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All sources NASA NTRS DOE OSTI

DOE OSTI2026

Coarse-grained fixed-point tensor networks and holographic reflected entropy in 3D gravity

We use the framework of fixed-point BCFT tensor networks to present a microscopic CFT derivation of the correspondence between reflected entropy (RE) and entanglement wedge cross section (EW) in AdS 3 /CFT 2 , for both bipartite and multipartite settings. These fixed-point tensor networks, obtained by triangulating Euclidean CFT path integrals, allow us to explicitly construct the canonical purification via cutting-and-gluing CFT path integrals. Employing modular flow in the large-c limit, we demonstrate that these intrinsic CFT manipulations reproduce bulk geometric prescriptions, without assuming the AdS/CFT dictionary. The emergence of bulk geometry is traced to coarse-graining over heavy states in the large-c limit. Universal coarse-grained BCFT data for compact 2D CFTs, through the relation to Liouville theory with ZZ boundary conditions, yields hyperbolic geometry on the Cauchy slice. The corresponding averaged replica partition functions reproduce all candidate EWs, arising from different averaging patterns, with the dominant one providing the correct RE and EW. In this way, many heuristic tensor-network intuitions in toy models are made precise and established directly from intrinsic CFT data.

AdS-CFT correspondence↗

DOE OSTI2025

Dominant balance-based adaptive mesh refinement for incompressible fluid flows

This work introduces a novel adaptive mesh refinement (AMR) method that utilizes dominant balance analysis (DBA) for efficient and accurate grid adaptation in computational fluid dynamics (CFD) simulations. The proposed method leverages a Gaussian mixture model (GMM) to classify grid cells into active and passive regions based on the dominant physical interactions within the equation space. By modeling truncation error probabilistically from discretized terms, the method identifies regions of high interaction where numerical accuracy is most sensitive to resolution. Unlike traditional AMR strategies, this approach does not rely on heuristic-based sensors or user-defined thresholds, providing a fully automated and problem-independent framework for AMR. Applied to the incompressible Navier-Stokes equations for steady and unsteady flow past a cylinder, the DBA-based AMR method achieves comparable accuracy to high-resolution grids while reducing computational costs by up to 70 %. The validation highlights the method’s effectiveness in capturing complex flow features while minimizing grid cells, directing computational resources toward regions with the most critical dynamics. This modular and scalable strategy is adaptable to a wide range of applications, presenting a promising tool for efficient high-fidelity simulations in CFD and other multiphysics domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

A Design Document: Custom Analytical Tools and Automation for the Industrial Hygienist

This report outlines an approach for developing a modular and scalable web-based application suite, Internal Data Access and Visualization (I-DAV), that would be developed to meet the specific analytic requirements for Industrial Hygienist (IH) analysts and tank vapors Subject Matter Expert’s (SME) at the Hanford site. Through interviews and requirements elicitation with IH analyst, and on-site in depth review of workflow patterns and expected outcomes, PNNL has developed a framework for proposed collection of interdependent goal oriented software applications. Commercial off the shelf applications, which require only minimal custom code, were deployed this year as a mechanism of rapid prototyping and providing proof of concept. This report describes these efforts and accomplishments to date, as well as concepts for future applications and general enhancement of the DAV and core concepts for the I-DAV. Additional content was integrated into this report as of March 2019. Updated content was added to reflect the inclusion of I-DAV concepts and ideas, and refined versions of original concepts set forth as the work commenced and continued through the first half of FY19. New and refined concepts have been the product of ongoing weekly meetings, outreach, and elicitation with WRPS.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

A Design Document: Custom Analytical Tools and Automation for the Industrial Hygienist

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Multiscale Electrothermal Design of a Modular Multilevel Converter for Medium-Voltage Grid-Tied Applications

As a key feature of modular multilevel converters (MMCs), a large number of semiconductor devices are employed in the converter and distributed over a stack of submodules. Each submodule has a strict temperature limit that imposes constraints on the operating range of the converter. Different loading conditions/losses in the submodules lead to unavoidable temperature variations inside the MMC, which consequently affect the system-level performance and reliability. This paper is focused on the electrothermal analysis and design of a medium-voltage silicon carbide (SiC)-based MMC system, from submodule power semiconductors to the overall MMC system integration of multiple submodules, for grid-connected applications. Loss calculations are performed to estimate the cooling requirements and aid thermal design at different levels. The performance of a forced-air cooling approach is analyzed within a numerical modeling framework. Maximum temperature of the SiC power modules is predicted using numerical tools. Thermal design of the MMC cabinet with various arrangements of air inlet(s) and outlet(s) is investigated and compared from a cooling performance perspective. A fully resolved model of the arrangement that yields optimal results is developed to accurately predict the temperature profile of the essential components in the submodules.

computational fluid dynamics↗

NASA NTRS2012

Fault Tolerance Middleware for a Multi-Core System

Fault Tolerance Middleware (FTM) provides a framework to run on a dedicated core of a multi-core system and handles detection of single-event upsets (SEUs), and the responses to those SEUs, occurring in an application running on multiple cores of the processor. This software was written expressly for a multi-core system and can support different kinds of fault strategies, such as introspection, algorithm-based fault tolerance (ABFT), and triple modular redundancy (TMR). It focuses on providing fault tolerance for the application code, and represents the first step in a plan to eventually include fault tolerance in message passing and the FTM itself. In the multi-core system, the FTM resides on a single, dedicated core, separate from the cores used by the application. This is done in order to isolate the FTM from application faults and to allow it to swap out any application core for a substitute. The structure of the FTM consists of an interface to a fault tolerant strategy module, a responder module, a fault manager module, an error factory, and an error mapper that determines the severity of the error. In the present reference implementation, the only fault tolerant strategy implemented is introspection. The introspection code waits for an application node to send an error notification to it. It then uses the error factory to create an error object, and at this time, a severity level is assigned to the error. The introspection code uses its built-in knowledge base to generate a recommended response to the error. Responses might include ignoring the error, logging it, rolling back the application to a previously saved checkpoint, swapping in a new node to replace a bad one, or restarting the application. The original error and recommended response are passed to the top-level fault manager module, which invokes the response. The responder module also notifies the introspection module of the generated response. This provides additional information to the introspection module that it can use in generating its next response. For example, if the responder triggers an application rollback and errors are still occurring, the introspection module may decide to recommend an application restart.

Some, Raphael R.↗

NASA NTRS2014

Design and Evolution of a Modular Tensegrity Robot Platform

NASA Ames Research Center is developing a compliant modular tensegrity robotic platform for planetary exploration. In this paper we present the design and evolution of the platform's main hardware component, an untethered, robust tensegrity strut, with rich sensor feedback and cable actuation. Each strut is a complete robot, and multiple struts can be combined together to form a wide range of complex tensegrity robots. Our current goal for the tensegrity robotic platform is the development of SUPERball, a 6-strut icosahedron underactuated tensegrity robot aimed at dynamic locomotion for planetary exploration rovers and landers, but the aim is for the modular strut to enable a wide range of tensegrity morphologies. SUPERball is a second generation prototype, evolving from the tensegrity robot ReCTeR, which is also a modular, lightweight, highly compliant 6-strut tensegrity robot that was used to validate our physics based NASA Tensegrity Robot Toolkit (NTRT) simulator. Many hardware design parameters of the SUPERball were driven by locomotion results obtained in our validated simulator. These evolutionary explorations helped constrain motor torque and speed parameters, along with strut and string stress. As construction of the hardware has finalized, we have also used the same evolutionary framework to evolve controllers that respect the built hardware parameters.

Exploration↗

DOE OSTI2020

PtychoShelves , a versatile high-level framework for high-performance analysis of ptychographic data

Over the past decade, ptychography has been proven to be a robust tool for non-destructive high-resolution quantitative electron, X-ray and optical microscopy. It allows for quantitative reconstruction of the specimen's transmissivity, as well as recovery of the illuminating wavefront. Additionally, various algorithms have been developed to account for systematic errors and improved convergence. With fast ptychographic microscopes and more advanced algorithms, both the complexity of the reconstruction task and the data volume increase significantly. PtychoShelves is a software package which combines high-level modularity for easy and fast changes to the data-processing pipeline, and high-performance computing on CPUs and GPUs.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2004

Activity-Centric Approach to Distributed Programming

The first phase of an effort to develop a NASA version of the Cybele software system has been completed. To give meaning to even a highly abbreviated summary of the modifications to be embodied in the NASA version, it is necessary to present the following background information on Cybele: Cybele is a proprietary software infrastructure for use by programmers in developing agent-based application programs [complex application programs that contain autonomous, interacting components (agents)]. Cybele provides support for event handling from multiple sources, multithreading, concurrency control, migration, and load balancing. A Cybele agent follows a programming paradigm, called activity-centric programming, that enables an abstraction over system-level thread mechanisms. Activity centric programming relieves application programmers of the complex tasks of thread management, concurrency control, and event management. In order to provide such functionality, activity-centric programming demands support of other layers of software. This concludes the background information. In the first phase of the present development, a new architecture for Cybele was defined. In this architecture, Cybele follows a modular service-based approach to coupling of the programming and service layers of software architecture. In a service-based approach, the functionalities supported by activity-centric programming are apportioned, according to their characteristics, among several groups called services. A well-defined interface among all such services serves as a path that facilitates the maintenance and enhancement of such services without adverse effect on the whole software framework. The activity-centric application-program interface (API) is part of a kernel. The kernel API calls the services by use of their published interface. This approach makes it possible for any application code written exclusively under the API to be portable for any configuration of Cybele.

Levy, Renato↗

NASA NTRS2014

Extending the Capabilities of Closed-loop Distributed Engine Control Simulations Using LAN Communication

Distributed Engine Control (DEC) is an enabling technology that has the potential to advance the state-of-the-art in gas turbine engine control. To analyze the capabilities that DEC offers, a Hardware-In-the-Loop (HIL) test bed is being developed at NASA Glenn Research Center. This test bed will support a systems-level analysis of control capabilities in closed-loop engine simulations. The structure of the HIL emulates a virtual test cell by implementing the operator functions, control system, and engine on three separate computers. This implementation increases the flexibility and extensibility of the HIL. Here, a method is discussed for implementing these interfaces by connecting the three platforms over a dedicated Local Area Network (LAN). This approach is verified using the Commercial Modular Aero-Propulsion System Simulation 40k (C-MAPSS40k), which is typically implemented on one computer. There are marginal differences between the results from simulation of the typical and the three-computer implementation. Additional analysis of the LAN network, including characterization of network load, packet drop, and latency, is presented. The three-computer setup supports the incorporation of complex control models and proprietary engine models into the HIL framework.

propulsion simulation↗

DOE OSTI2025

The Artificial Intelligence Ontology: LLM-Assisted Construction of AI Concept Hierarchies

The Artificial Intelligence Ontology (AIO) is a systematization of artificial intelligence (AI) concepts, methodologies, and their interrelations. Developed via manual curation, with the additional assistance of large language models (LLMs), AIO aims to address the rapidly evolving landscape of AI by providing a comprehensive framework that encompasses both technical and ethical aspects of AI technologies. The primary audience for AIO includes AI researchers, developers, and educators seeking standardized terminology and concepts within the AI domain. We use the term “branches” for classes, and their subclasses, in our ontology that are subclasses of owl:Thing. AIO contains eight branches: Bias, Layer, Machine Learning Task, Mathematical Function, Model, Network, Preprocessing, and Training Strategy, each designed to support the modular composition of AI methods and facilitate a deeper understanding of deep learning architectures and ethical considerations in AI. AIO uses the Ontology Development Kit (ODK) for its creation and maintenance, with its content being more easily updated through AI-driven curation support. This approach not only ensures the ontology's relevance amidst the fast-paced advancements in AI but also significantly enhances its utility for researchers, developers, and educators by simplifying the integration of new AI concepts and methodologies. The ontology's utility is demonstrated through the annotation of AI methods data in a catalog of AI research publications and the integration into the BioPortal ontology resource, highlighting its potential for cross-disciplinary research. The AIO ontology is open source and is available on GitHub ( https://w3id.org/aio/ ) and BioPortal ( https://bioportal.bioontology.org/ontologies/AIO ).

Joachimiak, Marcin P. [Biosystems Data Science Dep↗

DOE OSTI2024

COSMIC DAWN: Distributed Analysis of Wireless at Nextscale

Distributed Analysis of Wireless at Nextscale (DAWN) is a novel simulation framework for large-scale design-space exploration (DSE) of unmodified software-defined radio (SDR) applications interacting in a scalable, high-fidelity, virtual physics environment. The software-defined nature of the coupled software-physics simulation leverages hardware emulation to permit in-depth examination and modification of not only the electromagnetic environment, including each signal in flight, but also the precise state of system software and components. DAWN supports modular, customizable physics environments allowing realistic propagation effects so that computationally efficient empirical models, reduced order/surrogate models, or large-scale, high-fidelity, site-specific simulations can be used as a propagation medium based on scenario requirements. This paper introduces DAWN’s design and initial implementation, detailing key architectural components, including the Physics Realization Engine (PhyRE), Runtime Infrastructure for Simulation Environments (RISE), and the design space exploration (DSE) suite. It concludes with demonstrations using unmodified 4G/LTE software available from srsRAN on computing resources ranging from a small cluster to ORNL’s Frontier Exascale system.

Wise, Mike [ORNL] (ORCID:0000000266120641)↗

NASA NTRS1993

On the design of fault-tolerant robotic manipulator systems

Robotic systems are finding increasing use in space applications. Many of these devices are going to be operational on board the Space Station Freedom. Fault tolerance has been deemed necessary because of the criticality of the tasks and the inaccessibility of the systems to maintenance and repair. Design for fault tolerance in manipulator systems is an area within robotics that is without precedence in the literature. In this paper, we will attempt to lay down the foundations for such a technology. Design for fault tolerance demands new and special approaches to design, often at considerable variance from established design practices. These design aspects, together with reliability evaluation and modeling tools, are presented. Mechanical architectures that employ protective redundancies at many levels and have a modular architecture are then studied in detail. Once a mechanical architecture for fault tolerance has been derived, the chronological stages of operational fault tolerance are investigated. Failure detection, isolation, and estimation methods are surveyed, and such methods for robot sensors and actuators are derived. Failure recovery methods are also presented for each of the protective layers of redundancy. Failure recovery tactics often span all of the layers of a control hierarchy. Thus, a unified framework for decision-making and control, which orchestrates both the nominal redundancy management tasks and the failure management tasks, has been derived. The well-developed field of fault-tolerant computers is studied next, and some design principles relevant to the design of fault-tolerant robot controllers are abstracted. Conclusions are drawn, and a road map for the design of fault-tolerant manipulator systems is laid out with recommendations for a 10 DOF arm with dual actuators at each joint.

Tesar, Delbert↗

DOE OSTI2021

Engineering Second Sphere Interactions in a Host–Guest Multicomponent Catalyst System for the Hydrogenation of Carbon Dioxide to Methanol

Many enzymes utilize interactions extending beyond the primary coordination sphere to enhance catalyst activity and/or selectivity. Such interactions could improve the efficacy of synthetic catalyst systems, but the supramolecular assemblies employed by biology to incorporate second sphere interactions are challenging to replicate in synthetic catalysts. Herein, a strategy is reported for efficiently manipulating outer sphere influence on catalyst reactivity by modulating host–guest interactions between a noncovalently encapsulated transitionmetal-based catalyst guest and a metal–organic framework (MOF) host. This composite consists of a ruthenium PNP pincer complex encapsulated in the MOF UiO-66 that is used in tandem with the zirconium oxide nodes of UiO-66 and a ruthenium PNN pincer complex to hydrogenate carbon dioxide to methanol. Due to the method used to incorporate the complexes in UiO-66, structure–activity relationships could be efficiently determined using a variety of functionalized UiO-66-X hosts. These investigations uncovered the beneficial effects of the ammonium functional group (i.e., UiO-66-NH 3 + ). Mechanistic experiments revealed that the ammonium functionality improved efficiency in the hydrogenation of carbon dioxide to formic acid, the first step in the cascade. Isotope effects and structure–activity relationships suggested that the primary role of the ammonium functionality is to serve as a general Brønsted acid. Importantly, the cooperative influence from the host was effective only with the functional group in close proximity to the encapsulated catalyst. Here, reactions carried out in the presence of molecular sieves to remove water highlighted the beneficial effects of the ammonium functional group in UiO-66-NH 3 + and resulted in a 4-fold increase in activity. As a result of the modular nature of the catalyst system, the highest reported turnover number (TON) (19 000) and turnover frequency (TOF) (9100 h –1 ) for the hydrogenation of carbon dioxide to methanol are obtained. Moreover, the reaction was readily recyclable, leading to a cumulative TON of 100 000 after 10 reaction cycles.

08 HYDROGEN↗

DOE OSTI2022

SimELIT: A Novel GUI-Based Comprehensive Ion Trajectory Simulation Software for Mass Spectrometry

Ion trajectory simulation in mass spectrometry systems from injection to detection is technically challenging but very important for better understanding the ion dynamics in instrument development. Here, in this work, we present SimELIT (Simulator of Eulerian and Lagrangian Ion Trajectories), a novel ion trajectory simulation platform. SimELIT is built upon a suite of multiphysics solvers compiled into OpenFOAM (an open-source numerical solver library particularly used for computational mechanics), with a simple web-based graphical user interface (GUI) allowing users to define the details of OpenFOAM cases and run simulations. SimELIT is a modular program and can provide extensions of physics (e.g., gas flows, electrodynamic fields) and thus enable ion trajectory simulations from the ion source to detector. The current version (SimELIT) provides two numerical solvers for ion trajectory simulations–(1) a Lagrangian particle tracker in vacuum and (2) a Eulerian ion density solver in background gas in the presence of electric fields. Here, we describe the architecture of SimELIT, including its use of Docker and the React Framework, and demonstrate the computation of ion trajectories of multiple m/z values in a static/linear voltage drop in vacuum (across a 1 m long flight tube). Further, the drift motion of ions under 1 Torr pressure conditions in a static background (N 2 ) gas through a 20 V/cm static electric field is shown. The results produced from SimELIT were compared with SIMION and theoretical estimates. In addition, we report the computation of ion trajectories in electrodynamic fields within a planar FAIMS device operating at atmospheric pressure.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Material Control & Accountancy for Molten Salt Reactors (FY2021 Report)

There is significant domestic and international interest, investment, and research and development momentum to pursue advanced nuclear reactor technologies. Molten salt reactor (MSR) concepts display the largest variability in fuel type and design features among the current advanced concepts. MSRs have been proposed with various core designs, sizes (power), and fuel cycles. Salt-fueled molten salt systems represent the only advanced reactor type with fuel that is not in a solid form during operation. These “liquid-fueled” MSRs are unique from perspectives of fuel fabrication, spent irradiated fuel and waste components, licensing, and material control and accountability (MC&A) including the potential of fissile material holdup. The liquid fuel salt is the defining distinction in comparison to other advanced reactors that propose TRI-structural ISOtropic particle fuel pebbles, various coolant options (e.g., molten salts or metals, high temperature gas), or small modular alternatives using solid fuel variants including both light water reactors and non-light water reactors. MSRs are appealing to the nuclear energy industry because of the diverse reactor characteristics they can support including various neutron energy spectra, fueling requirements, fuel cycles, and/or fuel utilization. However, because of the significant deviation and diversity of a salt-fueled system compared to traditional solid fuel light water-cooled reactors (LWRs), the history, regulatory licensing framework, modeling capabilities, and supporting engineering technology are either lacking or, in some cases, nonexistent. Therefore, the research community is actively supporting advanced MSR development on many of these fronts in particular to assist MSR vendors with licensing requirements. ORNL is leading the research and development of respective MC&A approaches for salt-fueled MSRs. This report summarizes the research performed at Oak Ridge National Laboratory (ORNL) under the US Department of Energy, Office of Nuclear Energy, Advanced Reactor Safeguards (ARS) program to investigate safeguards and security by design concepts, licensing and regulatory considerations, and dynamic system-level modeling to understand radioisotope concentrations for salt-fueled MSRs. The report builds upon the previous research and literature, identifies the MC&A challenges inherent to a salt-fueled MSR, reviews current regulatory frameworks for LWRs and their applicability towards salt-fueled MSRs, summarizes the status and progress of an MSR dynamic modeling tool, and discusses a prospective MC&A approach based on the Molten Salt Demonstration Reactor (MSDR) model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

dCache – Efficient Message Encoding For Inter-Service Communication in dCache: Evaluation of Existing Serialization Protocols as a Replacement for Java Object Serialization

As a well established, large-scale distributed storage system, dCache is used to manage and serve huge amounts of data collected by high energy physics, astrophysics and photon science experiments. Based on a microservices-like architecture, dCache is built as a modular distributed system, where each component provides a different core functionality. These services communicate by passing serialized messages to each other, a core behavior whose performance properties can consequently affect the entire system.This paper compares and evaluates different data serialization protocols in computer science with the objective of replacing and improving upon Java Object Serialization (JOS), which has increasingly presented itself as no longer being sufficiently performant for encoding messages. The criteria for choosing a new framework are collected, analyzed and formalized. The primary motivation for replacing Java serialization for encoding dCache messages is increasing the general speed of message-passing and thereby reducing the round-trip time for user requests. Emphasis is also placed on schema evolution capabilities and framework usability. Approaches for generalizing (de)serialization speed and size measurements based on data structure complexity are introduced, criteria for measuring documentation, learning curve, maintainability and introduction effort are defined. Finally, several selected serialization protocols are evaluated and compared accordingly, concluding with a recommendation for a suitable JOS replacement.

Morschel, Lea↗

DOE OSTI2020

Modernization of Technical Requirements for Licensing of Advanced Non-Light Water Reactors: Safety Classification and Performance Criteria for Structures, Systems, and Components

This report, “Modernization of Technical Requirements for Licensing of Advanced Non-Light Water Reactors: Safety Classification and Performance Criteria for Structures, Systems and Components,” represents a key element in the development of a framework for the efficient licensing of advanced non-Light Water Reactors (non-LWRs). It is the result of a Licensing Modernization Project (LMP) led by Southern Company and cost-shared by the United States Department of Energy (DOE).

42 ENGINEERING↗