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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS2009

Severe Weather and Weak Waterspout Checklist in MIDDS

The goal of this task was to migrate the functionality of the AMU web-based Severe Weather Forecast Decision Aid and the 45 WS Weak Waterspout Checklist to MIDDS, the operational data ingest and display system of the 45 WS. Forecasting the occurrence and timing of warm season severe weather and weak waterspouts is challenging for 45 WS operational personnel. These interactive tools assist forecasters in determining the probability of issuing severe weather watches and warnings for the day. MIDDS is able retrieve many of the needed parameter values for the worksheet automatically. The AMU was able to develop user-friendly tools in MIDDS for both of these tools using McBASI coded programs. The tools retrieve needed values from MIDDS automatically, and require the forecaster to answer a few subjective questions. Both tools were tested and previewed to the 45 WS on MIDDS. In their previous forms, the forecasters enter values into both tools manually to output a threat index. Making these tools more automatic will reduce the possibility of human error and increase efficiency.

Wheeler, Mark M.↗

NASA NTRS2011

Loft: An Automated Mesh Generator for Stiffened Shell Aerospace Vehicles

Loft is an automated mesh generation code that is designed for aerospace vehicle structures. From user input, Loft generates meshes for wings, noses, tanks, fuselage sections, thrust structures, and so on. As a mesh is generated, each element is assigned properties to mark the part of the vehicle with which it is associated. This property assignment is an extremely powerful feature that enables detailed analysis tasks, such as load application and structural sizing. This report is presented in two parts. The first part is an overview of the code and its applications. The modeling approach that was used to create the finite element meshes is described. Several applications of the code are demonstrated, including a Next Generation Launch Technology (NGLT) wing-sizing study, a lunar lander stage study, a launch vehicle shroud shape study, and a two-stage-to-orbit (TSTO) orbiter. Part two of the report is the program user manual. The manual includes in-depth tutorials and a complete command reference.

Eldred, Lloyd B.↗

DOE OSTI2023

DRiFT - Release 2.1.0: Organic Scintillators and Gas Detectors

DRiFT (a Detector Response Function Toolkit) is LANL-developed software that post-processes 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. The focus of this release is on organic scintillator, gas detector, and associated capabilities, while semiconductor features are still under development. 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. DRiFT also has several diagnostic and detector physics features relevant to neutron gas detector simulations including: gas detector wall effects, inactive areas at the end of detector tubes, and effects of a preamplifier. 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 ↗

DOE OSTI2024

Massive all-atom analysis of 2D materials with quantum properties (Final report)

Improvements in microscopy have enabled the acquisition of data at a scale that is difficult to process manually, making automated machine learning approaches to analyzing experimental images essential. In this project, we developed and applied machine learning (ML) workflows for atomic resolution scanning transmission electron microscopy (STEM) images. This development included improving both methodology as well as generating user-friendly codes. We developed machine learning architectures which, after training, automatically identify the location and types of defects throughout a material. We used these data to produce class-averaged images of 2D atomic coordinates with up to 0.3 pm precision, uncovering the structure and oscillations of long-range strain fields around point defects in WSe 2-2x Te 2x . We also resolved a long-standing problem in this field in the training of ML models, a lack of labeled experimental data, by developing a cycle-GAN that transformed simulated-generated labeled data into labeled data indistinguishable from experiment and therefore suitable for training. This removed the remaining parts of the ML data processing workflow where human intervention was still critical and therefore a bottleneck to working at scale. Codes have been developed and released for this full machine learning workflow. ML approaches to partially automate STEM acquisition were also developed. Finally we applied ML and other advanced data processing methods to several materials science problems in two-dimensional materials, including studying the evolution of hyperuniformity with defect concentration in WSe2, understanding phase transformations in transition metal dichalcogenides during in-situ heating in the STEM, and exploring how 2D interfaces transform from twisted into aligned structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1977

Computational techniques for solar wind flows past terrestrial planets: Theory and computer programs

The interaction of the solar wind with terrestrial planets can be predicted using a computer program based on a single fluid, steady, dissipationless, magnetohydrodynamic model to calculate the axisymmetric, supersonic, super-Alfvenic solar wind flow past both magnetic and nonmagnetic planets. The actual calculations are implemented by an assemblage of computer codes organized into one program. These include finite difference codes which determine the gas-dynamic solution, together with a variety of special purpose output codes for determining and automatically plotting both flow field and magnetic field results. Comparisons are made with previous results, and results are presented for a number of solar wind flows. The computational programs developed are documented and are presented in a general user's manual which is included.

Stahara, S. S.↗

DOE OSTI2026

torch-einshard v1.0

torch-einshard is a Python library for describing local and distributed PyTorch tensor computations with compact, einsum-like notation. Its expressions name logical axes, specify how they are sharded across a PyTorch DeviceMesh, and represent partial reductions. The library automatically performs contractions, permutations, reshaping, splitting, gathering, reduction, reduce-scatter, and repartitioning while preserving autograd. Additional features include sharding-aware FFTs, tensor rolls, halo exchange, sliding windows, 1D–3D convolutions, uneven-shard handling, parameter initialization and gradient management, and cost-based execution planning. It is designed for scientific machine learning and large-model workloads, including tensor-, sequence-, and spatial-parallel MLPs, attention, convolutions, and spectral operations. Compared with manually combining torch.einsum and distributed collectives, torch-einshard expresses both the mathematical operation and data placement in one readable formula. This reduces boilerplate and synchronization errors, keeps forward and backward communication consistent, and allows the library to select optimized collective strategies without changing model code.

Morozov, Dmitriy [Lawrence Berkeley National Labor↗

DOE OSTI2026

Alchemy: A Model-Based Approach for 2D to 3D Autonomous Nuclear System Design

Engineering design of nuclear power plant (NPP) piping and equipment systems frequently bypasses crucial 2D system planning, instead moving straight to 3D modeling. This often leads to designs that exceed building envelope constraints, forcing expensive and time-consuming redesigns. When 2D modeling is employed, it typically involves labor-intensive manual workflows that convert 2D drawings into 3D models, resulting in inefficiencies and errors across design iterations. These workflows further suffer from poor software interoperability and dependence on proprietary software ecosystems, thereby contributing to schedule delays and cost overruns. This paper presents Alchemy, an autonomous framework that transforms 2D system definitions into Industry Foundation Classes (IFC)-compliant 3D building information models (BIMs) for expediting nuclear facility design at the conceptual preliminary phase. Using a model-based approach, the framework treats the 2D system diagram as the central reference model employed to automatically generate all subsequent outputs, ensuring consistency between the system definition and the resulting physical design. A web-based interface enables engineers to define hierarchical system topologies including associated equipment, geometric properties, and connectivity requirements. A two-phase equipment layout optimization algorithm automatically computes collision-free spatial configurations within predefined building envelopes. An artificial intelligence (AI)-assisted pipe routing module then generates orthogonal, collision-free routing paths, allowing the user to select either an A* search-based method or an Ant Colony Optimization (ACO)-based method. All outputs are authored natively in IFC format, relying on open-source technologies and standardized formats in order to ensure extensibility and eliminate proprietary software dependencies. The proposed framework is validated on two representative pressurized-water reactor (PWR)-based case studies, for which it autonomously generates IFC-compliant 3D models in minutes, drastically reducing workflows that typically require hours of manual effort. The generated model demonstrates topologically correct equipment placement, physically plausible spatial relationships, and collision-free pipe routing consistent with known PWR loop configurations. This work represents a foundational step toward digital engineering for nuclear facility preliminary design, with future ongoing development targeting design code compliance and expanded system complexity.

97 - MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Building a Simplistic Automatic Extruder: Instrument Development Opportunities for the Laboratory

This work presents an automatic extruder as a research experience for undergraduate students. The system offers a user-friendly approach to preparing vesicles, such as liposomes or polymersomes, with a defined size and polydispersity properties crucial for research in biology and macromolecules. It comprises two syringe pumps connected by a membrane filter. The setup is controlled by software. Compared to manual extrusion, this automated system provides advantages, such as precisely controlled variables. The project describes a tool to enhance undergraduate learning in science and engineering laboratories. Building an automatic extruder serves as a simplified model of a complex industrial process. It offers a clear advantage: automating a well-understood manual extrusion process. To make this project accessible, it is broken down into three manageable tasks: software development, hardware assembly, and testing procedures. This breakdown describes the software created, the hardware components used, and the testing procedures conducted for this project. All project data, including software code, testing data, and procedures, are freely available online. This allows undergraduate students to not only begin their own projects but also contribute to this educational instrument’s ongoing development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1977

A procedure for merging land cover/use data from Landsat, aerial photography, and map sources - Compatibility, accuracy and cost

A method is developed to merge land cover/use data from Landsat, aerial photography and map sources into a grid-based geographic information system. The method basically involves computer-assisted categorization of Landsat data to provide certain user-specified land cover categories; manual interpretation of aerial photography to identify other selected land cover/use categories that cannot be obtained from Landsat data; identification of special features from aerial photography or map sources; merging of the interpreted data from all the sources into a computer compatible file under a standardized coding structure; and the production of land cover/use maps, thematic maps, and tabular data. The specific tasks accomplished in producing the merged land cover/use data file and subsequent output products are identified and discussed. It is shown that effective implementation of the merging method is critically dependent on selecting the 'best' data source for each user-specified category in terms of accuracy and time/cost tradeoffs.

Enslin, W. R.↗

NASA NTRS2008

An Overview of Starfish: A Table-Centric Tool for Interactive Synthesis

Engineering is an interactive process that requires intelligent interaction at many levels. My thesis [1] advances an engineering discipline for high-level synthesis and architectural decomposition that integrates perspicuous representation, designer interaction, and mathematical rigor. Starfish, the software prototype for the design method, implements a table-centric transformation system for reorganizing control-dominated system expressions into high-level architectures. Based on the digital design derivation (DDD) system a designer-guided synthesis technique that applies correctness preserving transformations to synchronous data flow specifications expressed as co- recursive stream equations Starfish enhances user interaction and extends the reachable design space by incorporating four innovations: behavior tables, serialization tables, data refinement, and operator retiming. Behavior tables express systems of co-recursive stream equations as a table of guarded signal updates. Developers and users of the DDD system used manually constructed behavior tables to help them decide which transformations to apply and how to specify them. These design exercises produced several formally constructed hardware implementations: the FM9001 microprocessor, an SECD machine for evaluating LISP, and the SchemEngine, garbage collected machine for interpreting a byte-code representation of compiled Scheme programs. Bose and Tuna, two of DDD s developers, have subsequently commercialized the design derivation methodology at Derivation Systems, Inc. (DSI). DSI has formally derived and validated PCI bus interfaces and a Java byte-code processor; they further executed a contract to prototype SPIDER-NASA's ultra-reliable communications bus. To date, most derivations from DDD and DRS have targeted hardware due to its synchronous design paradigm. However, Starfish expressions are independent of the synchronization mechanism; there is no commitment to hardware or globally broadcast clocks. Though software back-ends for design derivation are limited to the DDD stream-interpreter, targeting synchronous or real-time software is not substantively different from targeting hardware.

Tsow, Alex↗

DOE OSTI2025

Sierra/SolidMechanics Verification Tests Manual (V.5.24)

Presented in this document is a small portion of the tests that exist in the Sierra/SolidMechanics(Sierra/SM) verification test suite. Most of these tests are run nightly with the Sierra/SM codesuite, and the results of the test are checked versus the correct analytical result. For each of thetests presented in this document, the test setup, a description of the analytic solution, andcomparison of the Sierra/SM code results to the analytic solution is provided. Mesh convergenceis also check

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Selected Uses of TSUNAMI in Critical Experiment Design and Analysis

Validation in criticality safety is performed by comparing the results of critical experiments with the calculated results from models of the experiments using the computational method to be validated. Laboratory critical experiments are controlled systems that achieve a k eff of approximately 1 and enable investigation of the parameters at which such a critical condition is achieved. For the critical experiments used in a validation to capture the biases of the materials and neutron energy spectra of interest, those materials must be included in the experiment such that they influence k eff or another observable parameter with statistical significance. This paper discusses the use of sensitivity uncertainty (S/U) methods to develop critical experiments for various purposes. S/U techniques are useful for understanding the underlying components of nuclear data which affect the k eff or another parameter of a given configuration. S/U calculations are most commonly used to compare existing experiments to applications of interest; however, S/U techniques can also be used to identify, optimize, or assess features of proposed experiments so that they can better test specific portions of nuclear data or match an application of interest. The S/U techniques discussed here are from the TSUNAMI code system. The two primary codes discussed in this work are TSUNAMI-3D, which implements the KENO criticality code to calculate the sensitivity of k eff to nuclear data, and TSAR, which calculates the sensitivity of a reactivity difference between two configurations based on their TSUNAMI-3D generated sensitivity profiles. The methods used in these tools are discussed in more detail in the SCALE manual. This paper is one of a series on the development and use of TSUNAMI tools. The other papers address development of TSUNAMI methods and a review of TSUNAMI applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1986

User's manual for XTRAN2L (version 1.2): A program for solving the general-frequency unsteady transonic small-disturbance equation

The development, use and operation of the XTRAN2L program that solves the two dimensional unsteady transonic small disturbance potential equation are described. The XTRAN2L program is used to calculate steady and unsteady transonic flow fields about airfoils and is capable of performing self contained transonic flutter calculations. Operation of the XTRAN2L code is described, and tables defining all input variables, including default values, are presented. Sample cases that use various program options are shown to illustrate operation of XTRAN2L. Computer listings containing input and selected output are included as an aid to the user.

Seidel, D. A.↗

NASA NTRS2008

Using Pipelined XNOR Logic to Reduce SEU Risks in State Machines

Single-event upsets (SEUs) pose great threats to avionic systems state machine control logic, which are frequently used to control sequence of events and to qualify protocols. The risks of SEUs manifest in two ways: (a) the state machine s state information is changed, causing the state machine to unexpectedly transition to another state; (b) due to the asynchronous nature of SEU, the state machine's state registers become metastable, consequently causing any combinational logic associated with the metastable registers to malfunction temporarily. Effect (a) can be mitigated with methods such as triplemodular redundancy (TMR). However, effect (b) cannot be eliminated and can degrade the effectiveness of any mitigation method of effect (a). Although there is no way to completely eliminate the risk of SEU-induced errors, the risk can be made very small by use of a combination of very fast state-machine logic and error-detection logic. Therefore, one goal of two main elements of the present method is to design the fastest state-machine logic circuitry by basing it on the fastest generic state-machine design, which is that of a one-hot state machine. The other of the two main design elements is to design fast error-detection logic circuitry and to optimize it for implementation in a field-programmable gate array (FPGA) architecture: In the resulting design, the one-hot state machine is fitted with a multiple-input XNOR gate for detection of illegal states. The XNOR gate is implemented with lookup tables and with pipelines for high speed. In this method, the task of designing all the logic must be performed manually because no currently available logic synthesis software tool can produce optimal solutions of design problems of this type. However, some assistance is provided by a script, written for this purpose in the Python language (an object-oriented interpretive computer language) to automatically generate hardware description language (HDL) code from state-transition rules.

Le, Martin↗

DOE OSTI2022

MPACT Verification and Validation Manual (V.4.3)

As the VERA SQA plan requires, it is the responsibility of the University of Michigan (UM) and Oak Ridge National Laboratory (ORNL), as co-owners of MPACT, to ensure that verification and validation activities are performed and documented in a V&V manual with supporting publications and CASL technical reports which can be provided for reference and distribution within VERA. This document provides the current revision of the MPACT verification and validation (V&V) manual and describes the current state of MPACT V&V and updates the plans for future MPACT V&V activities. The following sections provide an overview of the V&V process used in MPACT, as well as a summary of the status of each component of V&V in the code.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

MPACT Verification and Validation Manual Version 4.4

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

PETSc Users Manual (Rev. 3.13)

This manual describes the use of PETSc for the numerical solution of partial differential equations and related problems on high-performance computers. The Portable, Extensible Toolkit for Scientific Computation (PETSc) is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all message-passing communication. PETSc includes an expanding suite of parallel linear solvers, nonlinear solvers, and time integrators that may be used in application codes written in Fortran, C, C++, and Python. PETSc provides many of the mechanisms needed within parallel application codes, such as parallel matrix and vector assembly routines. The library is organized hierarchically, enabling users to employ the level of abstraction that is most appropriate for a particular problem. By using techniques of object-oriented programming, PETSc provides enormous flexibility for users. PETSc is a sophisticated set of software tools; as such, for some users it initially has a much steeper learning curve than a simple subroutine library. In particular, for individuals without some computer science background, experience programming in C, C++, python, or Fortran and experience using a debugger such as gdb or dbx, it may require a significant amount of time to take full advantage of the features that enable efficient software use. However, the power of the PETSc design and the algorithms it incorporates may make the efficient implementation of many application codes simpler than \rolling them" yourself.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

PETSc Users Manual (Revision 3.15)

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) for the numerical solution of partial differential equations and related problems on high-performance computers. PETSc is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication.

97 MATHEMATICS AND COMPUTING↗