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At least 703 records · Page 39

HPCCloud: A Cloud/Web-Based Simulation Environment

Advanced modeling and simulation has enabled the design of a variety of innovative products and the analysis of numerous complex phenomenon. There are significant barriers to widespread adoption of these tools. In particular, advanced modeling and simulation: (1) is considered complex to use, (2) needs in-house expertise, and (3) requires high capital costs. In this paper, we describe the development of an end-to-end, advanced modeling and simulation cloud platform that encapsulates best practices for scientific computing in the cloud, and demonstrate using Hydra-TH as a prototypical application. As an alternative to traditional advanced modeling and simulation workflows, our Web-based approach simplifies the processes, decreases the need for in-house computational science and engineering experts, and lowers the capital investments. In addition to providing significantly improved, intuitive software, the environment offers reproducible workflows where the full lifecycle of data from input to final analyzed results can be saved, shared, and even published.

97 MATHEMATICS AND COMPUTING↗

TH-C-12A-09: Planning and Delivery of the Fully Dynamic Trajectory Modulated Arc Therapy: Application to Accelerated Partial Breast Irradiation

Purpose: A novel trajectory modulated arc therapy (TMAT) system was developed that uses source motion trajectory involving synchronized gantry rotation with translational and rotational couch movement. MLC motion and dose rate were fully optimized for dynamic beam delivery. This work presents a platform for planning deliverable TMAT on a collision free coronal trajectory and evaluates its benefit for accelerated partial breast irradiation (APBI) in a prone position. Methods: The TMAT algorithm was built on VMAT with modifications (physical properties on couch movement were defined) and enhancements (pencil beam dose calculation engine to support extended SSDs) to make it feasible for TMAT delivery. A Matlab software environment for TMAT optimization and dose calculation was created to allow any user specified motion axis. TMAT delivery was implemented on Varian TrueBeamTM STx via XML scripts. 10 prone breast irradiation cases were evaluated in VMAT and compared with a 6- field non-coplanar IMRT plan. Patient selection/exclusion criteria and structure contouring followed the guidelines of NSABP B-39/RTOG 0413 protocol. Results: TMAT delivery time was ∼4.5 minutes. 251.5°±7.88° of non-isocentric couch arc was achieved by the optimized trajectory with 180– 210 control points at 1°–2° couch increments. The improved dose distribution by TMAT was most clearly observed by the marked reduction in the volume of irradiated normal breast tissue in the high dose region. The ratios of the normal breast tissue volume receiving more than 50%, 80% and 100% of the prescription dose for TMAT versus IMRT were: V50%(TMAT/IMRT) = 78.38%±13.03%, V80%(TMAT/IMRT) = 44.19%±9.04% and V100% (TMAT/IMRT) = 9.96%±7.55%, all p≤0.01. Conclusion: The study is the first demonstration of planning and delivery implementation of a fully dynamic APBI TMAT system with continuous couch motion. TMAT achieved significantly improved dosimetry over noncoplanar IMRT on dose volume parameters correlated with toxicity and cosmetic outcome of APBI. This project was supported by Varian Research Grant.

60 APPLIED LIFE SCIENCES↗

RVA: A Plugin for ParaView 3.14

RVA is a plugin developed for the 64-bit Windows version of the ParaView 3.14 visualization package. RVA is designed to provide support in the visualization and analysis of complex reservoirs being managed using multi-fluid EOR techniques. RVA, for Reservoir Visualization and Analysis, was developed at the University of Illinois at Urbana-Champaign, with contributions from the Illinois State Geological Survey, Department of Computer Science and National Center for Supercomputing Applications. RVA was designed to utilize and enhance the state-of-the-art visualization capabilities within ParaView, readily allowing joint visualization of geologic framework and reservoir fluid simulation model results. Particular emphasis was placed on enabling visualization and analysis of simulation results highlighting multiple fluid phases, multiple properties for each fluid phase (including flow lines), multiple geologic models and multiple time steps. Additional advanced functionality was provided through the development of custom code to implement data mining capabilities. The built-in functionality of ParaView provides the capacity to process and visualize data sets ranging from small models on local desktop systems to extremely large models created and stored on remote supercomputers. The RVA plugin that we developed and the associated User Manual provide improved functionality through new software tools, and instruction in the use of ParaView-RVA, targeted to petroleum engineers and geologists in industry and research. The RVA web site (http://rva.cs.illinois.edu) provides an overview of functions, and the development web site (https://github.com/shaffer1/RVA) provides ready access to the source code, compiled binaries, user manual, and a suite of demonstration data sets. Key functionality has been included to support a range of reservoirs visualization and analysis needs, including: sophisticated connectivity analysis, cross sections through simulation results between selected wells, simplified volumetric calculations, global vertical exaggeration adjustments, ingestion of UTChem simulation results, ingestion of Isatis geostatistical framework models, interrogation of joint geologic and reservoir modeling results, joint visualization and analysis of well history files, location-targeted visualization, advanced correlation analysis, visualization of flow paths, and creation of static images and animations highlighting targeted reservoir features.

Source record↗

Berkeley Lab WINDOW Calc Engine (CalcEngine) v2

Calculation of thermal and optical properties of glass, windows, and shades. Calculational code only, no GUI. The software hosted at this repository is one out of five repositories that make up this entire project. The others can be found at the following DOIs: 10.11578/dc.20190522.2, 10.11578/dc.20190522.4, 10.11578/dc.20190522.5, and 10.11578/dc.20190524.1.

Kohler, Christian↗

Berkeley Lab WINDOW Calc Engine (CalcEngine) v2

Calculation of thermal and optical properties of glass, windows, and shades. Calculational code only, no GUI. The software hosted at this repository is one out of five repositories that make up this entire project. The others can be found at the following DOIs: 10.11578/dc.20190522.1, 10.11578/dc.20190522.4, 10.11578/dc.20190522.5, and 10.11578/dc.20190524.1.

Kohler, Christian↗

Berkeley Lab WINDOW Calc Engine (CalcEngine) v2

Calculation of thermal and optical properties of glass, windows, and shades. Calculational code only, no GUI. The software hosted at this repository is one out of five repositories that make up this entire project. The others can be found at the following DOIs: 10.11578/dc.20190522.1, 10.11578/dc.20190522.2, 10.11578/dc.20190522.5, and 10.11578/dc.20190524.1.

Kohler, Christian↗

Berkeley Lab WINDOW Calc Engine (CalcEngine) v2

Calculation of thermal and optical properties of glass, windows, and shades. Calculational code only, no GUI. The software hosted at this repository is one out of five repositories that make up this entire project. The others can be found at the following DOIs: 10.11578/dc.20190522.1, 10.11578/dc.20190522.2, 10.11578/dc.20190522.4, and 10.11578/dc.20190524.1.

Mitchell, Robin↗

Berkeley Lab WINDOW Calc Engine (CalcEngine) v2

Calculation of thermal and optical properties of glass, windows, and shades. Calculational code only, no GUI. The software hosted at this repository is one out of five repositories that make up this entire project. The others can be found at the following DOIs: 10.11578/dc.20190522.1, 10.11578/dc.20190522.2, 10.11578/dc.20190522.4 and 10.11578/dc.20190522.5.

Mitchell, Robin↗

RetSynth v. 1.0

This software uses a database of existing biological pathways to determine efficient routes for genetic engineering.

Whitmore, LeanneS.↗

NEML2 - THE NEW ENGINEERING MATERIAL MODEL LIBRARY, VERSION 2

SF-22-157 NEML2 is an extension of an earlier open source code developed at ANL (SF-xxxx) called NEML. These libraries provide tools for constructing and using models of engineering materials, with a focus on high temperature materials for nuclear reactor applications. The software include tools for setting up material models, calibrating models, storing models for later use in other simulations, and running simple "material point" simulations of the material behavior. The main difference between NEML and NEML2 is the new software has been complete restructured to run on GPUs and other accelerators in order to improve the performance of methods used to train constitutive models against data and to improve the performance of the final models in production environments, like finite element software. While over time we expect NEML2 to become more-or-less feature complete with NEML we are filing a new software disclosure because (1) the library has been complete restructured and (2) we want to host NEML2 in a separate repository.

MESSNER, MARK↗

Useful python scripts

SAND2023-11904O This collection of original scripts is made up of Python, Makefile, and Vim. Each script performs a single commonly used function in an encapsulated manner that can easily integrate into larger application-specific software. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Penney, Keith↗

Calculating topological properties of artificial graphene in B-field

SAND2025-03258O Calculating topological properties of artificial graphene in B-field is a user-friendly tool designed to analyze artificial graphene systems influenced by magnetic fields. It helps researchers understand the unique properties of these materials by calculating the local Chern marker, a key indicator of their behavior. With just one file, this software runs easily on any device with Matlab, making it accessible for scientists and engineers. It provides valuable insights into the electronic characteristics of artificial graphene, which supports advancements in material science and technology, paving the way for innovative applications in electronics and beyond. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Spataru, Dan [Sandia National Lab. (SNL-CA), Liver↗

Tusqh

SAND2025-00675O Tusqh is a software tool that generates cubical meshes in 2D and 3D and computes the homology of these meshes using persistent homology. It includes a grid cell in the output if its volume-fraction is above a selectable threshold, estimated by sampling points within the cell. Tusqh incorporates anti-aliasing algorithms to mitigate grid orientation and scale effects. It is designed for creating finite element meshes for simulations and can be used in various applications such as heat diffusion, mechanical simulations, and computer graphics rendering. The software outputs meshes in an open format compatible with downstream software. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

A Research Roadmap for Computation-Based Human Reliability Analysis

The United States (U.S.) Department of Energy (DOE) is sponsoring research through the Light Water Reactor Sustainability (LWRS) program to extend the life of the currently operating fleet of commercial nuclear power plants. The Risk Informed Safety Margin Characterization (RISMC) research pathway within LWRS looks at ways to maintain and improve the safety margins of these plants. The RISMC pathway includes significant developments in the area of thermalhydraulics code modeling and the development of tools to facilitate dynamic probabilistic risk assessment (PRA). PRA is primarily concerned with the risk of hardware systems at the plant; yet, hardware reliability is often secondary in overall risk significance to human errors that can trigger or compound undesirable events at the plant. This report highlights ongoing efforts to develop a computation-based approach to human reliability analysis (HRA). This computation-based approach differs from existing static and dynamic HRA approaches in that it: (i) interfaces with a dynamic computation engine that includes a full scope plant model, and (ii) interfaces with a PRA software toolset. The computation-based HRA approach presented in this report is called the Human Unimodels for Nuclear Technology to Enhance Reliability (HUNTER) and incorporates in a hybrid fashion elements of existing HRA methods to interface with new computational tools developed under the RISMC pathway. The goal of this research effort is to model human performance more accurately than existing approaches, thereby minimizing modeling uncertainty found in current plant risk models.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

RVA. 3-D Visualization and Analysis Software to Support Management of Oil and Gas Resources

A free software application, RVA, has been developed as a plugin to the US DOE-funded ParaView visualization package, to provide support in the visualization and analysis of complex reservoirs being managed using multi-fluid EOR techniques. RVA, for Reservoir Visualization and Analysis, was developed as an open-source plugin to the 64 bit Windows version of ParaView 3.14. RVA was developed at the University of Illinois at Urbana-Champaign, with contributions from the Illinois State Geological Survey, Department of Computer Science and National Center for Supercomputing Applications. RVA was designed to utilize and enhance the state-of-the-art visualization capabilities within ParaView, readily allowing joint visualization of geologic framework and reservoir fluid simulation model results. Particular emphasis was placed on enabling visualization and analysis of simulation results highlighting multiple fluid phases, multiple properties for each fluid phase (including flow lines), multiple geologic models and multiple time steps. Additional advanced functionality was provided through the development of custom code to implement data mining capabilities. The built-in functionality of ParaView provides the capacity to process and visualize data sets ranging from small models on local desktop systems to extremely large models created and stored on remote supercomputers. The RVA plugin that we developed and the associated User Manual provide improved functionality through new software tools, and instruction in the use of ParaView-RVA, targeted to petroleum engineers and geologists in industry and research. The RVA web site (http://rva.cs.illinois.edu) provides an overview of functions, and the development web site (https://github.com/shaffer1/RVA) provides ready access to the source code, compiled binaries, user manual, and a suite of demonstration data sets. Key functionality has been included to support a range of reservoirs visualization and analysis needs, including: sophisticated connectivity analysis, cross sections through simulation results between selected wells, simplified volumetric calculations, global vertical exaggeration adjustments, ingestion of UTChem simulation results, ingestion of Isatis geostatistical framework models, interrogation of joint geologic and reservoir modeling results, joint visualization and analysis of well history files, location-targeted visualization, advanced correlation analysis, visualization of flow paths, and creation of static images and animations highlighting targeted reservoir features.

97 MATHEMATICS AND COMPUTING↗

Radioisotope Power System Dose Estimation Tool (RPS-DET) User Manual

Radioisotope power systems (RPSs) convert decay heat from radioactive materials to electrical power. The National Aeronautics and Space Administration (NASA) uses RPSs for certain orbiters, landers, rovers, and probes that cannot rely on solar or chemical power. Most of the emitted charged particles in RPS fuels are locally absorbed, and the particles’ kinetic energy is converted into thermal energy as they slow down in the surrounding materials. This heat is subsequently converted into electricity through some form of energy conversion process (e.g., thermoelectric, heat engine, thermionic). While nearly all the charged particles are stopped locally, a non-trivial portion of the emitted neutral particles (neutrons and photons) escape the fuel and are free to interact with surrounding materials. This escaping radiation field can be operationally problematic for certain instruments, materials, electronics, etc., and can cause problems during terrestrial shipping, integration, testing for personnel, instrumentation, etc. Furthermore, the fuel’s emission spectrum evolves over time as the parent isotopes decay away and daughter products accumulate. This changing fuel composition alters characteristics of the ambient radiation field over time, which is further affected by RPS orientation and the surrounding environment. Tools that can rapidly estimate the radiation characteristics of RPSs with various fuel compositions, fuel ages, various RPS orientations, and in/on different spaceflight and planetary scenarios provide researchers with an opportunity to quickly estimate the radiation implications of a given RPS scenario. The RPS dose estimation tool (RPS-DET) provides engineers, scientists and analysts who are not trained in the art of particle transport software with a solution for quickly building, simulating, and analyzing the radiation impacts of various RPS designs in relevant spaceflight and terrestrial environments.

30 DIRECT ENERGY CONVERSION↗