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All sources NASA NTRS DOE OSTI

DOE OSTI2024

Modeling and simulation of multiphase flows

This presentation provides an overview of the National Energy Technology Laboratory’s (NETL) multiphase computational fluid dynamics codes. The highly successful Multiphase Flows with Interphase eXchanges (MFIX) suite has been used to model a wide range of applications including post-combustion carbon capture, bioreactor optimization, and bio-FCC regeneration. MFIX-Exa, a state-of-the-art CFD code, developed under DOE’s Exascale Computing Project, is built on the AMReX software framework (https://amrex-codes.github.io/) and is designed to leverage modern accelerator-based compute architectures. This presentation further reviews the underlying physical models of both MFIX and MFIX-Exa and contrasts their similarities and differences. Examples of past and present CFD simulations will illustrate how scientific computing at NETL is being used not only for scientific exploration but also for design, optimization and scale-up of multiphase flow devices.

Musser, Jordan [NETL]↗

NASA NTRS1994

The ground vehicle manager's associate

An overview of MAX, a software framework for manager's associate systems, is presented. MAX is used to develop and execute a problem-solving strategy for the task planning of semi-autonomous agents with the assistance of human performance. This paper describes the use of MAX in the supervisory management of robotic vehicles as they explore a planetary surface.

Edwards, Gary R.↗

NASA NTRS2009

Framework for ReSTful Web Services in OSGi

Ensemble ReST is a software system that eases the development, deployment, and maintenance of server-side application programs to perform functions that would otherwise be performed by client software. Ensemble ReST takes advantage of the proven disciplines of ReST (Representational State Transfer. ReST leverages the standardized HTTP protocol to enable developers to offer services to a diverse variety of clients: from shell scripts to sophisticated Java application suites

Shams, Khawaja S.↗

NASA NTRS2017

Waveform Developer's Guide for the Integrated Power, Avionics, and Software (iPAS) Space Telecommunications Radio System (STRS) Radio

The Space Telecommunications Radio System (STRS) provides a common, consistent framework for software defined radios (SDRs) to abstract the application software from the radio platform hardware. The STRS standard aims to reduce the cost and risk of using complex, configurable and reprogrammable radio systems across NASA missions. To promote the use of the STRS architecture for future NASA advanced exploration missions, NASA Glenn Research Center (GRC) developed an STRS-compliant SDR on a radio platform used by the Advance Exploration System program at the Johnson Space Center (JSC) in their Integrated Power, Avionics, and Software (iPAS) laboratory. The iPAS STRS Radio was implemented on the Reconfigurable, Intelligently-Adaptive Communication System (RIACS) platform, currently being used for radio development at JSC. The platform consists of a Xilinx(Trademark) ML605 Virtex(Trademark)-6 FPGA board, an Analog Devices FMCOMMS1-EBZ RF transceiver board, and an Embedded PC (Axiomtek(Trademark) eBox 620-110-FL) running the Ubuntu 12.4 operating system. The result of this development is a very low cost STRS compliant platform that can be used for waveform developments for multiple applications. The purpose of this document is to describe how to develop a new waveform using the RIACS platform and the Very High Speed Integrated Circuits (VHSIC) Hardware Description Language (VHDL) FPGA wrapper code and the STRS implementation on the Axiomtek processor.

Software Defined Radio↗

DOE OSTI2023

CYVET: A Cyber-Physical Assurance Framework Based on a Semi-Supervised Vetting Approach

The project is designed to directly address the needs described in the Topic Area 4 (“Cybersecurity Verification and Validation”) of the CEDS’19 Research Call. The proposed CYVET system directly addresses the need to elevate the current industry capabilities to verify and validate OT cybersecurity and associated control system infrastructure. Currently, there is a significant gap in the energy sector’s capability in that regard during infrastructure improvement, equipment procurement, and compliance certification. CYVET provides that needed capability. CYVET is device and architecture agnostic and thus broadly applicable across the energy sector. The goal of this project is to develop and deliver a cybersecurity verification and validation framework testing capability to verify and validate OT equipment, software, and the underlying control system architecture. The primary project objectives are (i) Verification: the synthesis and reconciliation of standards and vendor supplied features, (ii) Validation: the generation, execution, and presentation of testing scripts of verified security features, and (3) Demonstration: apply the developed technology capabilities for verification and validation at a relevant end-user facility in the energy sector.

Lopez Jr, Juan↗

NASA NTRS2012

Test Driven Development of Scientific Models

Test-Driven Development (TDD) is a software development process that promises many advantages for developer productivity and has become widely accepted among professional software engineers. As the name suggests, TDD practitioners alternate between writing short automated tests and producing code that passes those tests. Although this overly simplified description will undoubtedly sound prohibitively burdensome to many uninitiated developers, the advent of powerful unit-testing frameworks greatly reduces the effort required to produce and routinely execute suites of tests. By testimony, many developers find TDD to be addicting after only a few days of exposure, and find it unthinkable to return to previous practices. Of course, scientific/technical software differs from other software categories in a number of important respects, but I nonetheless believe that TDD is quite applicable to the development of such software and has the potential to significantly improve programmer productivity and code quality within the scientific community. After a detailed introduction to TDD, I will present the experience within the Software Systems Support Office (SSSO) in applying the technique to various scientific applications. This discussion will emphasize the various direct and indirect benefits as well as some of the difficulties and limitations of the methodology. I will conclude with a brief description of pFUnit, a unit testing framework I co-developed to support test-driven development of parallel Fortran applications.

Clune, Thomas L.↗

NASA NTRS2001

Using XML and Java Technologies for Astronomical Instrument Control

Traditionally, instrument command and control systems have been highly specialized, consisting mostly of custom code that is difficult to develop, maintain, and extend. Such solutions are initially very costly and are inflexible to subsequent engineering change requests, increasing software maintenance costs. Instrument description is too tightly coupled with details of implementation. NASA Goddard Space Flight Center, under the Instrument Remote Control (IRC) project, is developing a general and highly extensible framework that applies to any kind of instrument that can be controlled by a computer. The software architecture combines the platform independent processing capabilities of Java with the power of the Extensible Markup Language (XML), a human readable and machine understandable way to describe structured data. A key aspect of the object-oriented architecture is that the software is driven by an instrument description, written using the Instrument Markup Language (IML), a dialect of XML. IML is used to describe the command sets and command formats of the instrument, communication mechanisms, format of the data coming from the instrument, and characteristics of the graphical user interface to control and monitor the instrument. The IRC framework allows the users to define a data analysis pipeline which converts data coming out of the instrument. The data can be used in visualizations in order for the user to assess the data in real-time, if necessary. The data analysis pipeline algorithms can be supplied by the user in a variety of forms or programming languages. Although the current integration effort is targeted for the High-resolution Airborne Wideband Camera (HAWC) and the Submillimeter and Far Infrared Experiment (SAFIRE), first-light instruments of the Stratospheric Observatory for Infrared Astronomy (SOFIA), the framework is designed to be generic and extensible so that it can be applied to any instrument. Plans are underway to test the framework with other types of instruments, such as remote sensing earth science instruments.

Ames, Troy↗

DOE OSTI2023

ERF: Energy Research and Forecasting

The Energy Research and Forecasting (ERF) code is a new model that simulates the mesoscale and microscale dynamics of the atmosphere using the latest high-performance computing architectures. It employs hierarchical parallelism using an MPI+X model, where X may be OpenMP on multicore CPU-only systems, or CUDA, HIP, or SYCL on GPU-accelerated systems. ERF is built on AMReX (Zhang et al., 2019, 2021), a block-structured adaptive mesh refinement (AMR) software framework that provides the underlying performance-portable software infrastructure for block-structured mesh operations. The "energy" aspect of ERF indicates that the software has been developed with renewable energy applications in mind. In addition to being a numerical weather prediction model, ERF is designed to provide a flexible computational framework for the exploration and investigation of different physics parameterizations and numerical strategies, and to characterize the flow field that impacts the ability of wind turbines to extract wind energy. The ERF development is part of a broader effort led by the US Department of Energy's Wind Energy Technologies Office.

17 WIND ENERGY↗

DOE OSTI2025

Flexible and Effective Object Tiering for Heterogeneous Memory Systems

Computing platforms that package multiple types of memory, each with their own performance characteristics, are quickly becoming mainstream. To operate efficiently, heterogeneous memory architectures require new data management solutions that are able to match the needs of each application with an appropriate type of memory. As the primary generators of memory usage, applications create a great deal of information that can be useful for guiding memory management, but the community still lacks tools to collect, organize, and leverage this information effectively. To address this gap, this work introduces a novel software framework that collects and analyzes object-level information to guide memory tiering. The framework includes tools to monitor the capacity and usage of individual data objects, routines that aggregate and convert this information into tier recommendations for the host platform, and mechanisms to enforce these recommendations according to user-selected policies. Moreover, the developed tools and techniques are fully automatic, work on standard Linux systems, and do not require modification or recompilation of existing software. Using this framework, this study evaluates and compares the impact of a variety of design choices for memory tiering, including different policies for prioritizing objects for the fast memory tier as well as the frequency and timing of migration events. In conclusion, the results, collected on a modern Intel platform with conventional DDR4 SDRAM as well as Intel Optane NVRAM, show that guiding data tiering with object-level information can enable significant performance and efficiency benefits compared with standard hardware- and software-directed data-tiering strategies for a diverse set of memory-intensive workloads.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Slow control and data acquisition systems in the Mu2e experiment

The Mu2e experiment at the Fermilab Muon Campus will search for the coherent neutrinolessconversion of a muon into an electron in the field of an aluminum nucleus with a sensitivityimprovement by a factor of 10,000 over existing limits. The Mu2e Trigger and Data AcquisitionSystem (TDAQ) usesotsdaqas the online Data Acquisition System (DAQ) solution. Developed atFermilab,otsdaqintegrates both theartdaqDAQ and theartanalysis frameworks for event transfer,filtering, and processing.otsdaqis an online DAQ software suite with a focus on flexibility andscalability and provides a multi-user, web-based, interface accessible through a web browser. Thedata stream from the detector subsystems is read by a software filter algorithm that selects eventswhich are combined with the data flux coming from a Cosmic Ray Veto System. The DetectorControl System (DCS) has been developed using the Experimental Physics and Industrial ControlSystem (EPICS) open source platform for monitoring, controlling, alarming, and archiving. TheDCS System has been integrated intootsdaq. A prototype of the TDAQ and the DCS systems hasbeen built at Fermilab’s Feynman Computing Center. In this paper, we report on the progress ofthe integration of this prototype in the onlineotsdaqsoftware.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Online DAQ and slow control interface for the Mu2e experiment

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

An Open-Source Framework for the Computational Analysis and Design of Autothermal Chemical Processes

The main project object was to develop software tools for simulating non-equilibrium autothermal processes, improving the prospects for identifying and designing such systems. The project demonstrates the use of these tools to simulate autothermal pyrolysis, a process recently developed at the pilot-plant scale at Iowa State University. In such process, instead of externally heating a reactor to pro-vide the enthalpy of pyrolysis, sufficient oxygen in the form of air is introduced into the reactor to support partial oxidation of reactants and products with the exothermic energy released supporting endothermic pyrolysis reactions. A fluidized bed is used to assure good mixing of biomass and oxidant and provide an isothermal reaction environment. The amount of oxygen required depends upon the kind of biomass being pyrolyzed and parasitic heat losses from the reactor. For example, for woody biomass pyrolyzed under conditions that simulate adiabatic operation, equivalence ratios can be as low as 0.06, compared to 0.20 or higher for autothermal gasifiers. By removing the heat transfer bottleneck of conventional pyrolysis, operation in autothermal mode allowed a significant increase in reactor throughput process, approaching five times the throughput of the conventionally operated pyrolyzer. Different simulation strategies were considered and developed: a zero-dimensional chemistry model was used to verify the applicability of kinetic schemes to predict biomass fast pyrolysis in autothermal conditions. Conventional chemical reactor models such as the plug flow reactor and the partially stirred reactor were used to investigate the role of mixing in the fluidized bed pyrolyzer and to establish the impact of mixing time on the gas-phase reactions. A comprehensive multiphase computational fluid dynamics (mCFD) framework, including polydisperse granular phase modeling and detailed chemical kinetics was formulated and used to model the experimental setup for autothermal biomass fast pyrolysis at ISU. Multiphase CFD was also used to investigate the role of biomass feed positioning on the mixing of biomass in the pyrolizer. Finally, a reduced order model (ROM), suitable to be implemented in process simulators was obtained. Both the mCFD and the ROM were validated against experiments.

09 BIOMASS FUELS↗

DOE OSTI2019

PRISMS-Plasticity: An open-source crystal plasticity finite element software

An open-source parallel 3-D crystal plasticity finite element (CPFE) software package PRISMS-Plasticity is presented here as a part of PRISMS integrated framework. A highly efficient rate-independent crystal plasticity algorithm is implemented along with developing its algorithmic tangent modulus. Additionally, a twin activation mechanism is incorporated into the framework based on an integration point sensitive scheme. The integration of the software as a part of the PRISMS framework is demonstrated. To do so, the integration of the PRISMS-Plasticity software with experimental characterization techniques such as electron backscatter diffraction (EBSD) and synchrotron X-ray diffraction using available open source software packages of DREAM.3D and Neper is elaborated. The integration of the PRISMS-Plasticity software with the information repository of Materials Commons is also presented. The parallel performance of the software is characterized which demonstrates that it scales well for large problems running on hundreds of processors. Various examples of polycrystalline metals with face-centered cubic (FCC), body-centered cubic (BCC), and hexagonal close-packed (HCP) crystals structures are presented to show the capability of the software to efficiently solve crystal plasticity boundary value problems, in addition to integration with preprocessing and postprocessing tools. PRISMS-Plasticity is an important activity within the broader PRISMS Center and future enhancements to PRISMS-Plasticity are planned and will be described.

36 MATERIALS SCIENCE↗

DOE OSTI2016

ADC evaluation boards design and test framework for LCLS-II precision receiver

In the low-level RF control field, ADC acquisition accuracy and noise set the boundary of our control ability, making it important to develop low-noise acquisition systems. From the design to test stage, all the noise terms should be understood and characterized. The specific need addressed here is the precision acquisition system for the second Linac Coherent Light Source (LCLS-II), led by SLAC National Accelerator Laboratory. Test circuit boards for the LTC2174 and AD9268 ADCs are designed and fabricated by LBNL. An ADC test framework based on FPGA evaluation board to assess performance has been developed. The ADC test framework includes both DSP (Digital Signal Processing) firmware and processing software. It is useful for low-level RF control and other synchronization projects. Investigating the clock jitter between two channels give us an understanding of that noise source. Working with the test framework, the raw ADC data are transferred to a computer through a Gigabit Ethernet interface. Then short-term error signal can be calculated based on a sine wave fit. By changing low-pass filter bandwidth, relative long-term performance can also be obtained. Amplitude jitter and differential phase jitter are the key issues for ADCs. This paper will report the test results for LTC2174 and AD9268 chips. The integral amplitude jitter is smaller than 0.003 %, and the integral phase noise is smaller than 0.0015° (measured at 47 MHz RF, 100 MHz clock, bandwidth 1 Hz to 100 kHz) for both ADC chips.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Saddle point search with dynamic active volume

Sampling potential energy surface (PES) is critical for many problems in materials science, chemistry, physics, and biology and requires highly efficient saddle point searches (SPS). In the study, we introduce the concept of dynamic active volume (DAV) in addition to the active volume in self-evolving atomistic kinetic Monte Carlo (SEAKMC). The DAV method has further reduced the dimensionality of the PES at the elevation stage of a SPS. At the subsequent converging stage, the dynamic boundary in DAV is lifted to allow the system to converge to the right location of a saddle point. Coupled with the dimer method, the DAV method not only significantly reduces the time cost for a given search attempt, but also dramatically increases the probability of finding relevant saddle points for PES sampling. Further, a Python software package within the framework SEAKMC (SEAKMC_py) with the DAV method has been developed.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A continuous integration and web framework in support of the ATLAS publication process

The ATLAS collaboration defines methods, establishes procedures, and organises advisory groups to manage the publication processes of scientific papers, conference papers, and public notes. All stages are managed through web systems, computing programs, and tools that are designed and developed by the collaboration. A framework called FENCE is integrated into the CERN GitLab software repository, to automatically configure workspaces where each analysis can be documented by the analysis team and managed by the relevant coordinators. Continuous integration is used to guide the writers in applying consistent and correct formatting when preparing papers to be submitted to scientific journals. Additional software assures the correctness of other aspects of each paper, such as the lists of collaboration authors, funding agencies, and foundations. The framework and the workflow therein provide automatic and easy support to the researchers and facilitates each phase of the publication process, allowing authors to focus on the article contents. The framework and its integration with the most up to date and efficient tools has consequently provided a more professional and efficient automatized work environment to the whole collaboration.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

A Conceptual Framework for HPC Operational Data Analytics

This paper provides a broad framework for under- standing trends in Operational Data Analytics (ODA) for High- Performance Computing (HPC) facilities. The goal of ODA is to allow for the continuous monitoring, archiving, and analysis of near real-time performance data, providing immediately actionable information for multiple operational uses. In this work, we combine two models to provide a comprehensive HPC ODA framework: one is an evolutionary model of analytics capabilities that consists of four types, which are descriptive, diagnostic, predictive and prescriptive, while the other is a four- pillar model for energy-efficient HPC operations that covers facility, system hardware, system software, and applications. This new framework is then overlaid with a description of current development and production deployments of ODA within leading- edge HPC facilities. Finally, we perform a comprehensive survey of ODA works and classify them according to our framework, in order to demonstrate its effectiveness.

Netti, Alessio↗

DOE OSTI2021

From CAN to ROS: A Monitoring and Data Recording Bridge

The Controller Area Network (CAN) bus protocol is used in modern vehicles for sharing messages between several control units within a vehicle. CAN bus messages are encoded with unknown scheme and decoding these messages provide unlimited access to valuable information that is used in many autonomous vehicles applications. This paper proposes a ROS based package (CAN-to-ROS) for monitoring, recording, and real-time and offline decoding of CAN bus messages. The package is developed in the ROS framework to add modularity and ease of integration with other software, and it is written in C++ to guarantee speed of the execution during run-time. For realtime decoding of CAN bus data, CAN-to-ROS package used in conjunction with other library called Libpanda that provide access to CAN bus message from a vehicle. The package was evaluated and tested on a Raspberry Pi with real CAN bus data from a Toyota RAV4. The results confirm the capabilities of CAN-to-ROS package and resulted in using the package in other research projects.

Elmadani, Safwan↗