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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Digital Twin for Chemical Science: a case study on water interactions on the Ag(111) surface

Directly visualizing chemical trajectories offers insights into catalysis, gas-phase reactions and photoinduced dynamics. Tracking the transformation of chemical species is best achieved by coupling theory and experiment. Here we developed Digital Twin for Chemical Science (DTCS) v.01, which integrates theory, experiment and their bidirectional feedback loops into a unified platform for chemical characterization. DTCS addresses a core question: given a set of experimental conditions, what is the expected outcome and why? It consists of a forward solver that takes a chemical reaction network and predicts spectra under experimental conditions, and an inverse solver that infers kinetics from measured spectra. We applied DTCS to ambient-pressure X-ray photoelectron spectroscopy measurements of the Ag–H2O interface as an example. This approach enables real-time knowledge extraction and guides experiments until a stopping condition is met based on accuracy and degeneracy. As a step toward autonomous chemical characterization, DTCS provides mechanistic knowledge in a verified, standardized manner.

Chemistry↗
DOE OSTI2023

A novel integrated time-resolved array avalanche photodiode detection system for nuclear resonant scattering measurements

Here, the nuclear resonant scattering (NRS) experiment requires photon-counting detectors with high time resolution, short dead time, large dynamic range, low noise, and large detection area. An 8-channel avalanche photodiode (APD) array detector system with high integrity, flexibility, and reliability has been developed to adapt to the demands of NRS experiments. The detector system mainly consists of four key parts: (i) an array-APD sensor, (ii) 8-channel integrated fast preamplifiers, (iii) the time-to-digital converter readout electronics, and (iv) a data acquisition system and EPICS support software. Remarkably, the system exhibits a time resolution of better than 500 ps and has a sufficiently low noise level, allowing for the lowest detection energy threshold of 4 keV. The performance of the new array-APD system as well as its real application in nuclear forward scattering (NFS) and nuclear resonant inelastic x-ray scattering (NRIXS) experiments was tested in two synchrotron facilities. With the new system, the NFS signal very close to the prompt electronic scattering signal can be extracted. Thanks to the customized EPICS-areaDetector-based control software, NRIXS spectra can be readily measured with time and energy information of the NRIXS signal stored in the raw data, which is promising for developing NRIXS data analysis in the time domain. The array-APD detector can be deployed for nuclear resonant scattering experiments at various synchrotron radiation facilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Roadmap on data-centric materials science

Science is and always has been based on data, but the terms ‘data-centric’ and the ‘4th paradigm’ of materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of artificial intelligence and its subset machine learning, has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Cyber Protection of Grid-Connected Devices Through Embedded Online Security

Cybersecurity research regarding the electric power grid has primarily been focused on protecting the communication layer of grid-connected devices against cyber-attack threats. Although many developed methods have greatly reduced the effects of a cyber-attack on the vulnerabilities of grid-connected devices, discovering new vulnerabilities is inevitable and a constant threat. As a result, the overall reliability and security of network communications with regard to grid-connected devices is a concern. Here, this paper proposes a method that further secures a system by focusing on the control and hardware layer of grid-connected devices. The device’s controller firmware will be validated and authenticated using integrated device emulation resources prior to being activated to control the grid-connected device. This verification process is performed while the controller is online and actively controlling power flows related to the device. Therefore, an attack to the system through a malicious firmware patch would be detected by the online security and rejected while safely maintaining continuous and stable control of the device. This method integrates the concepts of firmware hot-patching, digital twins, and active monitoring into an overall cybersecurity protection system.

cybersecurity↗
DOE OSTI2021

Multifidelity computing for coupling full and reduced order models

Hybrid physics-machine learning models are increasingly being used in simulations of transport processes. Many complex multiphysics systems relevant to scientific and engineering applications include multiple spatiotemporal scales and comprise a multifidelity problem sharing an interface between various formulations or heterogeneous computational entities. To this end, we present a robust hybrid analysis and modeling approach combining a physics-based full order model (FOM) and a data-driven reduced order model (ROM) to form the building blocks of an integrated approach among mixed fidelity descriptions toward predictive digital twin technologies. At the interface, we introduce a long short-term memory network to bridge these high and low-fidelity models in various forms of interfacial error correction or prolongation. The proposed interface learning approaches are tested as a new way to address ROM-FOM coupling problems solving nonlinear advection-diffusion flow situations with a bifidelity setup that captures the essence of a broad class of transport processes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Preliminary Feasibility of Printing, Microstructure Analysis and Mechanical Performance of a Down Selected Ni Alloy

This report is submitted as completion of a Milestone 3 deliverable under work package ORNL CT-23OR1304051 in support of the Advanced Materials and Manufacturing Technologies (AMMT) program. The AMMT program is aiming at the faster incorporation of new materials and manufacturing technologies into complex nuclear-related systems. An integrated approach, combining advanced characterization, high-throughput and accelerated testing, modeling and simulation including machine learning and artificial intelligence will be employed. While 316H (Fe-16-18Cr-10-14Ni-2-3Mo-0.04-0.1C) has been identified as a key alloy to be integrated into the AMMT accelerated alloy qualification approach due its relevance for many current and future nuclear energy reactors, many other alloys could be considered for the advanced fabrication of innovate high-performance nuclear components. ANL, INL, ORNL and PNNL are collaborating on identifying the most promising alloy candidates relevant for the AMMT program. A selection criteria matrix was established to evaluate the alloys considering their relative importance and technological readiness levels for nuclear energy applications, with a focus on laser powder bed fusion (LPBF). Due to the broad range of potential candidate alloys, ORNL and INL focused on Ni-based alloys, while ANL and PNNL mainly evaluated Fe-based alloys. PNNL previously published materials scorecards reports on several key alloys and this report is providing a broader overview of Ni-based candidate alloys, expending beyond alloys well-known to the nuclear community. Of particular interest are alloys that are currently commercially available in powder form due to the growing demand from other industries that have invested heavily in additive manufacturing. Among these alloys, Haynes 282 (Fe-20Cr-20Co-8Mo) was selected due to its superior strength at high temperature compared to the code-qualified alloy 617 (Ni-20-24Cr-10-15Co-8-10Mo). To assess the integration of this new alloy into the AMMT digital manufacturing framework, we performed the rapid optimization of alloy 282 printing parameters on a Renishaw 250 machine, the fabrication of sufficient materials for extensive characterization and mechanical testing both at ORNL and INL, and added the printing data into the digital platform via the Peregrine software. A detailed analysis of the LPBF 718 alloy was also conducted, with creep specimens being tested at 600-650°C and characterized by advanced electron microscopy. The alloy superior mechanical strength and great printability associated with the extensive database that has already been generated highlight the promising potential of LPBF 718 as a candidate alloy for the AMMT program. INL, ANL and PNNL have generated similar reports and all the information will be compiled into a final M2 milestone report to provide the AMMT leadership team with clear recommendations on the down selection of reactor materials, as well as establish a roadmap for the qualification of these selected alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Threat Hunt Guide for BESS Environments

The rapid digitalization of the electric grid - driven by the integration of inverter-based resources (IBRs), battery energy storage systems (BESS), and advanced grid control platforms - has significantly enhanced grid efficiency, visibility, and flexibility. However, this evolution also introduces new cybersecurity risks, particularly through supply chain dependencies and operational blind spots at the grid edge. To address these challenges, Idaho National Laboratory (INL), through the Department of Energy (DOE) Office of Cybersecurity, Energy Security, and Emergency Response (CESER) Rapid Risk initiative, conducted a series of rapid risk assessment engagements with energy organizations across the United States. Drawing on lessons learned from these engagements, INL developed the following threat hunting guide for asset owners and operators (AOOs) to enhance their cybersecurity visibility within BESS and IBR systems. The guide demonstrates how to use passive network monitoring to baseline device behavior, detect adversarial activity, and investigate anomalies without disrupting operations. By implementing these practices, energy sector stakeholders can improve coordination between cybersecurity and operations teams and strengthen the resilience of distributed energy resources (DERs) within the modern power grid. Prior to implementing any network monitoring, packet capture, or threat hunting activity described in this guide, AOOs are strongly advised to review applicable governance frameworks, legal requirements, and organizational policies. This guide is intended for informational and educational purposes only. It does not replace compliance with any federal, state, or local cybersecurity mandates or industry standards. Implementation of described configurations, technologies, or analytic workflows is performed at the discretion and responsibility of the asset owner and operator.

25 - ENERGY STORAGE↗
DOE OSTI2021

The FEWSION for Community Resilience (F4R) Process: Building Local Technical and Social Capacity for Critical Supply Chain Resilience

Local business leaders, policy makers, elected officials, city planners, emergency managers, and private citizens are responsible for, and deeply affected by, the performance of critical supply chains and related infrastructures. At the center of critical supply chains is the food-energy-water nexus (FEW); a nexus that is key to a community’s wellbeing, resilience, and sustainability. In the 21st century, managing a local FEW nexus requires accurate data describing the function and structure of a community’s supply chains. However, data is not enough; we need data-informed conversation and technical and social capacity building among local stakeholders to utilize the data effectively. There are some resources available at the mesoscale and for food, energy, or water, but many communities lack the data and tools needed to understand connections and bridge the gaps between these scales and systems. As a result, we currently lack the capacity to manage these systems in small and medium sized communities where the vast majority of people, decisions, and problems reside. This study develops and validates a participatory citizen science process for FEW nexus capacity building and data-driven problem solving in small communities at the grassroots level. The FEWSION for Community Resilience (F4R) process applies a Public Participation in Scientific Research (PPSR) framework to map supply chain data for a community’s FEW nexus, to identify the social network that manages the nexus, and then to generate a data-informed conversation among stakeholders. F4R was piloted and co-developed with participants over a 2-year study, using a design-based research process to make evidence-based adjustments as needed. Results show that the F4R model was successful at improving volunteers’ awareness about nexus and supply chain issues, at creating a network of connections and communication with stakeholders across state, regional, and local organizations, and in facilitating data-informed discussion about improvements to the system. In this paper we describe the design and implementation of F4R and discuss four recommendations for the successful application of the F4R model in other communities: 1) embed opportunities for co-created PPSR, 2) build social capital, 3) integrate active learning strategies with user-friendly digital tools, and 4) adopt existing materials and structure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A Reduced-Order Model of a Nuclear Power Plant with Thermal Power Dispatch

This paper presents reduced-order modeling of thermal power dispatch (TPD) from a pressurized water reactor (PWR) for providing heat to nearby heat consuming industrial processes that seek to take advantage of nuclear heat to reduce carbon emissions. The reactor model includes the neutronics of the reactor core, thermal–hydraulics of the primary coolant cycle, and a three-lump model of the steam generator (SG). The secondary coolant cycle is represented with quasi-steady state mass and energy balance equations. The secondary cycle consists of a steam extraction system, high-pressure and low-pressure turbines, moisture separator and reheater, high-pressure and low-pressure feedwater heaters, deaerator, feedwater and condensate pumps, and a condenser. The steam produced by the SG is distributed between the turbines and the extraction steam line (XSL) that delivers steam to nearby industrial processes, such as production of clean hydrogen. The reduced-order simulator is verified by comparing predictions with results from separate validated steady-state and transient full-scope PWR simulators for TPD levels between 0% and 70% of the rated reactor power. All simulators indicate that the flow rate of steam in the main steam line and turbine systems decrease with increasing TPD, which causes a reduction in PWR electric power generation. The results are analyzed to assess the impact of TPD on system efficiency and feedwater flow control. Due to the simplicity of the proposed reduced-order model, it can be scaled to represent a PWR of any size with a few parametric changes. In the future, the proposed reduced-order model will be integrated into a power system model in a digital real-time simulator (DRTS) and physical hardware-in-the-loop simulations.

08 HYDROGEN↗
DOE OSTI2022

Towards Net Zero: Modeling Approach to the Right-Sized Facilities

As the concentration of greenhouse gases (GHGs) in the atmosphere increases, the concerns about carbon emissions are growing. Several net-zero initiatives are taking place around the globe to achieve a balance between the GHGs put into the atmosphere and those taken out. While most efforts present a sectorized approach, this paper describes the importance of integrating information across different sectors for effective modeling of carbon emissions and holistic reduction opportunity analysis. Using the Idaho National Laboratory (INL) campus as a test case, this work provides a web-based tool for INL stakeholders to use when engaging in strategic planning to achieve carbon emissions reduction. This net-zero engineering support tool (NEST) uses historical data as foundational information for applying the modeling framework. Prediction of CO 2 emissions throughout project completion integrates various approaches and schedules aimed at energy conservation, fleet decarbonization, and other GHG reduction activities. Using NEST, stakeholders can visualize carbon emissions, electricity consumption, and costs for decision making when planning the pathway for reaching carbon net zero. The INL’s initiative to transition into an EV fleet was used to demonstrate the developed framework and the advantages of using NEST. It was shown that electrifying different fossil-fueled campus vehicles before 2030 with aggressive replacement schedules require high annual capital expenditure (CAPEX), which may not be available. The tool allows decision makers to test different replacement schedules and prioritize those that yield CAPEX below a certain threshold while meeting target milestones. While the demonstration focused on vehicle electrification, the developed framework lays the foundation for further quantitative analysis of other GHG reduction activities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Integration of Dynamical System Scaling to RAVEN and Facility Application

As part of the design optimization and model validation effort within the hybrid energy systems program, the research to implement dynamical system scaling (DSS) code to RAVEN is funded under the Integrated Energy System program in collaboration with the Digital Reactor Technology & Development department. The DSS data processing algorithm has been coded within the RAVEN framework along with other metrics and postprocessing models. The implemented code was tested using a gravity-driven draining tank draining case modeled in RELAP5-3D and generated data was successfully postprocessed based on the scaling analyses defined by DSS. Postprocessed data concluded less agreement for the tank exit velocity and indicated that the modeled input deck for RELAP5-3D requires modification to enforce minimal pressure differential effects to the draining process.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Transforming the study of organisms: Phenomic data models and knowledge bases

The rapidly decreasing cost of gene sequencing has resulted in a deluge of genomic data from across the tree of life; however, outside a few model organism databases, genomic data are limited in their scientific impact because they are not accompanied by computable phenomic data. The majority of phenomic data are contained in countless small, heterogeneous phenotypic data sets that are very difficult or impossible to integrate at scale because of variable formats, lack of digitization, and linguistic problems. One powerful solution is to represent phenotypic data using data models with precise, computable semantics, but adoption of semantic standards for representing phenotypic data has been slow, especially in biodiversity and ecology. Some phenotypic and trait data are available in a semantic language from knowledge bases, but these are often not interoperable. In this review, we will compare and contrast existing ontology and data models, focusing on nonhuman phenotypes and traits. We discuss barriers to integration of phenotypic data and make recommendations for developing an operationally useful, semantically interoperable phenotypic data ecosystem.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Digitizing and Enhancing Accessibility of the Fusion Safety Archives

This project focuses on the digitization and public accessibility to the Fusion Safety Archives at the Idaho National Laboratory. The first phase involves a thorough review of each document in the physical archives to determine its online availability. For documents that are available online, PDF copies and unique identifiers are collected for database integration. Documents not available online are delivered to Red Inc. for digitization. Additionally, defunct storage devices such as diskettes are sent to INL’s archival department for data retrieval where possible. The second phase of the project involves the creation of a comprehensive database to house the digital copies of the archives. The database will facilitate easy access and management of the digitized documents. Following the database creation, we plan to train a Retrieval-Augmented Generation (RAG) based AI on publicly available documents. The trained AI will be integrated into a front-facing application, allowing the public to easily access information from the Fusion Safety Archives. This project aims to preserve valuable historical data, improve accessibility, and promote transparency in fusion safety research.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Data Centers and Digital Assurance Workshop 2 – Prioritizing Digital Assurance Challenges, Session 2

The second session of the TADA (Technical Assistance for Digital Assurance) Data Centers Cohort, held on November 10, 2025, focused on prioritizing digital assurance challenges at the intersection of data centers and the electric grid. Building on the foundational concepts introduced in Workshop 1, this session deepened the application of the Threat–Vulnerability–Consequence (TVC) framework and emphasized the urgency of addressing cybersecurity, supply chain integrity, and operational reliability. Participants explored the growing convergence of digital and physical systems, the expanding attack surface due to global supply chain dependencies, and the implications of AI-driven load behavior. Real-world incidents—including the Volt Typhoon campaign and vulnerabilities in Solarman and Deye platforms—were analyzed to illustrate the risks of unpatched systems, insecure APIs, and inadequate vendor oversight. Key themes included architecture and interface weaknesses, governance gaps, and human and procedural shortcomings. The workshop also examined the evolving regulatory landscape, highlighting new federal mandates around Foreign Entity of Concern (FEOC) compliance and large-load reliability standards. Through interactive exercises, stakeholders ranked and mapped digital assurance risks from their respective perspectives—utilities, operators, and vendors—laying the groundwork for mitigation strategies and shared accountability models to be developed in Workshop 3. Session 2 of 3.

24 - POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Risk-informed Graded Approach for Reliability and Performance Assessment of Sensor and Instrumentation Systems within Advanced Condition Monitoring Technologies

Advanced condition monitoring (ACM) technologies, such as digital twins, are innovative strategies designed to provide real-time health insights, including the remaining useful life of components. The primary goal of ACM is to predict and alert operators to potential functional failures before they occur. ACM systems achieve this by integrating predictive models with various sensor instrumentation, analog-to-digital converters, data warehouses, and data pre-processors. These sensor and instrumentation systems (SIS) are essential for forming a comprehensive understanding of component conditions and ensuring the predictive success of ACM programs. Introducing new technologies like ACM involves varying degrees of risk that can impact plant reliability. Therefore, risk mitigation should be commensurate with the performance and reliability of the developed technology, following a risk-informed graded approach (RIGA). Establishing a RIGA process requires a clear understanding of the hazards and reliability of all subsystems, including their interdependencies and potential impacts on the overall system. Given the critical role of SIS in ACM, this work reviews hazard identification and reliability quantification methods for SIS. It also considers these methods' implications when developing a RIGA process for ACM.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

A Digital Twin for an Inverter-Based Resource Power Plant: Real-time data streaming unlocks situation awareness

Here, this study presents the development and successful implementation of a digital twin specifically designed for a grid-connected IBR power plant. By integrating a reduced-order model of the IBR system and dynamically updating the grid impedance with real-time data, the digital twin effectively captures and replicates the behavior of the physical system. Its accuracy and reliability are validated through critical test scenarios, including a three-phase fault and a line-tripping event. The results confirm that the digital twin closely emulates its physical counterpart, demonstrating its strong potential for real-time analysis, system monitoring, and predictive decision making in modern power systems.

Digital twins↗
DOE OSTI2026

Real-time plasma monitoring framework for advanced plasma control and ML-research in DIII-D

Real-time and adaptive plasma control is crucial for robust tokamak operation, requiring sensitivity and tolerance measurements of the plasma state. This paper presents the implementation of an integrated real-time plasma monitoring framework on the DIII-D tokamak to support advanced control approaches, including machine-learning (ML) methods. The system is built on the SHIELD framework, a high-performance modular architecture that provides a unified pipeline for integrating diverse diagnostics. The framework leverages high-bandwidth digitizers, fast numerical processing, and deterministic, low-latency interconnects to stream high-fidelity data from diagnostics such as electron cyclotron emission (ECE), beam emission spectroscopy (BES), CO interferometers, and a visible tangential divertor camera (TangTV). The system’s validity is demonstrated through direct comparisons of real-time and offline data. Furthermore, we present two key applications of the developed plasma monitoring system with ML-based plasma control strategies, including real-time divertor detachment and active Alfvén Eigenmode control. As a result, this work presents a robust and scalable approach for integrating high-frequency, multidimensional diagnostics into advanced control algorithms for future fusion devices.

AI/ML↗