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At least 703 records · Page 39

SINDA-NASTRAN interfacing program theoretical description and user's manual

The task of converting SINDA finite difference thermal model temperature results into NASTRAN finite element model thermal loads can be very labor intensive if there is not one node-to-one element, or systematic node-to-element. correlation between models. This paper describes the SINDA-NASTRAN Interfacing Program (SNIP), a FORTRAN computer code that generates NASTRAN structural model thermal load cards given by SINDA (or similar thermal model) temperature results and thermal model geometric data. SNIP generates NASTRAN thermal load cards for NASTRAN plate, shell, bar, and beam elements. The paper describes the interfacing procedures used by SNIP, and discusses set-up and operation of the program. Sample cases are included to demonstrate use of the program and show its performance under a variety of conditions. SNIP can provide structural model thermal loads that accurately reflect thermal model results while reducing the time required to interface thermal and structural models when compared to other methods.

Winegar, Steven R.↗

Subject-specific modeling framework for particle deposition using computational fluid dynamics

Quantifying particle deposition and dose in the respiratory tract requires a physiologically realistic representation and reproducible computational workflows. However, existing modeling frameworks, such as the International Commission on Radiological Protection (ICRP) compartmental models and the Multiple Path Particle Dosimetry (MPPD) tool, lack detailed deposition profiles and subject-specific capabilities. The combination of advances in computer vision algorithms applied to the respiratory tract and Computational Fluid and Particle Dynamics (CFPD) allows high-fidelity simulations of particle behavior in anatomically accurate geometries derived from individual CT scans. The segmentation, preprocessing, and file preparation task for a CFPD simulation was often time-consuming, and no prior studies to-date have yet presented a fully automated framework. This work presents a fully automated workflow to obtain individualized particle deposition profiles in the human respiratory tract. The pipeline starts with segmenting upper and lower airway geometries using morphological and deep learning-based methods, generating three-dimensional (3D) models from CT imaging data. Next, a series of algorithms are presented to quality check and prepare the 3D geometry for a CFD or CFPD simulation. The preprocessing step includes correcting geometric artifacts, enforcing a physically consistent mesh, and automatically identifying and capping multiple outlets, which is required for CFD/CFPD simulations. These processed models are then input into open-source (OpenFOAM) or commercial (StarCCM+) CFD solvers, where flow and transient particle transport equations — including turbulence and particle–wall interactions are solved under realistic breathing conditions. Finally, the resulting particle deposition profiles can be integrated with Monte Carlo radiation transport codes and state-of-the-art computational phantoms to assess organ-specific absorbed doses in scenarios of radioactive aerosol inhalation. The presented work streamlines respiratory tract segmentation, preprocessing for CFD/CFPD simulations, and integration with dose assessment workflows, reducing manual intervention and improving access to high-fidelity, subject-specific modeling. The high precision in predicted particle deposition and dose distributions can improve personalized treatment strategies in respiratory medicine and refine dose estimates for radiation protection.

AI↗

Electricity and natural gas tariffs at United States wastewater treatment plants

Abstract Wastewater treatment plants (WWTPs) are large electricity and natural gas consumers with untapped potential to recover carbon-neutral biogas and provide energy services for the grid. Techno-economic analysis of emerging energy recovery and management technologies is critical to understanding their commercial viability, but quantifying their energy cost savings potential is stymied by a lack of well curated, nationally representative electricity and natural gas tariff data. We present a dataset of electricity tariffs for the 100 largest WWTPs in the Clean Watershed Needs Survey (CWNS) and natural gas tariffs for the 54 of 100 WWTPs with on-site cogeneration. We manually collected tariffs from each utility’s website and implemented data checks to ensure their validity. The dataset includes facility metadata, electricity tariffs, and natural gas tariffs (where cogeneration is present). Tariffs are current as of November 2021. We provide code for technical validation along with a sample simulation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

FY26 Progress on Demonstration of a Multiphysics Steady State Capability for Modeling Core Radial Expansion in SFRs

Under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism in liquid metal-cooled fast reactors and involves multiphysics effects including radiation transport, fluid flow, heat transfer, and mechanical response to temperature and flux gradients. This report summarizes recent progress on developing a multiphysics, MOOSE-based workflow to predict core bowing and associated reactivity feedback. Significant new capabilities in the reactor physics code Griffin - sodium backfill and pin power reconstruction for deformed geometries - were applied in this effort. This year’s work included verification, code comparisons, sensitivity studies, and coupled demonstrations that advance the state of MOOSE-based core bowing workflow. Griffin’s sodium backfill capability was verified by demonstrating that its automated treatment of geometry expansion and material-density updates reproduces manual calculations exactly, confirming solid mass conservation and proper coolant backfilling in expanded geometries. Reconstructed pin powers were compared for Griffin’s ductheterogeneous and ring-heterogeneous treatments in single-, seven-, and nineteen-assembly cases, with best agreement observed in lower-leakage configurations and the duct-heterogeneous approach offering substantially lower computational cost. Thermal-hydraulic sensitivity sensitivities showed that MOOSE SCM, SAM, and CFD are expected to produce similar deformation predictions despite variances in their temperature predictions, and that explicit treatment of inter-assembly flow becomes increasingly important as gap flow rate increases. Finally, coupled demonstrations on small multi-assembly configurations using Griffin, MOOSE Solid Mechanics, MOOSE SCM, and Heat Conduction produced physically consistent reactivity feedback from thermal expansion and bowing. The coupled demonstrations simulated grid plate expansion as well as resultant core bowing at full power conditions. Simplifications were made in current workflow, namely the assumption of instantaneous full power conditions following hot zero power, and pre-expanding the Griffin geometry axially due to lack of an axial fuel pin expansion model and temperature feedback to Griffin.

Wozniak, Nicholas↗

An evaluation of coding methodologies for potential use in the Alabama Resource Information System (ARIS)-transportation study for the state of Alabama

Procedures developed for digitizing the transportation arteries, airports, and dock facilities of Alabama and placing them in a computerized format compatible with the Alabama Resource Information System are described. The time required to digitize by the following methods: (a) manual, (b) Telereadex 29 with film reading and digitizing system, and (c) digitizing tablets was evaluated. A method for digitizing and storing information from the U. T. M. grid cell base which was compatible with the system was developed and tested. The highways, navigable waterways, railroads, airports, and docks in the study area were digitized and the data stored. The manual method of digitizing was shown to be best for small amounts of data, while the graphic input from the digitizing tablets would be the best approach for entering the large amounts of data required for an entire state.

Montgomery, O. L.↗

ATLAS, an integrated structural analysis and design system. Volume 3: User's manual, input and execution data

The input data and execution control statements for the ATLAS integrated structural analysis and design system are described. It is operational on the Control Data Corporation (CDC) 6600/CYBER computers in a batch mode or in a time-shared mode via interactive graphic or text terminals. ATLAS is a modular system of computer codes with common executive and data base management components. The system provides an extensive set of general-purpose technical programs with analytical capabilities including stiffness, stress, loads, mass, substructuring, strength design, unsteady aerodynamics, vibration, and flutter analyses. The sequence and mode of execution of selected program modules are controlled via a common user-oriented language.

Dreisbach, R. L.↗

Automated verification of flight software. User's manual

(Automated Verification of Flight Software), a collection of tools for analyzing source programs written in FORTRAN and AED is documented. The quality and the reliability of flight software are improved by: (1) indented listings of source programs, (2) static analysis to detect inconsistencies in the use of variables and parameters, (3) automated documentation, (4) instrumentation of source code, (5) retesting guidance, (6) analysis of assertions, (7) symbolic execution, (8) generation of verification conditions, and (9) simplification of verification conditions. Use of AVFS in the verification of flight software is described.

Saib, S. H.↗

Quantifying the effect of hydride microstructure on zirconium alloys embrittlement using image analysis

Since hydride microstructure can significantly influence Zr alloy nuclear fuel cladding’s ductility, a new metric has been developed to quantify hydride microstructure in 2D micrographs and relate it to crack propagation. As cladding failure usually results from a hoop stress, this new metric, called the Radial Hydride Continuous Path (RHCP), is based on quantifying the continuity of brittle hydride particles along the radial direction of the cladding tube. Compared to previous metrics, this approach more closely relates to the propensity of a crack to propagate radially through the cladding tube thickness. The RHCP takes into account hydride length, orientation, and connectivity to choose the optimal path for crack propagation through the cladding thickness. The RHCP can therefore be more closely linked to hydride embrittlement of the Zr alloy material, thus creating a relationship between material structure, properties, and performance. The new definition, along with previously proposed metrics such as the Radial Hydride Fraction (RHF), the Hydride Continuity Coefficient (HCC), and the Radial Hydride Continuity Factor (RHCF), have been implemented and automated in MATLAB. These codes are made available with this publication as supplementary materials. These metrics were verified by comparing their predictions of hydride morphology against expected values in simple cases, and the implementation of the new metric was validated by comparing its predictions with manual measurements of hydride microstructure performed on ImageJ. The RHCP was also validated against experimental measurements of fracture behavior and it was shown to correlate with cladding failure better than previous metrics. The information provided by these metrics will help accurately assess cladding integrity during operation, transportation, and storage.

36 MATERIALS SCIENCE↗

Electromagnetic interference assessment of an ion drive electric propulsion system

The electromagnetic interference (EMI) form elements of an ion drive electric propulsion system was analyzed, and the effects of EMI interaction with a typical interplanetary spacecraft engineering and scientific subsystems were predicted. SEMCAP, a computerized electromagnetic compatibility assessment code, was used to analyze the impact of EMI noise sources on 65 engineering/telemetry circuits and 48 plasma wave and planetary radio astronomy channels measuring over the range of 100 Hz to 40 MHz in a spacecraft of the Voyager type; manual methods were used to evaluate electrostatics, magnetics, and communications effects. Results indicate that some conducted and radiated spectra are in excess of electromagnetic compatibility specification limits; direct design changes may be required for filtering and shielding of thrust system elements. The worst source of broadband radiated noise appears to be the power processor. The magnetic field necessary to thruster operation is equivalent to about 18 amp-sq m per amp of beam current at right angles to the axis caused by the neutralizer/plume loop.

Whittlesey, A. C.↗

Multibody dynamics model building using graphical interfaces

In recent years, the extremely laborious task of manually deriving equations of motion for the simulation of multibody spacecraft dynamics has largely been eliminated. Instead, the dynamicist now works with commonly available general purpose dynamics simulation programs which generate the equations of motion either explicitly or implicitly via computer codes. The user interface to these programs has predominantly been via input data files, each with its own required format and peculiarities, causing errors and frustrations during program setup. Recent progress in a more natural method of data input for dynamics programs: the graphical interface, is described.

Macala, Glenn A.↗

User's manual for rocket combustor interactive design (ROCCID) and analysis computer program. Volume 2: Appendixes A-K

The appendices A-K to the user's manual for the rocket combustor interactive design (ROCCID) computer program are presented. This includes installation instructions, flow charts, subroutine model documentation, and sample output files. The ROCCID program, written in Fortran 77, provides a standardized methodology using state of the art codes and procedures for the analysis of a liquid rocket engine combustor's steady state combustion performance and combustion stability. The ROCCID is currently capable of analyzing mixed element injector patterns containing impinging like doublet or unlike triplet, showerhead, shear coaxial and swirl coaxial elements as long as only one element type exists in each injector core, baffle, or barrier zone. Real propellant properties of oxygen, hydrogen, methane, propane, and RP-1 are included in ROCCID. The properties of other propellants can be easily added. The analysis models in ROCCID can account for the influences of acoustic cavities, helmholtz resonators, and radial thrust chamber baffles on combustion stability. ROCCID also contains the logic to interactively create a combustor design which meets input performance and stability goals. A preliminary design results from the application of historical correlations to the input design requirements. The steady state performance and combustion stability of this design is evaluated using the analysis models, and ROCCID guides the user as to the design changes required to satisfy the user's performance and stability goals, including the design of stability aids. Output from ROCCID includes a formatted input file for the standardized JANNAF engine performance prediction procedure.

Muss, J. A.↗

DRiFT - Release 1.1.1: Organic Scintillators

DRiFT (a Detector Response Function Toolkit) is LANL-developed software that postprocesses output from the extensively validated radiation transport code, MCNP, and generates realistic nuclear instrumentation response. DRiFT is designed to be flexible, enabling users to specify detector type and many experimental settings, as well as accommodating the addition of their own desired features. Although DRiFT development has included scintillator, gas, and semiconductor features, the focus of this release is on organic scintillator and associated capabilities. Organic scintillators are widely used in the areas of nuclear safeguards and nuclear non-proliferation efforts. DRiFT has several diagnostic and detector physics features relevant to detailed scintillator simulations including: tracking source particle information, scintillation light production, the effects of PMT quantum efficiency and gain, and digitizer settings. Users can select responses from many scintillator and PMT types supported natively by DRiFT, or add their own by following the instructions in this document. We acknowledge that DRiFT is under active development, bug reports and general questions and comments should be directed to Madison Andrews, madison@lanl.gov. This manual is divided into four parts: I) An overview of DRiFT, including how to obtain and install the executable, II) A description of the detector physics related to scintillators available, III) a description of more general DRiFT features the user may find useful, and IV) a description of the test suite and examples made available with the code release.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Hydrogen Hub Systems Analysis and Mapping Tool (ParaCraft) v1

A plug and play techno-economic analysis (TEA) and lifecycle assessment (LCA) tool was built that could incorporate new projects into the California ARCHES LLC Hydrogen hub, and generate results for the project, as well as the overall hub on an annual basis. The model was first constructed in Microsoft Excel and ArcGIS, but required labor intensive updating and manual decision making regarding the matching of hydrogen supplier and offtaker and estimation of transportation distances and utility sources. The project team converted the Excel model used for the ARCHES LLC hub conceptualization into a highly flexible and nearly completely automated R code. The R code runs the TEA and LCA, as well as provides mapping capabilities that automatically link projects by latitude and longitude to nearby utilities.

Breunig, Hanna↗

User’s Manual for Seal_Flux: A Seal Barrier Reduced-Order Model

This report provides a brief description on the use of the Seal_Flux computer program developed as part of the effort to quantify the risk of geologic storage of carbon dioxide (CO 2 ) under the U.S. Department of Energy’s (DOE) National Risk Assessment Partnership (NRAP). The Seal_Flux code simulates the flow of CO 2 through a low permeability rock horizon or seal formation overlying the storage reservoir into which CO 2 is injected. A two-phase, relative permeability approach with Darcy’s law is used for one-dimensional (1D) flow computations of CO 2 through the horizon in the vertical direction. The code also allows the simulation of time-dependent processes that can influence such flow.

54 ENVIRONMENTAL SCIENCES↗

MCNP ® Code Version 6.3.0 Build Guide

This is a build guide for the MCNP ® code, version 6.3.0, that expands upon the README.md included with the source code. It covers compilers, dependencies, building, testing, and installing the code in one of its supported configurations.

97 MATHEMATICS AND COMPUTING↗

Plant Engineers Solar Energy Handbook: Southern California Region

Discussed in order after the introduction are solar components and systems (collectors, storage, service hot water systems, space heating with liquid and air systems, space cooling, heat pumps and controls); computer programs for system optimization; local solar and weather data; a description of buildings and plants in Southern California applying solar technology; current Federal and California solar legislation; standards, codes and performance testing information; a listing of manufacturers, distributors, and professional services available in Southern California region; and information access. Finally, solar design check lists for those engineers who wish to design their own systems. The program for the Solar Workshop for the Plant Engineer, March 30, 1978, Los Angeles, California is included.

14 SOLAR ENERGY↗

DRiFT - Release 1.0.0 Organic Scintillators

DRiFT (a Detector Response Function Toolkit) is LANL-developed software that postprocesses output from the extensively validated radiation transport code, MCNP [1], and generates realistic nuclear instrumentation response. DRiFT is designed to be flexible, enabling users to specify detector type and many experimental settings, as well as accommodating the addition of their own desired features. Although DRiFT development has included scintillator [2], gas [3], and semiconductor features [4], the focus of this release is on organic scintillator and associated capabilities. Organic scintillators are widely used in the areas of nuclear safeguards and nuclear non-proliferation efforts [5, 6]. DRiFT has several diagnostic and detector physics features relevant to detailed scintillator simulations including: tracking source particle information, scintillation light production, the effects of PMT quantum efficiency and gain, and digitizer settings. Users can select responses from many scintillator and PMT types supported natively by DRiFT, or add their own by following the instructions in this document. We acknowledge that DRiFT is under active development, bug reports and general questions and comments should be directed to Madison Andrews, madison@lanl.gov. This manual is divided into four parts: I) An overview of DRiFT, including how to obtain and install the executable, II) A description of the detector physics related to scintillators available, III) a description of more general DRiFT features the user may find useful, and IV) a description of the test suite and examples made available with the code release.

61 RADIATION PROTECTION AND DOSIMETRY↗

User’s Manual for Seal_Flux: A Seal Barrier Reduced-Order Model (Update)

This report provides a brief description on the use of the Seal_Flux computer program developed as part of the effort to quantify the risk of geologic storage of carbon dioxide (CO 2 ) under the U.S. Department of Energy’s (DOE) National Risk Assessment Partnership (NRAP). The Seal_Flux code simulates the flow of CO 2 through a low permeability rock horizon or seal formation overlying the storage reservoir into which CO 2 is injected. A two-phase, relative permeability approach with Darcy’s law is used for one-dimensional (1D) flow computations of CO 2 through the horizon in the vertical direction. The code also allows the simulation of time-dependent processes that can influence such flow. However, as part of its design, Seal_Flux is what can be termed a “reduced-order model” (ROM) and is not intended as a full-functioning flow code. The theory and simulation in the code is streamlined and directed towards the implementation of Monte Carlo risk analyses of CO 2 transport or as termed in this context as “leakage.” While presented in this report as a stand-alone tool, the Seal_Flux code is intended to function in the future as one of several models as part of an integrated, systems-level model of CO 2 storage performance. Finally, the code is written in Python 3.10 to provide an open framework for further development by others and to assist in linking the code with other modules in an integrated assessment model.

58 GEOSCIENCES↗