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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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At least 91 records · Page 5

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NASA NTRS2005

Java-based Graphical User Interface for MAVERIC-II

A computer program entitled "Marshall Aerospace Vehicle Representation in C II, (MAVERIC-II)" is a vehicle flight simulation program written primarily in the C programming language. It is written by James W. McCarter at NASA/Marshall Space Flight Center. The goal of the MAVERIC-II development effort is to provide a simulation tool that facilitates the rapid development of high-fidelity flight simulations for launch, orbital, and reentry vehicles of any user-defined configuration for all phases of flight. MAVERIC-II has been found invaluable in performing flight simulations for various Space Transportation Systems. The flexibility provided by MAVERIC-II has allowed several different launch vehicles, including the Saturn V, a Space Launch Initiative Two-Stage-to-Orbit concept and a Shuttle-derived launch vehicle, to be simulated during ascent and portions of on-orbit flight in an extremely efficient manner. It was found that MAVERIC-II provided the high fidelity vehicle and flight environment models as well as the program modularity to allow efficient integration, modification and testing of advanced guidance and control algorithms. In addition to serving as an analysis tool for techno logy development, many researchers have found MAVERIC-II to be an efficient, powerful analysis tool that evaluates guidance, navigation, and control designs, vehicle robustness, and requirements. MAVERIC-II is currently designed to execute in a UNIX environment. The input to the program is composed of three segments: 1) the vehicle models such as propulsion, aerodynamics, and guidance, navigation, and control 2) the environment models such as atmosphere and gravity, and 3) a simulation framework which is responsible for executing the vehicle and environment models and propagating the vehicle s states forward in time and handling user input/output. MAVERIC users prepare data files for the above models and run the simulation program. They can see the output on screen and/or store in files and examine the output data later. Users can also view the output stored in output files by calling a plotting program such as gnuplot. A typical scenario of the use of MAVERIC consists of three-steps; editing existing input data files, running MAVERIC, and plotting output results.

Seo, Suk Jai↗

DOE OSTI2025

Q3 Report for FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment

This report describes the work and activities carried out towards the completion of each of the following milestones in FY25 Q3: 1. Demonstrate workflow for generating self-consistent CESOL plasma profiles + first wall and divertor loading prediction and generate the CAT plasma and neutron loading needed for further engineering analysis. • Benchmark between two first wall heat flux mapping methods, identify importance of various heat flux sources and physics impact of using fully coupled CESOL vs post-analysis evaluation. 2. Generate medium fidelity parametrized CAD. • Generate parametrized CAD components for the CAT example case via either user-defined modules called within the geometry generation or by defeatured/parametrized CAD, including DCLL blanket matched to divertor boundary and magnets. Define materials, labels, and boundary conditions for passing the mesh to CFD tools. 3. Demonstrate multiphysics magnet analysis. • Demonstrate magnet analysis workflow called from the FREDA workflow, and 4. Demonstrate nuclear analysis. • Add model to OpenFOAM and/or other codes possibly including Diablo to account for tritium diffusion in solids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1989

A new approach to global control of redundant manipulators

A new and simple approach to configuration control of redundant manipulators is presented. In this approach, the redundancy is utilized to control the manipulator configuration directly in task space, where the task will be performed. A number of kinematic functions are defined to reflect the desirable configuration that will be achieved for a given end-effector position. The user-defined kinematic functions and the end-effector Cartesian coordinates are combined to form a set of task-related configuration variables as generalized coordinates for the manipulator. An adaptive scheme is then utilized to globally control the configuration variables so as to achieve tracking of some desired reference trajectories. This accomplishes the basic task of desired end-effector motion, while utilizing the redundancy to achieve any additional task through the desired time variation of the kinematic functions. The control law is simple and computationally very fast, and does not require the complex manipulator dynamic model.

Seraji, Homayoun↗

NASA NTRS1997

ZIP2DL: An Elastic-Plastic, Large-Rotation Finite-Element Stress Analysis and Crack-Growth Simulation Program

ZIP2DL is a two-dimensional, elastic-plastic finte element program for stress analysis and crack growth simulations, developed for the NASA Langley Research Center. It has many of the salient features of the ZIP2D program. For example, ZIP2DL contains five material models (linearly elastic, elastic-perfectly plastic, power-law hardening, linear hardening, and multi-linear hardening models), and it can simulate mixed-mode crack growth for prescribed crack growth paths under plane stress, plane strain and mixed state of stress conditions. Further, as an extension of ZIP2D, it also includes a number of new capabilities. The large-deformation kinematics in ZIP2DL will allow it to handle elastic problems with large strains and large rotations, and elastic-plastic problems with small strains and large rotations. Loading conditions in terms of surface traction, concentrated load, and nodal displacement can be applied with a default linear time dependence or they can be programmed according to a user-defined time dependence through a user subroutine. The restart capability of ZIP2DL will make it possible to stop the execution of the program at any time, analyze the results and/or modify execution options and resume and continue the execution of the program. This report includes three sectons: a theoretical manual section, a user manual section, and an example manual secton. In the theoretical secton, the mathematics behind the various aspects of the program are concisely outlined. In the user manual section, a line-by-line explanation of the input data is given. In the example manual secton, three types of examples are presented to demonstrate the accuracy and illustrate the use of this program.

Deng, Xiaomin↗

NASA NTRS1990

Local sensory control of a dexterous end effector

A numerical scheme was developed to solve the inverse kinematics for a user-defined manipulator. The scheme was based on a nonlinear least-squares technique which determines the joint variables by minimizing the difference between the target end effector pose and the actual end effector pose. The scheme was adapted to a dexterous hand in which the joints are either prismatic or revolute and the fingers are considered open kinematic chains. Feasible solutions were obtained using a three-fingered dexterous hand. An algorithm to estimate the position and orientation of a pre-grasped object was also developed. The algorithm was based on triangulation using an ideal sensor and a spherical object model. By choosing the object to be a sphere, only the position of the object frame was important. Based on these simplifications, a minimum of three sensors are needed to find the position of a sphere. A two dimensional example to determine the position of a circle coordinate frame using a two-fingered dexterous hand was presented.

Pinto, Victor H.↗

NASA NTRS2008

SPICE Module for the Satellite Orbit Analysis Program (SOAP)

A SPICE module for the Satellite Orbit Analysis Program (SOAP) precisely represents complex motion and maneuvers in an interactive, 3D animated environment with support for user-defined quantitative outputs. (SPICE stands for Spacecraft, Planet, Instrument, Camera-matrix, and Events). This module enables the SOAP software to exploit NASA mission ephemeris represented in the JPL Ancillary Information Facility (NAIF) SPICE formats. Ephemeris types supported include position, velocity, and orientation for spacecraft and planetary bodies including the Sun, planets, natural satellites, comets, and asteroids. Entire missions can now be imported into SOAP for 3D visualization, playback, and analysis. The SOAP analysis and display features can now leverage detailed mission files to offer the analyst both a numerically correct and aesthetically pleasing combination of results that can be varied to study many hypothetical scenarios. The software provides a modeling and simulation environment that can encompass a broad variety of problems using orbital prediction. For example, ground coverage analysis, communications analysis, power and thermal analysis, and 3D visualization that provide the user with insight into complex geometric relations are included. The SOAP SPICE module allows distributed science and engineering teams to share common mission models of known pedigree, which greatly reduces duplication of effort and the potential for error. The use of the software spans all phases of the space system lifecycle, from the study of future concepts to operations and anomaly analysis. It allows SOAP software to correctly position and orient all of the principal bodies of the Solar System within a single simulation session along with multiple spacecraft trajectories and the orientation of mission payloads. In addition to the 3D visualization, the user can define numeric variables and x-y plots to quantitatively assess metrics of interest.

Coggi, John↗

DOE OSTI2026

Mass Spectrometer Transient Analysis

This software implements a complete preprocessing pipeline for transient mass spectrometry (MS) data collected during TAP (Temporal Analysis of Products) experiments. It is designed to extract chemically meaningful fluxes from overlapping ion signals by applying a calibrated defragmentation matrix and solving the resulting linear system using non-negative least squares (NNLS) regression. The core script, preprocess_mass_spec.py, performs the following operations: Gain correction: Applies amplifier gain scalars derived from inert-packed calibration pulses to normalize signal intensities across AMUs and acquisition settings. Background subtraction: Removes experiment baselines using user-defined time windows, ensuring compatibility with slow-diffusing species and preventing negative values that would interfere with NNLS. Options to subtract before and after defragmentation. Defragmentation: Constructs a fragmentation matrix A from zeroth moments of calibration pulses (equal molar gas:inert mixtures) and solves Ax=b at each time point, where b is the raw MS signal and x is the estimated species flux. The matrix is normalized to inert signals and accounts for instrument-specific fragmentation behavior. Pulse-mode handling: Supports both averaged and individual pulse modes, enabling statistical treatment of fluxes and calculation of standard deviations. Integration and output: Computes zeroth moments (integrated fluxes) and exports time-resolved and integrated data in CSV format, suitable for downstream kinetic modeling. The software is validated using both virtual TAP simulations (VTAP) and experimental data from propane dehydrogenation (PDH) on CrOx/Al2O3 catalysts. It preserves temporal resolution by applying NNLS point-by-point across the pulse duration (typically 6,000+ time slices per pulse), leveraging the linear superposition principle to reconstruct full flux profiles. The defragmented outputs are compatible with kinetic extraction methods such as the G and Y procedures, which are used to derive rate–concentration relationships from TAP data. The details of these validations are discussed in detail in the supporting manuscript and supporting information. Example data and output files are also included. The methodology is robust to experimental noise and drift, with calibration protocols that account for pulse size effects, MS aging, and inert gas normalization. The software is modular, reproducible, and tailored for high-throughput TAP-MS workflows in catalysis research.

Kristy, Stephen [Idaho National Laboratory (INL), ↗

DOE OSTI2026

Mesoscale atomic engineering in a crystal lattice

Controlling individual atoms using lasers, ion traps and scanning probe tips has transformed our understanding of matter and enabled breakthroughs in quantum science. Extending this control into three-dimensional (3D) solids and across mesoscopic scales, however, remains a foundational challenge. Electron irradiation in electron microscopes is known to induce atomic displacements, and atomic manipulation has been proposed and demonstrated. Yet repeated and deterministic control has remained elusive. Here, in this study, we demonstrate deterministic atomic engineering in a 3D crystal, creating ordered arrangements of more than 40,000 user-defined defects within minutes across a 150 nm × 100 nm × 13 nm volume. By steering individual Cr atoms in the magnetic semiconductor CrSBr into selected interstitial sites using an electron beam directed with sub-20-pm-scale accuracy, we create vacancy–interstitial complexes. The resulting impurity array forms a mesoscale crystal embedded within the host lattice, a new form of engineered artificial matter that remains stable at room temperature and outside the microscope. By tracking Cr atom displacements, we identify conditions under which the defect structures are predictable. Our calculations suggest that these defects form correlated impurity states with intra-defect optical transitions and inter-defect kinetic and Coulomb interactions. This establishes a generalizable platform for atomic defect engineering at mesoscopic, and potentially macroscopic, scales, opening opportunities for scalable quantum technologies, including deterministic colour-centre placement, quantum simulation of many-body lattice models and atomic-scale manufacturing.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1991

Method and apparatus for configuration control of redundant robots

A method and apparatus to control a robot or manipulator configuration over the entire motion based on augmentation of the manipulator forward kinematics is disclosed. A set of kinematic functions is defined in Cartesian or joint space to reflect the desirable configuration that will be achieved in addition to the specified end-effector motion. The user-defined kinematic functions and the end-effector Cartesian coordinates are combined to form a set of task-related configuration variables as generalized coordinates for the manipulator. A task-based adaptive scheme is then utilized to directly control the configuration variables so as to achieve tracking of some desired reference trajectories throughout the robot motion. This accomplishes the basic task of desired end-effector motion, while utilizing the redundancy to achieve any additional task through the desired time variation of the kinematic functions. The present invention can also be used for optimization of any kinematic objective function, or for satisfaction of a set of kinematic inequality constraints, as in an obstacle avoidance problem. In contrast to pseudoinverse-based methods, the configuration control scheme ensures cyclic motion of the manipulator, which is an essential requirement for repetitive operations. The control law is simple and computationally very fast, and does not require either the complex manipulator dynamic model or the complicated inverse kinematic transformation. The configuration control scheme can alternatively be implemented in joint space.

Seraji, Homayoun↗

DOE OSTI2025

PV Degradation Modeling: Applying Geospatial Workflows with "PVDeg"

Accurate degradation modeling is essential for predicting photovoltaic (PV) module performance, estimating longevity and informing design decisions. With degradation rates varying significantly by location, geospatial analysis is critical for PV and broader applications, such as agrivoltaics, weathering and environmental data analysis. This work presents PVDeg, an open-source tool designed for geospatial degradation analysis. PVDeg integrates meteorological data from global sources, including the National Solar Radiation Database (NSRDB) and Photovoltaic Geographical Information System (PVGIS), with degradation models. The toolkit enables users to customize geospatial workflows by integrating weather data, material parameters, and user-defined Python functions. It facilitates accelerated downloads of NSRDB and PVGIS datasets and optimizes geospatial point selection to preserve data density in regions of interest. Additionally, PVDeg provides a local database for storage and spatial queries, supporting large-scale analyses without the need for high-performance computing (HPC) resources. PVDeg provides a foundational workflow that extends its utility beyond PV applications, enabling researchers to analyze geospatial processes across discipline.

14 SOLAR ENERGY↗

DOE OSTI2025

Kernel Manifolds: Nonlinear‐Augmentation Dimensionality Reduction Using Reproducing Kernel Hilbert Spaces

This paper generalizes recent advances on quadratic manifold (QM) dimensionality reduction by developing kernel methods-based nonlinear-augmentation dimensionality reduction. QMs, and more generally feature map-based nonlinear corrections, augment linear dimensionality reduction with a nonlinear correction term in the reconstruction map to overcome approximation accuracy limitations of purely linear approaches. While feature map-based approaches typically learn a least squares optimal polynomial correction term, we generalize this approach by learning an optimal nonlinear correction from a user-defined reproducing kernel Hilbert space. Our approach allows one to impose arbitrary nonlinear structure on the correction term, including polynomial structure, and includes feature map and radial basis function-based corrections as special cases. Furthermore, our method has relatively low training cost and has monotonically decreasing error as the latent space dimension increases. In conclusion, we compare our approach to proper orthogonal decomposition and several recent QM approaches on data from several example problems.

kernel methods↗

DOE OSTI2025

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗

DOE OSTI2025

Flexible Integration of Diverse HVAC Technologies in EnergyPlus via Python-Enabled Workflows

Analysis of advanced controls and novel system types is often not directly feasible in building energy simulation tools. Various techniques extend building energy simulation tool capabilities to allow the use of user-defined scripts and programs, but these approaches have limitations. The EnergyPlus Python plugin offers users new flexibility to use EnergyPlus to call an external Python module at specific points in the simulation, as well as to use Python to call EnergyPlus functionality through an application programming interface (API). This paper presents four case studies leveraging the EnergyPlus Python plugin to facilitate analysis of advanced controls and system types. The use of the Python plugin offers greater modularity and flexibility relative to previous approaches, is less error prone, and is simpler for users to adopt. The Python plugin allows EnergyPlus to be used in a more flexible manner and to accommodate the expanding realm of energy modeling applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

User-Defined Types as Task Parameters and Arguments in FleCSI

FleCSI is a C++ framework for writing multi-physics simulations. FleCSI abstracts away complicated backends, enabling high performance while eliminating the need for users to directly manage memory and execution. This is done via FleCSI’s data and execution model.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

PRIMO – The Oil & Gas Well Plugging Optimizer

This work presents PRIMO’s main capabilities and introduces the PRIMO web application, an intuitive user interface that leverages our sophisticated mathematical optimization model to rigorously optimize P&A priorities and plugging campaign efficiency. The web app simplifies user interaction, provides a powerful data management framework, and supports a broad user base (e.g., state agencies, well owners/operators, and plugging companies) to use PRIMO for decision-making. Specifically, we provide a demonstration of how to input the information on candidate wells, plugging campaign budget, user-defined priority and efficiency criteria to PRIMO. A real-world case study that consists of 1411 oil and gas wells and impact and efficiency priorities (e.g., well age, well proximity to schools/hospitals, well accessibility, distance between wells in projects) is presented to showcase PRIMO’s core capabilities: (i) ranking a candidate well population based on priorities, (ii) recommending high-impact and high-efficiency P&A projects, and (iii) assigning impact and efficiency scores to projects allowing for rigorous quantitative comparison among them.

02 PETROLEUM↗

NASA NTRS2001

A Comparison of Three-Dimensional Simulations of Traveling-Wave Tube Cold-Test Characteristics Using CST MICROWAVE STUDIO and MAFIA

Previously, it was shown that MAFIA (solutions of Maxwell's equations by the Finite Integration Algorithm), a three-dimensional simulation code, can be used to produce accurate cold-test characteristics including frequency-phase dispersion, interaction impedance, and attenuation for traveling-wave tube (TWT) slow-wave structures. In an effort to improve user-friendliness and simulation time, a model was developed to compute the cold-test parameters using the electromagnetic field simulation software package CST MICROWAVE STUDIO (MWS). Cold-test parameters were calculated for several slow-wave circuits including a ferruled coupled-cavity, a folded waveguide, and a novel finned-ladder circuit using both MWS and MAFIA. Comparisons indicate that MWS provides more accurate cold-test data with significantly reduced simulation times. Both MAFIA and MWS are based on the finite integration (FI) method; however, MWS has several advantages over MAFIA. First, it has a Windows based interface for PC operation, making it very user-friendly, whereas MAFIA is UNIX based. MWS uses a new Perfect Boundary Approximation (PBA), which increases the accuracy of the simulations by avoiding stair step approximations associated with MAFIA's representation of structures. Finally, MWS includes a Visual Basic for Applications (VBA) compatible macro language that enables the simulation process to be automated and allows for the optimization of user-defined goal functions, such as interaction impedance.

Chevalier, C. T.↗

NASA NTRS1996

User-Centered Indexing for Adaptive Information Access

We are focusing on information access tasks characterized by large volume of hypermedia connected technical documents, a need for rapid and effective access to familiar information, and long-term interaction with evolving information. The problem for technical users is to build and maintain a personalized task-oriented model of the information to quickly access relevant information. We propose a solution which provides user-centered adaptive information retrieval and navigation. This solution supports users in customizing information access over time. It is complementary to information discovery methods which provide access to new information, since it lets users customize future access to previously found information. It relies on a technique, called Adaptive Relevance Network, which creates and maintains a complex indexing structure to represent personal user's information access maps organized by concepts. This technique is integrated within the Adaptive HyperMan system, which helps NASA Space Shuttle flight controllers organize and access large amount of information. It allows users to select and mark any part of a document as interesting, and to index that part with user-defined concepts. Users can then do subsequent retrieval of marked portions of documents. This functionality allows users to define and access personal collections of information, which are dynamically computed. The system also supports collaborative review by letting users share group access maps. The adaptive relevance network provides long-term adaptation based both on usage and on explicit user input. The indexing structure is dynamic and evolves over time. Leading and generalization support flexible retrieval of information under similar concepts. The network is geared towards more recent information access, and automatically manages its size in order to maintain rapid access when scaling up to large hypermedia space. We present results of simulated learning experiments.

Chen, James R.↗

NASA NTRS2007

Callable Virtual Observatory Functionality: Sample Use Cases

A virtual observatory with an Application Programming Interface (API) can become a powerful tool in analysis and modeling. In particular, an API that integrates time selection on such criteria as "most recent" and closest to a given absolute time simplifies the user-end programming considerably. We examine three types of use cases (nowcasting, data assimilation input, and user-defined sampling rates) for such functionality in the Virtual Solar Observatory (VSO).

Gurman, Joseph B.↗