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All sources NASA NTRS DOE OSTI

DOE OSTI2024

Open‐Source Anaerobic Digestion Modeling Platform, Anaerobic Digestion Model No. 1 Fast (ADM1F)

An open‐source modeling platform, called Anaerobic Digestion Model No. 1 Fast (ADM1F), is introduced to achieve fast and numerically stable simulations of anaerobic digestion processes. ADM1F is compatible with an iPython interface to facilitate model configuration, simulation, data analysis, and visualization. Faster simulations and more stable results are accomplished by implementing an advanced open‐source library of numerical methods called Portable Extensive Toolkit for Scientific Computation (PETSc) to solve the ADM1 system of equations. Leveraging PETSc, ADM1F can consistently complete a steady‐state simulation under 0.2 s, over 99% faster than a benchmark ADM1 model implemented with MATLAB while achieving agreement of model outputs within 1% of those obtained with the benchmark model. For dynamic simulations, however, ADM1F has a computational speed advantage only when the influent characteristics update more frequently than every 4 h. The ability of ADM1F to be useful as a tool to study anaerobic digestion systems is demonstrated through two example implementations of ADM1F: (1) a two‐phase co‐digestion scenario evaluating the impact of the organic loading rate and the substrate composition on reactor performance and stability, and (2) a conventional digester scenario assessing the effectiveness of recovery strategies after disruptions that led to instability. These examples demonstrate how the high simulation speed and the convenience of the iPython interface allow ADM1F to complete complex analyses within minutes, much faster than computational strategies currently reported in the literature.

anaerobic co-digestion↗

DOE OSTI2026

LayerOver

Library for handling DIW-related gcode, producing novel metrics, analyzing PSPP relationships, and limited visualization of structures (STL, point clouds).

Pital, Aaron↗

DOE OSTI2025

Progress Towards International GNDS Adoption [Slides]

This presentation includes a GNDS quick overview. Libraries are increasingly available in GNDS as well as ENDF-6, Multiple evaluation / processing / checking / visualization codes have begun to support GNDS. LLNL codes FUDGE and GIDIplus are open-source tools for creating, processing and using GNDS.

Generalised Nuclear Database Structure (GNDS)↗

NASA NTRS1990

Aspects of the interstellar medium in starburst galaxies

Researchers are engaged in a multifaceted program to investigate the stellar content and star formation history of actively star-forming galaxies. A large body of stellar spectra have been examined to identify spectral features characteristic of specific stellar types. These spectral diagnostics are then calibrated in terms of temperature (spectral type), gravity (luminosity class) and metallicity. The spectral data is compiled into a stellar library whose members represent specific locations in the HR diagram. Through the use of population synthesis techniques, both optimizing and evolutionary approaches, the stellar luminosity function in composite populations can be determined by analysis of their integrated light. Researchers have concentrated on the ultraviolet wavelength region (lambda lambda 1200 to 3200), utilizing the International Ultraviolet Explorer (IUE) archives supplemented by additional observations. In the optical, virtually all stars will contribute to the integrated light. In the ultraviolet however, cool stars will produce negligible flux due to their steep ultraviolet-to-visual continua, greatly simplifying the investigation of the hot component in a composite population. The researchers' initial stellar library has been applied to several blue compact galaxies, (BCGs), a class of starburst galaxy which is UV luminous. BCGs possess a complex interstellar medium which affects the emergent stellar continuum in several ways. This presents a challenge to the stellar analysis but affords insight into the properties of the gas and dust from which the massive OB stars have formed. The optimizing synthesis method solves for the stellar luminosity function and extinction simultaneously. This therefore provides an independent measure of the extinction affecting the hot population component. Despite the rise of the reddening law towards the ultraviolet, BCGs are found to be brighter in the ultraviolet than expected.

Fanelli, Michael N.↗

DOE OSTI2018

Method for instruction sequence execution analysis and visualization

Various technologies pertaining to computer-executable instruction sequence forensics are described herein. In a general embodiment, an application development framework supports a function library that includes a plurality of recording functions. Calls to these functions are inserted into source code or bytecode of the computer-executable instruction sequence. The source code is then compiled, resulting in formation of instrumented machine code of the computer-executable instruction sequence. Alternately, the runtime environment interprets instrumented bytecode for the instruction sequence. A processor executes the machine code, and the called functions cause the processor to generate forensic data pertaining to portions of the computer-executable instruction sequence that correspond to locations in the source code where the calls were inserted. An execution instance of the computer-executable instruction sequence is visualized based upon the forensic data.

Sundermier, Amy↗

DOE OSTI2019

l3d2vtk: An MCNPTools Utility to Enable LNK3DNT File Visualization & Post-Processing

This paper describes recent work to develop and incorporate a utility program into the MCNPTools package that enables LNK3DNT file visualization & post-processing. A LNK3DNT file is a binary Cartesian, cylindrical, or spherical structured mesh file that describes material and material relative density distributions by mesh voxel. This mesh file format is principally used by the PARTISN discrete-ordinates radiation-transport code. However, the MCNP ® Monte Carlo radiation-transport code can use LNK3DNT files to specify geometry, and the MCNP code can produce LNK3DNT files representing a user-defined region of the MCNP constructive solid geometry (CSG). Because of the use of LNK3DNT files as MCNP input and output and with other computer codes, improving the ability to visualize and/or quantitatively post-process LNK3DNT files benefits end users. In particular, it is helpful to visually verify that the material and density distributions are as expected. Also, an analyst can orient viewers with respect to other in formation, e.g., by co-plotting a voxelized representation of MCNP CSG with mesh tally and/or particle track results. However, until now, the only capability to interactively interrogate LNK3DNT files is through a 2-D slice plotter provided by the Monte Carlo Application ToolKit (MCATK), which is not currently distributed outside of Los Alamos National Laboratory. The utility created as part of this work converts LNK3DNT binary files to an ASCII XML-based StructuredMesh VTK (.vts) file. The geometries supported are 1-D spherical and cylindrical ( r ), 1-D Cartesian ( x ), 2-D cylindrical ( r-z and r-θ ) and Cartesian ( x-y ), and 3-D cylindrical ( r-z-θ ) and Cartesian ( x-y-z ). This file format is chosen to minimize external dependencies (e.g., on an HDF5 library) and to provide a file that can be interrogated by the user in a text editor or standard visualization applications (e.g., ParaView or VisIt). However, other file formats may provide more utility such as XDMF, which can use HDF5 and is discussed further as something to explore as future work. This paper is organized as follows: a brief introduc tion to the MCNPTools library and utility programs is given, the LNK3DNT-to-VTK (l3d2vtk) utility functionality is de scribed, and then an example post-processing workflow using the ParaView application is given.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

PymePix : a python library for SPIDR readout of Timepix3

PymePix is a new Python 3 library that provides control and acquisition for the Timepix3-SPIDR hardware. The rich set of data-structures and intuitive routines reduces time and coding effort to quickly configure, acquire, and visualize data from Timepix3. The highly extensible high-performance data-pipeline allows for alteration of the Timepix3 datastream into a form that is convinient for the user. This library is intended to be easily inserted into a standard scientific software stack as well as to allow for more direct interaction of Timepix3 with interactive flavors of Python. Included with the library are two example programs using PymePix: pymepix-acq is a command line control and acquisition program that can capture UDP packets and decode them into pixels and triggers. The second is pymepixviewer, an online control and data-acquisition program for general use, but with features geared toward mass-spectroscopy and ion imaging.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

ORNL Campus Sustainability and Decarbonization using Waste Heat Recovery from the Oak Ridge Leadership Computing Facility’s High-Performance Computing Data Center

Heat pumps are a clean and efficient technology that can be powered by renewable electricity to transfer heat using a refrigerant from one place to another by different heat sources, making buildings clean and environmentally friendly. With the support of the ORNL Laboratory Modernization Division, this project explored and evaluated an innovative solution that uses water-water cost-effective midtemperature heat pump (MTHP) technology to leverage the low-grade waste heat from ORNL Frontier and the data center to deliver 85°C hot water, which replaces hot steam generated using natural gas combustion boilers for water heating or space heating in the buildings of ORNL campus. Two scenarios were studied. In the first scenario, which considered the 5600-5700-5800 complex only, Carrier’s commercial 1,000 kW MTHP technology achieves more than 6,640 MWh/year energy savings, an emission reduction of 858 TCO2e/year CO2, and a payback time of 4.85 years. In the second scenario, which considered the 5600-5700-5800 complex and Buildings 5100, 5200, and 5300, the CO2 emission reduction is 1,483 TCO2e/year, the operating cost savings are $0.21 million annually, and the payback time is 3.74 years. Additionally, a comprehensive HP ShowCase Tool was developed for evaluating the optimal solution to improve sustainability and decarbonization of the buildings on the ORNL campus. The tool is an Excel-based tool integrated with VBA (Visual Basic for Applications) coding. The tool includes collected ORNL campus building information and an MTHP library, which comprises collected commercial and ORNL-defined MTHPs. The tool was used to evaluate the sustainability and decarbonization of the ORNL campus. The tool can be widely used or referenced for heat pump solutions and building decarbonization renovation strategies to modernize ORNL facilities and energy use–intensive equipment to enable efficient, sustainable, and resilient operations in the future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Supporting Greater Interactivity in the IPython Visualization Ecosystem

Interactive visualizations are invaluable tools for building intuition and supporting rapid exploration of datasets and models. Numerous libraries in Python support interactivity, and workflows that combine Jupyter and IPyWidgets in particular make it straightforward to build data analysis tools on the fly. However, the field is missing the ability to arbitrarily overlay widgets and plots on top of others to support more flexible details-on-demand techniques. This work discusses some limitations of the base IPyWidgets library, explains the benefits of IPyVuetify and how it addresses these limitations, and finally presents a new open-source solution that builds on IPyVuetify to provide easily integrated widget overlays in Jupyter.

Martindale, Nathan↗

NASA NTRS1988

Image management research

Two types of research issues are involved in image management systems with space station applications: image processing research and image perception research. The image processing issues are the traditional ones of digitizing, coding, compressing, storing, analyzing, and displaying, but with a new emphasis on the constraints imposed by the human perceiver. Two image coding algorithms have been developed that may increase the efficiency of image management systems (IMS). Image perception research involves a study of the theoretical and practical aspects of visual perception of electronically displayed images. Issues include how rapidly a user can search through a library of images, how to make this search more efficient, and how to present images in terms of resolution and split screens. Other issues include optimal interface to an IMS and how to code images in a way that is optimal for the human perceiver. A test-bed within which such issues can be addressed has been designed.

Watson, Andrew B.↗

DOE OSTI2017

Vision - Vision 1.0

This package contains modules that model a visual sensor in Umbra. It is typically used to represent eyesight of characters in Umbra. This library also includes the sensor property, seeable, and an Active Denial sensor.

Hart, Brian E.↗

NASA NTRS2012

DspaceOgreTerrain 3D Terrain Visualization Tool

DspaceOgreTerrain is an extension to the DspaceOgre 3D visualization tool that supports real-time visualization of various terrain types, including digital elevation maps, planets, and meshes. DspaceOgreTerrain supports creating 3D representations of terrains and placing them in a scene graph. The 3D representations allow for a continuous level of detail, GPU-based rendering, and overlaying graphics like wheel tracks and shadows. It supports reading data from the SimScape terrain- modeling library. DspaceOgreTerrain solves the problem of displaying the results of simulations that involve very large terrains. In the past, it has been used to visualize simulations of vehicle traverses on Lunar and Martian terrains. These terrains were made up of billions of vertices and would not have been renderable in real-time without using a continuous level of detail rendering technique.

Myint, Steven↗

DOE OSTI2021

macroMS: Image-Guided Analysis of Random Objects by Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry

Mass spectrometry imaging is well-suited to characterizing sample surfaces for their chemical content in a spatially resolved manner. However, when the surface contains small objects with significant empty spaces between them, more efficient approaches to sample acquisition are possible. Image-guided mass spectrometry (MS) enables high-throughput analysis of a diverse range of sample types, such as microbial colonies, liquid microdroplets, and others, by recognizing and analyzing selected location targets in an image. Here, we describe an imaging protocol and macroMS, an online software suite that can be used to enhance MS measurements of macroscopic samples that are imaged by a camera or a flatbed scanner. Furthermore, the web-based tool enables users to find and filter targets from the optical images, correct optical distortion issues for improved spatial location of selected targets, input the custom geometry files into an MS device to acquire spectra at the selected locations, and finally, perform limited data analysis and use visualization tools to aid locating samples containing compounds of interest. Using the macroMS suite, an enzyme mutant library of Saccharomyces cerevisiae and nL droplet arrays of Escherichia coli and Pseudomonas fluorescens have been assayed at a rate of ~2 s/sample.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Microreactor Automated Control System - Digital Twin Models and Advanced Control Systems Updates

Automation of control systems is expected to be important in the economic and safe operation of microreactors. Therefore, there is a need to develop and demonstrate automated control for microreactors, along with the development of testbeds for this purpose. This report provides updates on the status of a nonnuclear microreactor automated control system (MACS)—a real-time, hardware-in-the-loop testbed for non-nuclear testing of microreactor control system automation. A real-time hardware-in-the-loop testbed incorporates the realistic dynamics of physical systems into control system development and testing. The collaborative effort between Oak Ridge National Laboratory (ORNL) and Idaho National Laboratory (INL) resulted in the development of a prototypic microreactor plant-level digital twin that includes the reactor and a balance of plant system. Advanced control strategies were incorporated to demonstrate testing of control automation solutions. The gRPC communication protocol, which was implemented in the hardware-in-the-loop testbed by INL, was coupled to a digital twin model developed using the TRANsient Simulation Framework of Reconfigurable Models (TRANSFORM) library in Modelica. This digital twin simulation was tested with the ViBRANT hardware for realistic feedback and visual representation of control action in real time. A modular Python client structure was developed to manage functional mock-up unit-based simulation and real-time gRPC communication. Hardware-in-the-loop testing indicated that the modeled reactor—a natural-convection, molten-salt coolant loop configuration—responds well to control of drum positioning for modulation of reactor core power, as well as system-level control and downstream demand changes. Ongoing research is focused on integrating additional control algorithms that utilize data from newly included sensors within the MACS hardware testbed, as well as demonstrating and assessing the performance of the different automated control algorithms on multiple additional operational scenarios.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems

The Dalton Project provides a uniform platform access to the underlying full-fledged quantum chemistry codes Dalton and LSDalton as well as the PyFraME package for automatized fragmentation and parameterization of complex molecular environments. The platform is written in Python and defines a means for library communication and interaction. Intermediate data such as integrals are exposed to the platform and made accessible to the user in the form of NumPy arrays, and the resulting data are extracted, analyzed, and visualized. Complex computational protocols that may, for instance, arise due to a need for environment fragmentation and configuration-space sampling of biochemical systems are readily assisted by the platform. The platform is designed to host additional software libraries and will serve as a hub for future modular software development efforts in the distributed Dalton community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

A graphical user interface platform to support power electronic converters and integrated systems

Power Electronic Systems have grown in size and complexity over the past years. Therefore, users require interfaces to properly configure, develop, and deploy these systems. This work presents a Graphical User Interface that dynamically adapts to the system and allows the user to control and monitor its operation. This GUI uses networked communication and open-source Python libraries to allow the user to interact with the system at its different hierarchical layers, as well as visualize the interconnection of the full system. This is demonstrated by showing the user interface applied to a megawatt class charging station that consists of various energy resources.

Dean, Ben↗

DOE OSTI2026

Retrofit Energy Analysis and Central Thermal modeling (REACT) v1.0

REACT is a website designed to simplify the analysis and decision-making process for retrofitting existing central plant heating and cooling systems with advanced heat pump technologies. The tool evaluates the technical and economic viability of replacing traditional boilers with various options including water-to-water or air-to-water heat pumps, which can provide efficient and lower-cost heating and cooling. It allows users to compare current central plant configurations with retrofit scenarios, assessing energy consumption, life-cycle costs, and environmental impact. Retrofitting traditional boiler and chiller systems with water-to-water or air-to-water heat pumps can significantly reduce energy consumption and lower lifecycle costs. The REACT provides: User-Friendly Tools: A user friendly web interface for quick, intuitive analysis accessible to non-experts. Advanced Modeling: A Python-powered engine for detailed parametric studies, optimization, and research applications. Comprehensive Analysis: Lifecycle cost evaluation, energy consumption modeling, and environmental impact assessment. Visual Insights: A variety of plots to visualize system performance and design trade-offs. The engine for the website (REACT) bases on several Python libraries, and the website will be hosted on an ETA server.

Kim, Donghun [Lawrence Berkeley National Laborator↗

NASA NTRS1995

Visualization software for a global three-dimensional upper atmosphere model

A software environment has been developed to assist in analysis and visualization of numerical outputs from NCAR's thermospheric general circulation models. The codes produce vector graphics, raster imagery, and time dependent animation of model results, with provision for comparison with empirical models and relevant data from satellite and ground based instruments. Separate programs are executed on the NCAR CRAY YMP8/864 and HAO divisional Sun workstations, providing both large volume highspeed batch and custom interactive computing environments. The visualization system assembles a suite of existing software packages including NCAR Graphics, IDL, netCDF, and the Xt intrinsics library with the Athena widget set.

Foster, Benjamin T.↗