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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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DOE OSTI2024

Towards Provable Security in Industrial Control Systems Via Dynamic Protocol Attestation

Industrial control systems (ICSs) increasingly rely on digital technologies vulnerable to cyber attacks. Cyber attackers can infiltrate ICSs and execute malicious actions. Individually, each action seems innocuous. But taken together, they cause the system to enter an unsafe state. These attacks have resulted in dramatic consequences such as physical damage, economic loss, and environmental catastrophes. This paper introduces a methodology that restricts actions using protocols. These protocols only allow safe actions to execute. Protocols are written in a domain specific language we have embedded in an interactive theorem prover (ITP). The ITP enables formal, machine-checked proofs to ensure protocols maintain safety properties. We use dynamic attestation to ensure ICSs conform to their protocol even if an adversary compromises a component. Since protocol conformance prevents unsafe actions, the previously mentioned cyber attacks become impossible. We demonstrate the effectiveness of our methodology using an example from the Fischertechnik Industry 4.0 platform. We measure dynamic attestation's impact on latency and throughput. Our approach is a starting point for studying how to combine formal methods and protocol design to thwart attacks intended to cripple ICSs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Advancing Development of Emissions Detection (Final Report)

This document is the final report to the U.S. Department of Energy (DOE for contract DE-FE0031873) awarded to Colorado State University (CSU). CSU and partners at Harrisburg University of Science and Technology, University of Texas Arlington, and University of Texas at Austin organized several testing rounds to provide knowledge focused on advancing the detection capabilities of emissions monitoring devices. With this funding opportunity the research group began by establishing the Advancing the Development of Emission Detection (ADED) program, with the goal focused on enhancing the accuracy, reliability, and field applicability of methane detection technologies. This effort aimed to address the critical challenges of identifying and quantifying methane emissions while enabling industry stakeholders to meet regulatory compliance and environmental sustainability goals. The program engaged with industry, government, and technology stakeholders to promote adoption and consensus on testing techniques for methane detection solutions. Methane, a potent greenhouse gas, contributes significantly to global warming, and the oil and natural gas (O&G) sector is a primary source of methane emissions. Regulatory measures such as leak detection and repair (LDAR) programs have been implemented to address emissions. However, traditional LDAR approaches, reliant on handheld and component-level measurements, are resource-intensive. To address these limitations and move with evolving regulations, advanced methane technologies are emerging. These solutions include ground-based sensors, mobile systems (e.g., drones, vehicles, and aircraft), and satellite-based platforms. They offer innovative capabilities for autonomous monitoring, larger spatial coverage, and emission quantification using methods such as tracer gas techniques and inverse modeling with Gaussian plume analysis. The ADED program began with creating protocols for methane controlled release (CR) testing these continuous monitoring (CM) and survey technologies that detect and monitor methane emissions at O&G facilities. The protocols were then implemented throughout testing of CM and survey devices at CSU’s Methane Emissions Technology Evaluation Center (METEC) facility from 2021 through 2024. As apart of the protocol, solutions that tested under the ADED program installed their solutions at METEC, documented their system under test, and provided detection reports to the METEC team for analysis. The METEC team would provide the solutions with analyzed reports of their emissions and ground truth data of the releases conducted during their testing session. Under the ADED program, CMs were also tested at O&G facilities for a six week test run of challenge release (ChR) releases. The findings from the ADED program underscore the critical role of collaborative research and innovation in tackling methane emissions, offering a pathway for the oil and gas sector to achieve significant environmental and economic benefits. Results from METEC testing saw improvement of performance and accuracy across all solutions over the extent of the ADED experiments. The results also showed a variance in CM solution performance between CRs and ChRs. That variance pushed the team to further analyze the differences between CR testing environments and field conditions. With the drive from regulations and that variance in field conditions, the ADED team began designing a new CR testing protocol and additions to the METEC testing facility. The METEC team is furthering the progress made through the ADED program with awarded funding from DE-FE0032276. This funding pushes the development of METEC’s addition with new equipment, allowing for an updated facility layout. METEC still facilitates for traditional facilities, with a legacy pad, while expanding an new design based on how O&G infrastructure has Final Report - Contract Number: DE-FE0031873 been changed over the last decade. Throughout the ADED program the team has also been working with international partners to ensure staying in the trend globally. International partners have been essential in moving the new protocol forward to implement into CR testing at the METEC facility in Spring 2025.

42 ENGINEERING↗
DOE OSTI2025

Voucher Opportunity 5-15: Independent Assessment of Monitoring, Reporting, and Verification (MRV) Technologies and Practices for Enhanced Rock Weathering (CRADA 718) Abstract

Development of robust, transparent, and precise monitoring, reporting, and verification (MRV) technologies and practices is critical for carbon dioxide removal (CDR) project developers to comply with regulatory and permitting requirements, voluntary carbon market (VCM) protocols, and to ensure safety while reducing environmental impacts. Enhanced rock weathering (ERW)-based CDR technologies focus on removing atmospheric carbon through conversion into thermodynamically stable solid or aqueous carbonate forms for permanent storage (i.e., mineralization). This highly durable form of CDR enhances naturally occurring silicate rock weathering cycles by optimizing application of finely-ground silicate rock particles (i.e., from basalt) on terrestrial agricultural lands to accelerate natural silicate rock weathering and mineralization. Enhanced rock weathering may also provide improved crop yields and enhance soil health. A critical aspect for commercialization of these technologies is the development of MRV to quantify the net removal and durable storage of atmospheric CO 2 . For ERW systems, it is essential to accurately characterize the mineral feedstock selected for application to establish the baseline geochemical composition, mineral dissolution rates, and carbon removal potential of the feedstocks to estimate overall net removal. Given the difficulty with conducting MRV for ERW in diverse soil/environment types, over large application areas, and due to complex chemical reaction networks, this project will accelerate understanding towards consensus on best practices for MRV. The overall objectives of the proposed voucher project are to: 1) Characterize and analyze feedstock(s) intended for ERW field application by Lithos Carbon (“Voucher Recipient”/ “CRADA Participant”) to determine overall mineralization potential; 2) Facilitate knowledge transfer and documentation of experimental protocols, instrumentation, and other relevant best practices; and 3) Support the Voucher Recipient’s broader technology commercialization and ERW Research Facility development plans. This work will align with the Voucher Recipient’s MRV plans for field sites and build upon complementary efforts conducted by PNNL on mineralization MRV.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Science of Scale-Up: Accelerating chemical manufacturing technology development workshop report

The Science of Scale-Up: Accelerating chemical manufacturing technology development workshop report outlines key insights and actionable recommendations for accelerating the scale-up of disruptive chemical manufacturing technologies. Convened in October 2024, the workshop brought together approximately fifty experts from academia, industry, national laboratories, and government agencies to address the barriers and solutions for maturing technologies from proof-of-concept to commercialization. The report identifies seven critical themes for enabling faster scale-up. These themes were explored through general discussions and breakout sessions focused on three specific chemical manufacturing technologies—electrochemical, thermochemical, and biological conversion processes. The findings emphasize the importance of interdisciplinary collaboration, robust funding mechanisms, and shared resources to overcome technical barriers and accelerate technology deployment. The report also highlights technology-specific challenges and opportunities, including the need for advanced materials, scalable manufacturing processes, and integrated testing environments. For electrochemical manufacturing processes, durability and material optimization are key priorities, while thermochemical processes require novel reactor designs and better supply chain integration. Biological conversion processes face hurdles in strain engineering, reactor design, and process integration. Across all technologies, the workshop emphasized the importance of leveraging computational tools, standardized protocols, and collaborative networks to address knowledge gaps and technical barriers. By acting on these insights, stakeholders can reduce the timeline for scaling up critical chemical manufacturing technologies, ensuring their timely impact on manufacturing competitiveness, and environmental sustainability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

RNAi and genome editing of sugarcane: Progress and prospects

SUMMARY Sugarcane, which provides 80% of global table sugar and 40% of biofuel, presents unique breeding challenges due to its highly polyploid, heterozygous, and frequently aneuploid genome. Significant progress has been made in developing genetic resources, including the recently completed reference genome of the sugarcane cultivar R570 and pan‐genomic resources from sorghum, a closely related diploid species. Biotechnological approaches including RNA interference (RNAi), overexpression of transgenes, and gene editing technologies offer promising avenues for accelerating sugarcane improvement. These methods have successfully targeted genes involved in important traits such as sucrose accumulation, lignin biosynthesis, biomass oil accumulation, and stress response. One of the main transformation methods—biolistic gene transfer or Agrobacterium ‐mediated transformation—coupled with efficient tissue culture protocols, is typically used for implementing these biotechnology approaches. Emerging technologies show promise for overcoming current limitations. The use of morphogenic genes can help address genotype constraints and improve transformation efficiency. Tissue culture‐free technologies, such as spray‐induced gene silencing, virus‐induced gene silencing, or virus‐induced gene editing, offer potential for accelerating functional genomics studies. Additionally, novel approaches including base and prime editing, orthogonal synthetic transcription factors, and synthetic directed evolution present opportunities for enhancing sugarcane traits. These advances collectively aim to improve sugarcane's efficiency as a crop for both sugar and biofuel production. This review aims to discuss the progress made in sugarcane methodologies, with a focus on RNAi and gene editing approaches, how RNAi can be used to inform functional gene targets, and future improvements and applications.

Brant, Eleanor [Agronomy Department, Plant Molecul↗
DOE OSTI2024

A Comprehensive Assessment of the Viability of Small Modular Reactors in Africa: A Nuclear Security and Nonproliferation Perspective

In response to escalating global energy demands driven by industrialization and the pressing need for decarbonization, this paper explores the potential of Small Modular Reactors (SMRs) as a sustainable energy solution in Africa. Focusing on nuclear security and non-proliferation concerns, the study assesses Africa's energy landscape, emphasizing the need for diverse and reliable power sources. While highlighting the scalability and cost-effectiveness of SMRs, the analysis acknowledges potential challenges associated with their introduction, particularly concerning nuclear security and non-proliferation. Given the recommendation to use High Assay Low Enriched Uranium (HALEU) in some SMRs, it is important to critically consider the security implications of transporting nuclear materials, the proximity of the public to the plant, and the time taken to respond to planned assaults. The possibility of using HALEU makes the nuclear material more prone to adversaries such as sabotage, theft, and terrorism. Utilizing PESTLE analysis, this research seeks to outline the detailed political, economic, social, technological, environmental, and legal readiness of Africa to embrace the first-of-a-kind technology (SMR) while fulfilling its mandate to the Non-Proliferation Treaty (NPT). Examining regulatory frameworks, international cooperation, and safety protocols, the study underscores the importance of regional collaboration to prevent the misuse of nuclear technology for military and malicious intent. Drawing insights from successful case studies, the paper concludes by synthesizing key findings and proposing recommendations for policymakers and stakeholders. These recommendations encompass regulatory enhancement, capacity building, technology transfer, and diplomatic efforts to strengthen nuclear security, non-proliferation, and safeguards in Africa.

Prah, Christina↗
DOE OSTI2024

IRI Technology Landscape – A survey of re-usable components and methodologies

This document describes technical implementation details on network access schemes connecting API-driven workflows to supercomputer centers. API-driven workflows are a central theme in connected computing, since they bring the terminal-mainframe' access pattern present since the 1970s up to the task of interfacing with modern web browser technologies. Both security (HTTPS/TLS/IPSec/VPNs/public key cryptography/digital signatures) and network protocol stacks (HTTP-REST APIs, tokens, gRPC, SRTP) have evolved to the point where implementing API-driven workflows is possible using stable, secure off-the-shelf software.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Optimization of electroporation method and promoter evaluation for type-1 methanotroph, Methylotuvimicrobium alcaliphilum

Methanotrophic bacteria are promising hosts for methane bioconversion to biochemicals or bioproducts. However, due to limitations associated with long genetic manipulation timelines and, lack of choice in genetic tools required for strain engineering, methanotrophs are currently not employed for bioconversion technologies. In this study, a rapid and reproducible electroporation protocol is developed for type 1 methanotroph, Methylotuvimicrobium alcaliphilum using common laboratory solutions, analyzing optimal electroshock voltages and post-shock cell recovery time. Successful reproducibility of the developed method was achieved when different replicative plasmids were assessed on lab adapted vs. wild-type M. alcaliphilum strains (DASS vs. DSM19304). Overall, a ∼ 3-fold decrease in time is reported with use of electroporation protocol developed here, compared to conjugation, which is the traditionally employed approach. Additionally, an inducible (3-methyl benzoate) and a constitutive (sucrose phosphate synthase) promoter is characterized for their strength in driving gene expression.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Precision Time Protocol Performance Testing Over Optical Transport Network

The US Department of Energy Office of Electricity has partnered with Oak Ridge National Laboratory (ORNL) to find alternative precision timing solutions for the nation’s power grid. This effort is in response to the vulnerabilities identified in the Global Navigation Satellite System (GNSS), of which the US Global Positioning System (GPS) platform is a part. Additionally, Executive Order 139055 has highlighted the need for alternative or backup timing solutions. ORNL has established a Timing Lab and has been testing various technologies and timing devices as part of this effort. Precision Time Protocol (PTP), and the off-the-shelf timing devices and network connections that support it, are among the alternatives being tested. This work reports the accuracy of PTP over an Optical Transport Network (OTN) and is part of a series published by the Center for Alternative Synchronization and Timing (CAST).

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Challenges, Technological Pathways and Trade-Offs of Perovskite Solar Modules for Long-Term Operation

Perovskite solar modules (PSMs) have emerged as a promising photovoltaic technology due to their high efficiency, low fabrication cost and compatibility with lightweight and flexible applications. However, ensuring long-term reliable performance under real-world conditions remains a critical barrier to commercialization. PSMs degrade through mechanisms that differ substantially from those affecting established technologies such as silicon, particularly under environmental stressors like ultraviolet light, oxygen, temperature cycling and reverse bias. Here we provide an analysis of the degradation pathways specific to perovskite modules and discuss why standard accelerated tests often fail to predict outdoor performance. We conceptualize challenges across material, device and module levels and evaluate strategies to mitigate ion migration, interfacial breakdown and encapsulation failure. By highlighting the need for realistic testing protocols and durable materials, we propose a framework highlighting key challenges, technological pathways and the trade-offs required to extend perovskite module lifetimes towards long-term operation, aiming to guide the development of PSMs capable of a 30-year operational lifetime.

14 SOLAR ENERGY↗
DOE OSTI2026

Designing the Protocols for Programmable Ammonia Catalysis

Programmable catalysis can provide a more energy-efficient and cost-effective route to enhancing commercial ammonia production, a key process in the advancement of renewable energy technologies and the manufacture of fertilizers and basic chemicals. This work explores the computational discovery of optimal forcing protocols to drive such dynamic catalysis models. By employing matrix-free time-stepper methods, coupled with an optimization approach, that integrates Bayesian optimization with a Bayesian continuation strategy to efficiently discover the periodic steady states of such periodically forced systems, we enable the discovery of complex optimal catalyst strain waveforms, while ensuring robust solver convergence. We demonstrate the flexibility of our approach to discover optimized forcing protocols under varying physical constraints on strain modulation or other catalyst operating parameters. We show that these can have a temporal structure more complex than simple step functions. In order to detect undesirable catalytic loops that may correlate with overall reduced performance, we perform a study using graph-theoretical analysis to investigate the dynamics of catalytic kinetic networks formed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Using Project Accounting to Report the Full Impact of Combined Heat and Power Projects

Well-applied combined heat and power (CHP) is the most efficient method of generating electricity and useful thermal energy, producing substantially less emissions per MWhe compared to other combustion-based power generation technologies. This report explains how to apply the Greenhouse Gas Protocol for Project Accounting (Project Protocol) to quantify and report reductions in emissions resulting from onsite CHP projects that reduces electricity generated on the grid. Use of the Project Protocol captures the full emissions reduction impact realized from CHP systems, including impacts outside the boundaries of the host facility.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Assessment of wafer scale MoS 2 atomic layers grown by metal–organic chemical vapor deposition using organo-metal, organo-sulfide, and H 2 S precursors

Transition Metal Dichalcogenides (TMDs) are a unique class of materials that exhibit attractive electrical and optical properties which have generated significant interest for applications in microelectronics, optoelectronics, energy storage, and sensing. Considering the potential of these materials to impact such applications, it is crucial to develop a reliable and scalable synthesis process that is compatible with modern industrial manufacturing methods. Metal–organic chemical vapor deposition (MOCVD) offers an ideal solution to produce TMDs, due to its compatibility with large-scale production, precise layer control, and high material purity. Optimization of MOCVD protocols is necessary for effective TMD synthesis and integration into mainstream technologies. Additionally, improvements in metrology are necessary to measure the quality of the fabricated samples more accurately. In this work, we study MOCVD of wafer-scale molybdenum disulfide (MoS 2 ) utilizing two common chalcogen precursors, H 2 S and DTBS. We then develop a metrology platform for wafer scale samples quality assessment. For this, the coalesced films were characterized using Raman spectroscopy, atomic force microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and Kelvin probe force microscopy. We then correlate the structural analysis of these grown films with electrical performance by using aerosol jet printing to fabricate van der Pauw test structures and assess sheet resistance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Cross-domain digital twin architecture for predictive maintenance via machine learning and Large Language Models

This research introduces a comprehensive framework for creating and deploying a digital twin platform for continuous monitoring and predictive maintenance within industrial settings. Through utilizing advanced technologies, including Unreal Engine 5, Unity 3D, the Message Queue Telemetry Transport protocol, Random Forest machine learning algorithms, and Large Language Models (LLMs), we establish a platform that digitally reproduces physical equipment and translates digital controls into real-world actions. This facilitates preventive maintenance approaches and improves operational effectiveness. The digital twin platform gathers sensor data from operational equipment, analyzes it using machine learning, and delivers practical insights to prevent potential malfunctions and enhance equipment performance. Furthermore, the incorporation of a web portal enables efficient monitoring and access to historical data, educational materials, and equipment status information. Preliminary findings indicate that digital twins can transform industrial equipment management and maintenance methodologies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Augmenting LLM-Based Agents for Improved Performance in Pentesting and Commissioning Operational Technology in Critical Infrastructure

Artificial intelligence (AI), and more specifically large language models (LLMs) have the potential for use in penetration testing (“pentesting”) against devices, networks, and computer systems in information technology (IT). We explore the possibility of extending pentesting from IT systems to operational technology (OT) systems, which are more obscure than IT systems in their protocols and design. A challenge therefore exists when applying pretrained LLMs to OT systems as corpora are likely to underrepresent OT systems in comparison to other more prevalent systems. We evaluate augmentations of LLMs with various methods, especially retrieval augmented generation (RAG), to improve performance of the LLMs in the OT domain. In addition to pentesting, some of the testing of these OT devices may include commissioning to ensure that the newly installed devices work correctly. Our framework may also be applied in such cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Assessment of Heavy-Duty Fueling Methods and Components-Modeling and Analysis

The goal of the Assessment of Heavy-Duty Fueling Methods and Components project was to comprehensively assess heavy-duty (HD) fuel cell electric vehicle fueling protocols and their effects on techno-economic assessments (TEA) and total cost of ownership (TCO). The project leveraged and built upon ongoing international HD fueling protocols and fueling component development activities to deliver component performance assessments, modeling tools and methods evaluations, TEA of industry-selected protocol structures, and experimental validations of the strategies at the station scale. The effects of the protocols on the fueling times, station costs, and TCO were explored. Fueling time, which was influenced by temperature and protocol selection, had a large impact on the station cost due to component sizing and satisfying hourly demand. As the fleet size increased, the station cost was shown to exponentially decrease by achieving economies of scale. Technology year and fuel economy were the largest contributors to the TCO; however, the choice of fueling protocol had a minor impact on the TCO.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

MasQiTT

SAND2025-03471O MasQiTT software is a proof-of-concept code that implements the Secure MQTT protocol. It demonstrates a publish/subscribe model of message passing within a network where the publishers can encrypt messages according to a topic and the subscribers can decrypt those messages. The example code shows an example of deployment of an end-to-end system that includes certificate authority and key management in addition to basic implementation of the protocol. 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.

Fisher, Andrew [Sandia National Lab. (SNL-CA), Liv↗
DOE OSTI2024

Characterizing non-Markovian and coherent errors in quantum simulation

Quantum simulation of many-body systems, particularly using ultracold atoms and trapped ions, presents a unique form of quantum control—it is a direct implementation of a multi-qubit gate generated by the Hamiltonian. As a consequence, it also faces a unique challenge in terms of benchmarking, because the well-established gate benchmarking techniques are unsuitable for this form of quantum control. Here we show that the symmetries of the target many-body Hamiltonian can be used not only to benchmark but to characterize experimental errors in the quantum simulation. We use our results to develop protocols to characterize these errors, which can be implemented using state-of-the-art technology. We consider two forms of errors: (i) unitary errors arising out of systematic errors in the applied Hamiltonian and (ii) canonical non-Markovian errors arising out of random shot-to-shot fluctuations in the applied Hamiltonian. We show that the dynamics of the expectation value of the target Hamiltonian itself, which is ideally constant in time, can be used to characterize these errors. In the presence of errors, the expectation value of the target Hamiltonian shows a characteristic thermalization dynamics, when it satisfies the operator thermalization hypothesis (OTH). That is, an oscillation in the short time followed by relaxation to a steady-state value in the long time limit. We show that while the steady-state value can be used to characterize the coherent errors, the amplitude of the oscillations can be used to estimate the non-Markovian errors. We prove a sandwich theorem to establish a linear relation between the amplitude of the oscillations and the magnitude of the non-Markovian errors. Moreover, by varying the initial state, we show that the steady state values can be used to completely construct the generator of the coherent errors. Using these results, we develop two experimental protocols to characterize the unitary errors based on these results, one of which requires single-qubit addressing and the other one doesn't. We also develop a protocol to characterize non-Markovian errors. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗