer Methods in Applied Mechanics and Engineering, Vol. 42, 1984, pp 225 to 251), is used. There are two factors which make the development of efficient concurrent explicit time integration programs a challenge in a structural dynamics program: (1) the need for a variety of element types, which complicates the scheduling-allocation problem; and (2) the need for different time steps in different parts of the mesh, which is here called mixed delta t integration, so that a few stiff elements do not reduce the time steps throughout the mesh.

Belytschko, Ted↗

DOE OSTI2022

A Common Tracking Software Project

Abstract The reconstruction of the trajectories of charged particles, or track reconstruction, is a key computational challenge for particle and nuclear physics experiments. While the tuning of track reconstruction algorithms can depend strongly on details of the detector geometry, the algorithms currently in use by experiments share many common features. At the same time, the intense environment of the High-Luminosity LHC accelerator and other future experiments is expected to put even greater computational stress on track reconstruction software, motivating the development of more performant algorithms. We present here A Common Tracking Software (ACTS) toolkit, which draws on the experience with track reconstruction algorithms in the ATLAS experiment and presents them in an experiment-independent and framework-independent toolkit. It provides a set of high-level track reconstruction tools which are agnostic to the details of the detection technologies and magnetic field configuration and tested for strict thread-safety to support multi-threaded event processing. We discuss the conceptual design and technical implementation of ACTS, selected applications and performance of ACTS, and the lessons learned.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2009

Proceedings of the First NASA Formal Methods Symposium

Topics covered include: Model Checking - My 27-Year Quest to Overcome the State Explosion Problem; Applying Formal Methods to NASA Projects: Transition from Research to Practice; TLA+: Whence, Wherefore, and Whither; Formal Methods Applications in Air Transportation; Theorem Proving in Intel Hardware Design; Building a Formal Model of a Human-Interactive System: Insights into the Integration of Formal Methods and Human Factors Engineering; Model Checking for Autonomic Systems Specified with ASSL; A Game-Theoretic Approach to Branching Time Abstract-Check-Refine Process; Software Model Checking Without Source Code; Generalized Abstract Symbolic Summaries; A Comparative Study of Randomized Constraint Solvers for Random-Symbolic Testing; Component-Oriented Behavior Extraction for Autonomic System Design; Automated Verification of Design Patterns with LePUS3; A Module Language for Typing by Contracts; From Goal-Oriented Requirements to Event-B Specifications; Introduction of Virtualization Technology to Multi-Process Model Checking; Comparing Techniques for Certified Static Analysis; Towards a Framework for Generating Tests to Satisfy Complex Code Coverage in Java Pathfinder; jFuzz: A Concolic Whitebox Fuzzer for Java; Machine-Checkable Timed CSP; Stochastic Formal Correctness of Numerical Algorithms; Deductive Verification of Cryptographic Software; Coloured Petri Net Refinement Specification and Correctness Proof with Coq; Modeling Guidelines for Code Generation in the Railway Signaling Context; Tactical Synthesis Of Efficient Global Search Algorithms; Towards Co-Engineering Communicating Autonomous Cyber-Physical Systems; and Formal Methods for Automated Diagnosis of Autosub 6000.

Denney, Ewen↗

DOE OSTI2014

ARM Data Integrator

The Atmospheric Radiation Measurement (ARM) Data Integrator (ADI) streamlines the development of scientific algorithms and analysis of time-series NetCDF data, and improves the content and consistency of the output data products produced by these algorithms. The framework automates the process of retrieving and preparing data for analysis, and allows users to design output data products through a graphical interface. It also provides a modular, flexible software development architecture that scientists can use to generate C, Python, and IDL source code templates that embed the pre and post processing logic allowing the scientist to focus on only their science. The input data, preprocessing, and output data specifications of algorithms are defined through a graphical interface and stored in a database. ADI implements workflow for data integration and supports user access to data through a library of software modules. Data preprocess capabilities supported include automated retrieval of data from input files, merging the retrieved data into appropriately sized chunks, and transformation of the data onto a common coordinate system grid. Through the graphical interface, users can view the details of both their data products and those in the ARM catalog and allows developers to use existing data product to build new data products. Views of the output data products include an overlay of how the design meets ARM archive's data standards providing the user with a visual cue indicating where their output violates an archive standard. The ADI libraries access the information provided through the GUI via a Postgres database. The ADI framework and its supporting components can significantly decrease the time and cost of implementing scientific algorithms while improving the ability of scientists to disseminate their results.

Source record↗

DOE OSTI2014

ARM Data Integrator

Source record↗

DOE OSTI2022

A symbolic framework to obtain mid-fidelity models of flexible multibody systems with application to horizontal-axis wind turbines

Abstract. The article presents a symbolic framework (also called computer algebra program) that is used to obtain, in symbolic mathematical form, the linear and nonlinear equations of motion of a mid-fidelity multibody system including rigid and flexible bodies. Our approach is based on Kane's method and a nonlinear shape function representation for flexible bodies. The shape function approach does not represent the state of the art for flexible multibody dynamics but is an effective trade-off to obtain mid-fidelity models with few degrees of freedom, taking advantage of the separation of space and time. The method yields compact symbolic equations of motion with implicit account of the constraints. The general and automatic framework facilitates the creation and manipulation of models with various levels of complexity by adding or removing degrees of freedom. The symbolic treatment allows for analytical gradients and linearized equations of motion. The linear and nonlinear equations can be exported to Python code or dedicated software. There are multiple applications, such as time domain simulation, stability analyses, frequency domain analyses, advanced controller design, state observers, and digital twins. In this article, we describe the method we used to systematically generate the equations of motion of multibody systems and present the implementation of the framework using the Python package SymPy. We apply the framework to generate illustrative land-based and offshore wind turbine models. We compare our results with OpenFAST simulations and discuss the advantages and limitations of the method. The Python implementation is provided as an open-source project.

Branlard, Emmanuel (ORCID:0000000277506128)↗

NASA NTRS2002

Distributed Framework for Dynamic Telescope and Instrument Control

Traditionally, instrument command and control systems have been developed specifically for a single instrument. Such solutions are frequently expensive and are inflexible to support the next instrument development effort. NASA Goddard Space Flight Center is developing an extensible framework, known as Instrument Remote Control (IRC) that applies to any kind of instrument that can be controlled by a computer. IRC combines the platform independent processing capabilities of Java with the power of the Extensible Markup Language (XML). A key aspect of the architecture is software that is driven by an instrument description, written using the Instrument Markup Language (IML). IML is an XML dialect used to describe graphical user interfaces to control and monitor the instrument, command sets and command formats, data streams, communication mechanisms, and data processing algorithms. The IRC framework provides the ability to communicate to components anywhere on a network using the JXTA protocol for dynamic discovery of distributed components. JXTA (see httD://www.jxta.org,) is a generalized protocol that allows any devices connected by a network to communicate in a peer-to-peer manner. IRC uses JXTA to advertise a device's IML and discover devices of interest on the network. Devices can join or leave the network and thus join or leave the instrument control environment of IRC. Currently, several astronomical instruments are working with the IRC development team to develop custom components for IRC to control their instruments. These instruments include: High resolution Airborne Wideband Camera (HAWC), a first light instrument for the Stratospheric Observatory for Infrared Astronomy (SOFIA); Submillimeter And Far Infrared Experiment (SAFIRE), a Principal Investigator instrument for SOFIA; and Fabry-Perot Interferometer Bolometer Research Experiment (FIBRE), a prototype of the SAFIRE instrument, used at the Caltech Submillimeter Observatory (CSO). Most recently, we have been working with the Submillimetre High Angular Resolution Camera IInd Generation (SHARCII) at the CSO to investigate using IRC capabilities with the SHARC instrument.

Ames, Troy J.↗

NASA NTRS2009

Baseline Assessment and Prioritization Framework for IVHM Integrity Assurance Enabling Capabilities

Fundamental to vehicle health management is the deployment of systems incorporating advanced technologies for predicting and detecting anomalous conditions in highly complex and integrated environments. Integrated structural integrity health monitoring, statistical algorithms for detection, estimation, prediction, and fusion, and diagnosis supporting adaptive control are examples of advanced technologies that present considerable verification and validation challenges. These systems necessitate interactions between physical and software-based systems that are highly networked with sensing and actuation subsystems, and incorporate technologies that are, in many respects, different from those employed in civil aviation today. A formidable barrier to deploying these advanced technologies in civil aviation is the lack of enabling verification and validation tools, methods, and technologies. The development of new verification and validation capabilities will not only enable the fielding of advanced vehicle health management systems, but will also provide new assurance capabilities for verification and validation of current generation aviation software which has been implicated in anomalous in-flight behavior. This paper describes the research focused on enabling capabilities for verification and validation underway within NASA s Integrated Vehicle Health Management project, discusses the state of the art of these capabilities, and includes a framework for prioritizing activities.

Cooper, Eric G.↗

DOE OSTI2014

IOPro: a parallel I/O profiling and visualization framework for high-performance storage systems

Efficient execution of large-scale scientific applications requires high-performance computing systems designed to meet the I/O requirements. To achieve high-performance, such data-intensive parallel applications use a multi-layer layer I/O software stack, which consists of high-level I/O libraries such as PnetCDF and HDF5, the MPI library, and parallel file systems. To design efficient parallel scientific applications, understanding the complicated flow of I/O operations and the involved interactions among the libraries is quintessential. Such comprehension helps identify I/O bottlenecks and thus exploits the potential performance in different layers of the storage hierarchy. To profile the performance of individual components in the I/O stack and to understand complex interactions among them, we have implemented a GUI-based integrated profiling and analysis framework, IOPro. IOPro automatically generates an instrumented I/O stack, runs applications on it, and visualizes detailed statistics based on the user-specified metrics of interest. We present experimental results from two different real-life applications and show how our framework can be used in practice. By generating an end-to-end trace of the whole I/O stack and pinpointing I/O interference, IOPro aids in understanding I/O behavior and improving the I/O performance significantly.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Enhanced Data Efficiency Using Deep Neural Networks and Gaussian Processes for Aerodynamic Design Optimization

Adjoint-based optimization methods are attractive for aerodynamic shape design primarily due to their computational costs being independent of the dimensionality of the input space and their ability to generate high-fidelity gradients that can then be used in a gradient-based optimizer. This makes them very well suited for high-fidelity simulation based aerodynamic shape optimization of highly parametrized geometries such as aircraft wings. However, the development of adjoint-based solvers involve careful mathematical treatment and their implementation require detailed software development. Furthermore, they can become prohibitively expensive when multiple optimization problems are being solved, each requiring multiple restarts to circumvent local optima. In this work, we propose a machine learning enabled, surrogate-based framework that replaces the expensive adjoint solver, without compromising on predicting predictive accuracy. Specifically, we first train a deep neural network (DNN) from training data generated from evaluating the high-fidelity simulation model on a model-agnostic design of experiments on the geometry shape parameters. The optimum shape may then be computed by using a gradient-based optimizer coupled with the trained DNN. Subsequently, we also perform a gradient-free Bayesian optimization, where the trained DNN is used as the prior mean. We observe that the latter framework (DNN-BO) improves upon the DNN-only based optimization strategy for the same computational cost. Overall, this framework predicts the true optimum with very high accuracy, while requiring far fewer high-fidelity function calls compared to the adjoint-based method. Furthermore, we show that multiple optimization problems can be solved with the same machine learning model with high accuracy, to amortize the offline costs associated with constructing our models. Our methodology finds applications in the early stages of aerospace design. (C) 2021 Published by Elsevier Masson SAS.

Renganathan, S. Ashwin↗

DOE OSTI2025

CASM Monte Carlo: Calculations of the thermodynamic and kinetic properties of complex multicomponent crystals

Monte Carlo techniques play a central role in statistical mechanics approaches that connect macroscopic thermodynamic and kinetic properties to the electronic structure of a material. This paper describes the implementation of Monte Carlo techniques for the study of multicomponent crystalline materials within the Clusters Approach to Statistical Mechanics (CASM) software suite, and demonstrates their use in model systems to calculate free energies and kinetic coefficients, study phase transitions, and construct phase diagrams from first principles. Many crystal structures are complex, with multiple sublattices occupied by differing sets of chemical species, along with the presence of vacancies or interstitial species. This imposes constraints on concentration variables, the form of thermodynamic potentials, and the values of kinetic transport coefficients. The framework used by CASM to formulate thermodynamic potentials and kinetic transport coefficients accounting for arbitrarily complex crystal structures is presented and demonstrated with examples of increasing complexity. Additionally, an overview of the capabilities of the CASM software specific to Monte Carlo methods is given, and a new CASM software package is introduced, casm-flow, which helps automate the setup, submission, management, and analysis of Monte Carlo simulations.

Cluster expansion↗

DOE OSTI2018

A non-intrusive parallel-in-time approach for simultaneous optimization with unsteady PDEs

This paper presents a non-intrusive framework for integrating existing unsteady partial differential equation (PDE) solvers into a parallel-in-time simultaneous optimization algorithm. The time-parallelization is provided by the non-intrusive software library XBraid [Parallel multigrid in time, software available at http://llnl.gov/casc/xbraid], which applies an iterative multigrid reduction technique to the time domain of existing time-marching schemes for solving unsteady PDEs. Its general user-interface has been extended in [S. Günther, N.R. Gauger, and J.B. Schroder, A non-intrusive parallel-in-time adjoint solver with the XBraid library, Comput. Vis. Sci. 19 (2018), pp. 85–95. Available at arXiv, math.OC/1705.00663] for computing adjoint sensitivities such that gradients of output quantities with respect to design changes can be computed parallel-in-time alongside with the primal PDE solution. In this paper, the primal and adjoint XBraid iterations are embedded into a simultaneous optimization framework, namely the One-shot method. In this method, design updates towards optimality are employed after each state and adjoint update such that optimality and feasibility of the design and the PDE solution are reached simultaneously. Finally, the time-parallel optimization method is validated on an advection-dominated flow control problem which shows significant speedup over a classical time-serial optimization algorithm.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Development and Validation of a Geant4 Radiation Shielding Simulation Framework

Geant4 (`Geometry and Tracking') is a C++ Monte- Carlo simulation toolkit developed by the Geant4 Collaboration under CERN and is used to describe inter- actions between particles and matter. It has been shown, through significant benchmarking against physical experiments and other software, to be remarkably accurate at simulating interactions between particles and matter. Currently, Geant4 is being used on world-wide projects such as ATLAS, CMS, Muon g-2, and ILC, largely due to being accurate, open-source, and written in a modern language. This openness and modernity is striking when compared to other Monte-Carlo simulation toolkits such as the Fortran toolkit MCNP (Monte-Carlo N-Particle code), which is restricted in acquisition and use by the US government. Despite barriers in the use of MCNP and having been written in an antiquated language, MCNP is still considered industry-standard for many fields, including radiation shielding. This paper details the development and validation of a radiation shielding simulation framework in Geant4 aimed at flexibility and ease of simulations with the goal of replacing MCNP scripts.

43 PARTICLE ACCELERATORS↗

NASA NTRS2010

c5++ - Multi-Technique Analysis Software for Next Generation Geodetic Instruments

Processing of space geodetic techniques should be carried out with consistent and utmost up-todate physical models. Therefore, c5++ is being developed, which will act as a framework under which dedicated space geodetic applications can be created. Due to its nature, combination of different techniques as well as automated processing of VLBI experiments will become possible with c5++.

Hobiger, Thomas↗

DOE OSTI2022

Enabling Modular Autonomous Feedback‐Loops in Materials Science through Hierarchical Experimental Laboratory Automation and Orchestration

Abstract Materials acceleration platforms (MAPs) operate on the paradigm of integrating combinatorial synthesis, high‐throughput characterization, automatic analysis, and machine learning. Within a MAP, one or multiple autonomous feedback loops may aim to optimize materials for certain functional properties or to generate new insights. The scope of a given experiment campaign is defined by the range of experiment and analysis actions that are integrated into the experiment framework. Herein, the authors present a method for integrating many actions within a hierarchical experimental laboratory automation and orchestration (HELAO) framework. They demonstrate the capability of orchestrating distributed research instruments that can incorporate data from experiments, simulations, and databases. HELAO interfaces laboratory hardware and software distributed across several computers and operating systems for executing experiments, data analysis, provenance tracking, and autonomous planning. Parallelization is an effective approach for accelerating knowledge generation provided that multiple instruments can be effectively coordinated, which the authors demonstrate with parallel electrochemistry experiments orchestrated by HELAO. Efficient implementation of autonomous research strategies requires device sharing, asynchronous multithreading, and full integration of data management in experimental orchestration, which to the best of the authors’ knowledge, is demonstrated for the first time herein.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Numerical evaluation of the bispectrum in multiple field inflation—the transport approach with code

We present a complete framework for numerical calculation of the power spectrum and bispectrum in canonical inflation with an arbitrary number of light or heavy fields. Our method includes all relevant effects at tree-level in the loop expansion, including (i) interference between growing and decaying modes near horizon exit; (ii) correlation and coupling between species near horizon exit and on superhorizon scales; (iii) contributions from mass terms; and (iv) all contributions from coupling to gravity. We track the evolution of each correlation function from the vacuum state through horizon exit and the superhorizon regime, with no need to match quantum and classical parts of the calculation; when integrated, our approach corresponds exactly with the tree-level Schwinger or 'in-in' formulation of quantum field theory. In this paper we give the equations necessary to evolve all two- and three-point correlation functions together with suitable initial conditions. The final formalism is suitable to compute the amplitude, shape, and scale dependence of the bispectrum in models with | f {sub NL}| of order unity or less, which are a target for future galaxy surveys such as Euclid, DESI and LSST. As an illustration we apply our framework to a number of examples, obtaining quantitatively accurate predictions for their bispectra for the first time. Two accompanying reports describe publicly-available software packages that implement the method.

79 ASTRONOMY AND ASTROPHYSICS↗