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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 217 records · Page 12

Roadrunner

SAND2026-17073O Roadrunner software provides a comprehensive platform for simulating the mechanical behavior of crystalline materials under various loading conditions, allowing users to investigate the effects of dislocation slip hardening and damage evolution. Developed as a fork of the Multiphysics Object Oriented Simulation Environment (MOOSE) software from Idaho National Laboratory, Roadrunner is optimized for high-performance computing and can simulate large-scale problems, enabling researchers to explore complex scenarios. Its applications include material design and optimization in aerospace and automotive industries, investigation of failure mechanisms in structural materials, and development of predictive models for crystalline materials under various loading conditions. 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.

Lim, Hojun [Sandia National Lab. (SNL-CA), Livermo↗

Using XML and Java Technologies for Astronomical Instrument Control

Traditionally, instrument command and control systems have been highly specialized, consisting mostly of custom code that is difficult to develop, maintain, and extend. Such solutions are initially very costly and are inflexible to subsequent engineering change requests, increasing software maintenance costs. Instrument description is too tightly coupled with details of implementation. NASA Goddard Space Flight Center, under the Instrument Remote Control (IRC) project, is developing a general and highly extensible framework that applies to any kind of instrument that can be controlled by a computer. The software architecture combines the platform independent processing capabilities of Java with the power of the Extensible Markup Language (XML), a human readable and machine understandable way to describe structured data. A key aspect of the object-oriented architecture is that the software is driven by an instrument description, written using the Instrument Markup Language (IML), a dialect of XML. IML is used to describe the command sets and command formats of the instrument, communication mechanisms, format of the data coming from the instrument, and characteristics of the graphical user interface to control and monitor the instrument. The IRC framework allows the users to define a data analysis pipeline which converts data coming out of the instrument. The data can be used in visualizations in order for the user to assess the data in real-time, if necessary. The data analysis pipeline algorithms can be supplied by the user in a variety of forms or programming languages. Although the current integration effort is targeted for the High-resolution Airborne Wideband Camera (HAWC) and the Submillimeter and Far Infrared Experiment (SAFIRE), first-light instruments of the Stratospheric Observatory for Infrared Astronomy (SOFIA), the framework is designed to be generic and extensible so that it can be applied to any instrument. Plans are underway to test the framework with other types of instruments, such as remote sensing earth science instruments.

Ames, Troy↗

Providing a Flexible and Comprehensive Software Stack Via Spack, an Extreme-Scale Scientific Software Stack, and Software Development Kits

To manage the complex demands of modern high-performance computing (HPC), software applications increasingly depend on software developed by other teams, often at other institutions. An HPC software ecosystem approach is required to support dependencies on third-party scientific software. An ecosystem approach provides layers of activity above the individual software product level that promote interoperability, quality improvement, porting, testing, and deployment. The U.S. Exascale Computing Project (ECP) developed its HPC software ecosystem using a three-pronged approach. First, the ECP adopted and invested in Spack, a package manager designed to handle complex HPC package dependencies. Second, the ECP created the Extreme Scale Scientific Software Stack, an effort that supports developing, deploying, and running scientific applications on HPC platforms. Third, the ECP supported software product communities, or software development kits, to develop and promote best practices, improve software interoperability, and other collaborative efforts. This article describes ECP contributions to HPC software ecosystem challenges.

97 MATHEMATICS AND COMPUTING↗

A Roadmap for using Agile Development in a Traditional System

I. Ensemble Development Group: a) Produces activity planning software for in spacecraft; b) Built on Eclipse Rich Client Platform (open source development and runtime software); c) Funded by multiple sources including the Mars Technology Program; d) Incorporated the use of Agile Development. II. Next Generation Uplink Planning System: a) Researches the Activity Planning and Sequencing Subsystem for Mars Science Laboratory (APSS); b) APSS includes Ensemble, Activity Modeling, Constraint Checking, Command Editing and Sequencing tools plus other uplink generation utilities; c) Funded by the Mars Technology Program; d) Integrates all of the tools for APSS.

uplink planning systems↗

SCA Waveform Development for Space Telemetry

The NASA Glenn Research Center is investigating and developing suitable reconfigurable radio architectures for future NASA missions. This effort is examining software-based open-architectures for space based transceivers, as well as common hardware platform architectures. The Joint Tactical Radio System's (JTRS) Software Communications Architecture (SCA) is a candidate for the software approach, but may need modifications or adaptations for use in space. An in-house SCA compliant waveform development focuses on increasing understanding of software defined radio architectures and more specifically the JTRS SCA. Space requirements put a premium on size, mass, and power. This waveform development effort is key to evaluating tradeoffs with the SCA for space applications. Existing NASA telemetry links, as well as Space Exploration Initiative scenarios, are the basis for defining the waveform requirements. Modeling and simulations are being developed to determine signal processing requirements associated with a waveform and a mission-specific computational burden. Implementation of the waveform on a laboratory software defined radio platform is proceeding in an iterative fashion. Parallel top-down and bottom-up design approaches are employed.

Mortensen, Dale J.↗

Autonomous Rover Traverse and Precise Arm Placement on Remotely Designated Targets

This software controls a rover platform to traverse rocky terrain autonomously, plan paths, and avoid obstacles using its stereo hazard and navigation cameras. It does so while continuously tracking a target of interest selected from 10 20 m away. The rover drives and tracks the target until it reaches the vicinity of the target. The rover then positions itself to approach the target, deploys its robotic arm, and places the end effector instrument on the designated target to within 2-3-cm accuracy of the originally selected target. This software features continuous navigation in a fairly rocky field in an outdoor environment and the ability to enable the rover to avoid large rocks and traverse over smaller ones. Using point-and-click mouse commands, a scientist designates targets in the initial imagery acquired from the rover s mast cameras. The navigation software uses stereo imaging, traversability analysis, path planning, trajectory generation, and trajectory execution. It also includes visual target tracking of a designated target selected from 10 m away while continuously navigating the rocky terrain. Improvements in this design include steering while driving, which uses continuous curvature paths. There are also several improvements to the traversability analyzer, including improved data fusion of traversability maps that result from pose estimation uncertainties, dealing with boundary effects to enable tighter maneuvers, and handling a wider range of obstacles. This work advances what has been previously developed and integrated on the Mars Exploration Rovers by using algorithms that are capable of traversing more rock-dense terrains, enabling tight, thread-the-needle maneuvers. These algorithms were integrated on the newly refurbished Athena Mars research rover, and were fielded in the JPL Mars Yard. Forty-three runs were conducted with targets at distances ranging from 5 to 15 m, and a success rate of 93% was achieved for placement of the instrument within 2-3 cm of the target.

Nesnas, Issa A.↗

An integrated modeling framework with open architecture for phase field simulation of multi-component alloys

An integrated modeling framework (PanPhaseField) has been developed, which enables a direct and fast coupling between CALPHAD calculations and large-scale phase field simulations for multi-component alloys. Further, it adopts an open architecture allowing for integration of user-defined phase field models in a plug-and-play manner by taking full advantage of the user-friendly graphical interface of Pandat software. The developed modeling platform becomes an enabling tool that can be used to simulate the evolution of spatially varying microstructures of industrial complex alloys for various engineering applications.

36 MATERIALS SCIENCE↗

Pre-Hardware Optimization of Spacecraft Image Processing Software Algorithms and Hardware Implementation

Spacecraft telemetry rates have steadily increased over the last decade presenting a problem for real-time processing by ground facilities. This paper proposes a solution to a related problem for the Geostationary Operational Environmental Spacecraft (GOES-8) image processing application. Although large super-computer facilities are the obvious heritage solution, they are very costly, making it imperative to seek a feasible alternative engineering solution at a fraction of the cost. The solution is based on a Personal Computer (PC) platform and synergy of optimized software algorithms and re-configurable computing hardware technologies, such as Field Programmable Gate Arrays (FPGA) and Digital Signal Processing (DSP). It has been shown in [1] and [2] that this configuration can provide superior inexpensive performance for a chosen application on the ground station or on-board a spacecraft. However, since this technology is still maturing, intensive pre-hardware steps are necessary to achieve the benefits of hardware implementation. This paper describes these steps for the GOES-8 application, a software project developed using Interactive Data Language (IDL) (Trademark of Research Systems, Inc.) on a Workstation/UNIX platform. The solution involves converting the application to a PC/Windows/RC platform, selected mainly by the availability of low cost, adaptable high-speed RC hardware. In order for the hybrid system to run, the IDL software was modified to account for platform differences. It was interesting to examine the gains and losses in performance on the new platform, as well as unexpected observations before implementing hardware. After substantial pre-hardware optimization steps, the necessity of hardware implementation for bottleneck code in the PC environment became evident and solvable beginning with the methodology described in [1], [2], and implementing a novel methodology for this specific application [6]. The PC-RC interface bandwidth problem for the class of applications with moderate input-output data rates but large intermediate multi-thread data streams has been addressed and mitigated. This opens a new class of satellite image processing applications for bottleneck problems solution using RC technologies. The issue of a science algorithm level of abstraction necessary for RC hardware implementation is also described. Selected Matlab functions already implemented in hardware were investigated for their direct applicability to the GOES-8 application with the intent to create a library of Matlab and IDL RC functions for ongoing work. A complete class of spacecraft image processing applications using embedded re-configurable computing technology to meet real-time requirements, including performance results and comparison with the existing system, is described in this paper.

Kizhner, Semion↗

An Automated Detection Methodology for Dry Well-Mixed Layers

The intense surface heating over arid land surfaces produces dry well-mixed layers (WML) via dry convection. These layers are characterized by nearly constant potential temperature and low, nearly constant water vapor mixing ratio. To further the study of dry WMLs, we created a detection methodology and supporting software to automate the identification and characterization of dry WMLs from multiple data sources including rawinsondes, remote sensing platforms, and model products. The software is a modular code written in Python, an open source language. Radiosondes from a network of synoptic stations in North Africa were used to develop and test the WML detection process. The detection involves an iterative decision tree that ingests a vertical profile from an input data file, performs a quality check for sufficient data density, and then searches upward through the column for successive points where the simultaneous changes in water vapor mixing ratio and potential temperature are less than the specified maxima. If points in the vertical profile meet the dry WML identification criteria, statistics are generated detailing the characteristics of each layer in the profile. At the end of the vertical profile analysis, there is an option to plot analyzed profiles in a variety of file formats. Initial results show that the detection methodology can be successfully applied across a wide variety of input data and North African environments and for all seasons. It is sensitive enough to identify dry WMLs from other types of isentropic phenomena such as subsidence layers and distinguish the current day’s dry WML from previous days.

Stephen D. Nicholls↗

NASGRO 3.0: A Software for Analyzing Aging Aircraft

Structural integrity analysis of aging aircraft is a critical necessity in view of the increasing numbers of such aircraft in general aviation, the airlines and the military. Efforts are in progress by NASA, the FAA and the DoD to focus attention on aging aircraft safety. The present paper describes the NASGRO software which is well-suited for effectively analyzing the behavior of defects that may be found in aging aircraft. The newly revised Version 3.0 has many features specifically implemented to suit the needs of the aircraft community. The fatigue crack growth computer program NASA/FLAGRO 2.0 was originally developed to analyze space hardware such as the Space Shuttle, the International Space Station and the associated payloads. Due to popular demand, the software was enhanced to suit the needs of the aircraft industry. Major improvements in Version 3.0 are the incorporation of the ability to read aircraft spectra of unlimited size, generation of common aircraft fatigue load blocks, and the incorporation of crack-growth models which include load-interaction effects such as retardation due to overloads and acceleration due to underloads. Five new crack-growth models, viz., generalized Willenborg, modified generalized Willenborg, constant closure model, Walker-Chang model and the deKoning-Newman strip-yield model, have been implemented. To facilitate easier input of geometry, material properties and load spectra, a Windows-style graphical user interface has been developed. Features to quickly change the input and rerun the problem as well as examine the output are incorporated. NASGRO has been organized into three modules, the crack-growth module being the primary one. The other two modules are the boundary element module and the material properties module. The boundary-element module provides the ability to model and analyze complex two-dimensional problems to obtain stresses and stress-intensity factors. The material properties module allows users to store and curve-fit fatigue-crack growth data. On-line help and documentation are provided for each of the modules. In addition to the popular PC windows version, a unix-based X-windows version of NASGRO is also available. A portable C++ class library called WxWindows was used to facilitate cross-platform availability of the software.

Mettu, S. R.↗

Implementing Artificial Thinking Autonomy with Model-Based System Engineering

Complex autonomous systems capable of successfully operating independently under ‘known unknowns’ and harsh conditions require paradigm innovation in modern development strategies. In the field of autonomy, developing a system-of-systems which can ostensibly think for itself in the face of ‘unknown unknowns’ is still a field of ongoing research. Maturing the systems architecting and modeling methodologies for developing henceforth named Thinking Autonomous Systems, which are verified with digital mission simulation, can potentially usher in the next generation of artificial intelligence for space exploration. The concept presented in this paper incorporates multiple Model-Based Systems Engineering and simulation methodologies combined as a new paradigm to design a novel, biomimetic thinking autonomy strategy. Anachronistic concepts from classical Kantian philosophy will be leveraged to inspire architectural designs that could be used for complex distributed systems in deep space. To accomplish this, digital transformation of a document-based implementation plan for Thinking Autonomous Systems, generated by experienced NASA software engineers, is implemented for NASA’s Platform for Autonomous Systems by creating descriptive and executable software models in SysML to prototype real-time operating capabilities. This conceptual implementation has been developed by incorporating model-based digital simulations to theorize how a cyberphysical thinking system would achieve specific strategies without crew reliance, while simultaneously being resilient to all operating conditions and remaining functional when devoid of ground communication. Additionally, ensuring that an autonomous system framework is an ethical Artificial Intelligence requires careful consideration of system behavior and accountability, human factors for teaming with a thinking autonomous system, and comparison to other modern approaches used for implementing true autonomy. This paper presents the first steps in formalizing the metacognition required for instantiating a truly Thinking Autonomous System; the approach described symphonizes autonomy characteristics from classical philosophical into a unified software architecture describing human thought. In the future, the foundational models described in this paper can be further leveraged to help advance research into thinking autonomy requirements for future deep space missions as well as for current near-term applications, i.e., living aboard crewed spacecraft like a NASA Gateway cislunar habitat.

Artificial Thought↗

S-band Network Analysis and Strategies for LEO Multi-CubeSat Science Missions

This paper presents the network architecture utilized at NASA’s Goddard Space Flight Center (GSFC) to support a mission set of five 6U CubeSats. These five CubeSats employ a multi-waveform Software Defined Radio (SDR) platform developed by Vulcan Wireless for use with NASA’s Space Relay (SR) and Direct to Earth (DTE) networks. The performance testing of the SDR is discussed via a comprehensive S-band and communication link analysis. The tested capabilities of the SDR and antenna components are reviewed in terms of the mission requirements for each CubeSat. Size Weight and Power (SWaP), required availability, and access times are discussed. The measured data from experimental compatibility testing is incorporated into detailed simulations of the CubeSat mission set to verify desired performance over the mission lifetime. The model is also used to investigate the impact of potential adverse effects on the communication links such as interference and weather conditions. This paper also reviews potential improvements from future technological advances and commercial partnerships. A collaborative investigation between GSFC and Oklahoma State University is presented in which a qualitative analysis of Hybrid RF/Optical communication strategies is performed. The data rate improvements of optical communication techniques are weighed against attitude control and science mission requirements for CubeSats, and network architectures/switching strategies are discussed. A separate analysis reviews the potential benefits of ground station partnerships, which aligns with NASA’s future goal to include commercial partners in its Earth and space network architectures, e.g. LunaNet.

Space networks↗

Deductive Verification of Cryptographic Software

We report on the application of an off-the-shelf verification platform to the RC4 stream cipher cryptographic software implementation (as available in the openSSL library), and introduce a deductive verification technique based on self-composition for proving the absence of error propagation.

Almeida, Jose Barcelar↗

End-to-End Workflow for Machine-Learning-Based Qubit Readout With QICK and hls4ml

In this article, we present an end-to-end workflow for superconducting qubit readout that embeds codesigned neural networks into the quantum instrumentation control kit (QICK). Capitalizing on the custom firmware and software of the QICK platform, which is built on Xilinx radiofrequency system-on-chip field-programmable gate arrays (FPGAs), we aim to leverage machine learning (ML) to address critical challenges in qubit readout accuracy and scalability. The workflow utilizes the hls4ml package and employs quantization-aware training to translate ML models into hardware-efficient FPGA implementations via user-friendly Python application programming interfaces. We experimentally demonstrate the design, optimization, and integration of an ML algorithm for single transmon qubit readout, achieving 96% single-shot fidelity with a latency of 32.25 ns and less than 16% FPGA lookup table resource utilization. Our results offer the community an accessible workflow to advance ML-driven readout and adaptive control in quantum information processing applications.

42 ENGINEERING↗

Exascale workflow applications and middleware: An ExaWorks retrospective

Exascale computers offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discovery and insight. However, these software combinations and integrations are difficult to achieve due to the challenges of coordinating and deploying heterogeneous software components on diverse and massive platforms. Here, we present the ExaWorks project, which addresses many of these challenges. We developed a workflow Software Development Toolkit (SDK), a curated collection of workflow technologies that can be composed and interoperated through a common interface, engineered following current best practices, and specifically designed to work on HPC platforms. ExaWorks also developed PSI/J, a job management abstraction API, to simplify the construction of portable software components and applications that can be used over various HPC schedulers. The PSI/J API is a minimal interface for submitting and monitoring jobs and their execution state across multiple and commonly used HPC schedulers. We also describe several leading and innovative workflow examples of ExaWorks tools used on DOE leadership platforms. Furthermore, we discuss how our project is working with the workflow community, large computing facilities, and HPC platform vendors to address the requirements of workflows sustainably at the exascale.

97 MATHEMATICS AND COMPUTING↗

MBX V1.2: Accelerating Data-Driven Many-Body Molecular Dynamics Simulations

The MBX software provides an advanced platform for molecular dynamics simulations, leveraging state-of-the-art MB-pol and MB-nrg data-driven many-body potential energy functions. Developed over the past decade, these potential energy functions integrate physics-based and machine-learned many-body terms trained on electronic structure data calculated at the "gold standard" coupled-cluster level of theory. Recent advancements in MBX have focused on optimizing its performance, resulting in the release of MBX v1.2. While the inherently many-body nature of MB-pol and MB-nrg ensures high accuracy, it poses computational challenges. MBX v1.2 addresses these challenges with significant performance improvements, including enhanced parallelism that fully harnesses the power of modern multicore CPUs. In conclusion, these advancements enable simulations on nanosecond time scales for condensed-phase systems, significantly expanding the scope of high-accuracy, predictive simulations of complex molecular systems powered by data-driven many-body potential energy functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Logical error rates for the surface code under a mixed coherent and stochastic circuit-level noise model inspired by trapped ions

With fault-tolerant quantum computing (FTQC) on the horizon, it is critical to understand sources of logical errors in plausible hardware implementations of quantum error-correcting codes. Detailed error modeling of computational instructions on particular FTQC architectures will enable the better prediction of error propagation in FT-encoded quantum circuits while revealing where greater attention is needed in hardware design. In this work, we consider logical error rates for the surface code implemented on a hypothetical grid-based trapped-ion quantum charge-coupled device architecture. Specifically, we construct logical channels for the idling surface code and examine its diamond error under a mixed coherent and stochastic circuit-level noise model inspired by trapped ions. We include the coherent dephasing noise that is known to accumulate during physical qubit idling and transport in these systems, determining idling and transport durations using the time-resolved output of an open-source trapped-ion surface code compiler. To estimate expectation values of logical Pauli observables following hardware circuits containing non-Clifford sources of noise, we utilize a Monte Carlo technique to sample from an underlying quasiprobability distribution of Clifford circuits that we independently simulate in a phase-sensitive fashion. We verify error suppression up to code distance 𝑑 = 11 at coherent dephasing rates near and below those of current-generation trapped-ion quantum computers and find that logical error rates align with those of analogous fully stochastic simulations in this regime. Exploring higher dephasing rates at 𝑑 = 3−5, we find evidence for growing coherent rotations about all three logical Pauli axes, increased diagonal logical error process matrix elements relative to those of stochastic simulations, and a reduced dephasing rate threshold. Overall, our work paves a way toward realistic hardware emulation of small fault-tolerant quantum processes, e.g., members of an FTQC instruction set.

Quantum benchmarking↗

Multiscale and Machine Learning Modeling for Process-informed Microstructure Prediction in Additively Manufactured Materials Using MALAMUTE

Advanced Materials and Manufacturing Technologies (AMMT) program under the Department of Energy Office of Nuclear Energy, aims to develop and qualify additively-manufactured materials for nuclear applications. The key challenges to these efforts are the microstructural variabilities observed on the AM products and their impact on the properties and performance of the material in extreme environments. AMMT is using a combination of high-through-put experimental and modeling techniques to accelerate the qualification efforts. Conventionally, in-situ and ex-situ characterizations and testing are performed to correlate different aspects of the AM process to the final product and its performance. However, adopting a trial-and-error approach to experimentally evaluate the vast range of process parameters required to capture the microstructural variabilities is cost-prohibitive. Modeling and simulation provide a comparatively inexpensive way to understand and correlate the microstructural evolution to the processing conditions. The modeling and simulation work-packages within the AMMT program aims to use physics-based and machine learning modeling capabilities to develop a digital twin for AM that can correlate the process conditions to the final product and establish a process-structure-property-performance (PSPP) correlation for AM materials. The melting and subsequent solidification that occurs during the AM process is a complex phenomenon that requires multiscale multiphysics analysis. Idaho National Laboratory’s (INL) Multiphysics Object-Oriented Simulation Environment (MOOSE), specifically the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) software, provides an ideal platform for developing the multiphysics multiscale model to explore the intricacies of the microstructural evolution during the AM processes within a single framework. Furthermore, given that such full-fidelity simulations can be computationally intensive, reduced order models are necessary to explore the PSPP space for AM materials in an efficient, reliable, and cost-effective way. This work package focuses on understanding the role of process variabilities on the various microstructural characteristics of the AM materials. Microstructures unique to AM materials, such as compositional micro-heterogeneity and dislocation cells, are of particular interest here since they can influence the creep properties and radiation performance. In fiscal year (FY) 24, we significantly advanced upon our work in the last fiscal year, both on physics-based and ML models. The alloy solidification model available in MOOSE has been extended to incorporate the thermodynamic properties and free energy relevant to 316SS. The model demonstrates the Cr segregation that occurs during solidifcation. It is demonstrated that rate of solidification and solute segregation is primarily influence by the cooling rate dictating the level of freezing. This work captures the microstructural variabilities at the subgrain level that are often missing in the part-scale models. With an aim to connect the microstructural evolution model to realistic process conditions, a reduced order model is developed for predicting the thermal conditions around meltpool from high-fidelity process simulations. Furthermore, machine learning approach is used to accelerate the temperature prediction during the AM process. In the following years, MALAMUTE will be used to connect different aspects of the models and quantitatively predict the microstructural evolution. The developed ML-based surrogate model will consider the process conditions as the input to predict the microstructural features in a cost-effective way. The generated microstructures can be used by other work packages under AMMT to evaluate the properties and environmental response of the material at the mesoscale. Thus, this work help identify the key microstructural features at the subgrain level that are significant in property/performance prediction of the AM products. This work will provide inputs to the large-scale process variability models to reevaluate and validate assumptions/simplifications made in the part-scale models. Furthermore, through active learning this work will help identify the data need from both modeling and experimental sides for development of a robust digital twin for AM.

36 MATERIALS SCIENCE↗