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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

Optimizing Carbon Capture, Transport, and Storage: Overcoming Challenges with Machine Learning and Cost-Benefit Analysis

Carbon Capture, Utilization, and Storage (CCUS) is a critical strategy for reducing CO₂ emissions and mitigating climate change. However, its widespread deployment faces numerous challenges across the capture, transport, and storage phases. These challenges include the technical complexity of predicting subsurface behaviors during CO₂ injection, ensuring long-term storage integrity, optimizing transportation networks, and balancing the economic and environmental trade-offs. Addressing these issues requires an integrated approach combining advanced subsurface modeling with system-level analyses to assess costs, risks, and benefits. This presentation provides an overview of studies conducted by the National Energy Technology Laboratory (NETL) to tackle these challenges. NETL’s efforts encompass cutting-edge research in subsurface fluid behavior machine learning predictions, alongside the development of innovative tools for system optimization and economic evaluation. By bridging technical expertise and strategic analysis, NETL aims to advance the deployment of CCUS technologies to support global decarbonization efforts. Presented at the Carnegie Mellon University CEE IESS Student Seminar October 4, 2024.

Shih, Chung Yan↗
DOE OSTI2026

Multi-trait multi-environment genomic prediction strategies for Miscanthus sacchariflorus

Genomic selection holds the potential to serve as a strategic tool to enhance the genetic gain of complex traits in Miscanthus breeding programs. The development of improved cultivars requires their assessment for various traits across diverse environments to ensure suitable overall performance. Hence, the multi-trait multi-environment (MTME) genomic prediction (GP) models offer an opportunity to improve selection accuracy. This study aims to evaluate the potential of five GP models: (1) three MTME models including genotype-by-trait-by-environment interaction (G×E×T) and (2) two single-trait multi-environment (STME) models (with and without G×E interaction). A Miscanthus sacchariflorus population comprising 336 genotypes evaluated in three environments and scored for four traits (biomass yield YDY, total culm number TCM, average internode length AIL, and culm node number CNN) was analyzed. The predictive ability of the models was evaluated considering three cross-validation schemes resembling realistic scenarios (CV1: predicting new genotypes, CVP: predicting missing traits in a given environment, and CV2: predicting partially observed genotypes). On average, in all cross-validation schemes compared to the STME the predictive ability of the MTME models was 10% to 70% higher for TCM and AIL. On the other hand, for YDY and CNN, both STME models performed similarly or slightly better (between 5 to 64%) than the MTME models in most environments. While the MTME models were not successful for all traits when compared to their STME counterparts, MTME models improved the prediction of the performance of genotypes that were untested across environments or lacked trait information in a specific environment. Overall, our study suggests that MTME GP models can be implemented in Miscanthus breeding programs to improve the predictive ability of the complex traits, shorten breeding cycles, and accelerate selection decisions.

genomic prediction (GP)↗
DOE OSTI2025

FY24 Laboratory Directed Research and Development Annual Report

The Laboratory Directed Research and Development (LDRD) program yields foundational scientific research and development (R&D) essential to growing SRNL’s core competencies, in alignment with SRNL’s Strategic Plan to provide long-term benefits to the Department of Energy (DOE), the National Nuclear Security Administration (NNSA), and other customers and stakeholders. Five strategic goals are outlined in SRNL’s strategic plan: 1) Provide applied science and engineering for EM’s active clean-up sites and LM’s post closure management sites 2) Provide science-based solutions for gaps identified in nonproliferation strategic vision and support the government in activities impacting national security 3) Lead Science, Technology & Engineering as the central technical authority for processing tritium loaded reservoirs and support production of plutonium pits 4) Align science and energy security programs by focusing modern modeling, simulation, and data analytics tools on materials engineering and performance applications 5) Build a workforce for the future

Clark, Sue [Savannah River National Laboratory (SR↗
DOE OSTI2024

Advanced Perovskite Solar Cells and Modules

The “Advanced perovskite Cells and Modules” research project was the final agreement focused on enhancing perovskite solar cell (PSC) technologies funded by the US Department of Energy's Solar Energy Technologies Office. The project was designed to address three crucial areas in PSC development: stability, manufacturability, and efficiency. The project was then structured around three main tasks, each targeting one of these strategic goals. The team of experienced researchers in these materials worked collaboratively to address the targets outlined in the technical work plan. building on existing PSC research while also exploring promising new concepts arising in the field. An overview of each primary task is summarized below: Task 1 Stability: This first task, aims to identify material characteristics and metrics that can help predict the primary degradation mechanisms impacting PSC stability. This involved developing specific device tests based on hypotheses regarding mechanisms impacting stability, including fast failure procedures to speed up PSC development and improvement. Various strategies to enhance stability, like incorporating additives, post-treatments, novel contact materials etc. were developed using this fast feedback approach. The relationships between indoor and outdoor stresses were also validated. Task 2 Manufacturability: This second task, focused on creating a scalable production process for PSCs. Initially the objective is to establish a best-known method for a 182 cm2 minimodule. However, given resource limitations, these metrics were modified to focus on the other goal of outlined in the TWP. Specifically, this task worked to demonstrate the transferability of this best-known method to another research institution. Work scope in this area was expanded to material purity and understanding of reagent/process relationships. Examination of other difficulties in PSC production and potential solutions for large-scale production were also evaluated. Given challenges observed in process transfer, work to develop data infrastructure and recording tools for processing of material and devices was then also prioritized in this task. Task 3 Efficiency: This task was focused on improvements to PCE, while still considering Task 1 and Task 2 goal. The efforts targeted a PCE greater than 22% with a T95 exceeding 1000 hours at 25°C in a nitrogen environment for lab-scale devices (approximately 0.1 cm2 devices) across a range of solar-relevant perovskite compositions, including wide-gap (around 1.7 eV) and low-gap (around 1.3 eV) materials, using standard metal contacts. This work then provides a foundation for MHP-based tandem efforts undertaken in other projects and the All-MHP tandem efforts outlined in this projects TWP. Work in this project emphasized disseminating its findings through peer-reviewed publications (PRP), conference presentations, and industrial collaborations. Significant products were produced in all these areas, over 53 peer reviewed publications, 32 conference presentations and industrial investment based on NLR assistance on precompetitive challenges. The team also developed significant intellectual property and awards for their technical excellence, innovations and leadership. The team also leveraged traditional and social media platforms to engage with stakeholders and the public.

14 SOLAR ENERGY↗
DOE OSTI2021

Design, Manufacturing and Performance Considerations in Reactor System, Components and Materials

Idaho National Laboratory (INL) is the national and global leader of the Department of Energy (DOE) ’s nuclear energy research, development, and demonstration programs. Developing critical design criteria of new advanced reactor systems, components and materials requires an understanding of fabrication and the irradiation environment during normal operating and accident conditions. Next generation researchers and designers, are, therefore challenged not only by demands for ever improved performance but must also work to shorten the development and commercialization lifecycle for new nuclear reactors and systems to remain competitive. This provides unique and exciting opportunities for all contributors to this field of study. This presentation will offer a strategic overview of the competitively funded R&D awards by the Advanced Methods for Manufacturing (AMM) program of the DOE’s office of Nuclear Energy (NE). This program conducts research and development (R&D) to accelerate innovations by reducing the cost and schedule of constructing new nuclear plants and to make fabrication of nuclear power plant components faster, cheaper, and more reliable. By evaluating state-of-the-art practices found in other large manufacturing industries, the nuclear community has identified six major areas of innovation to reach the objectives of this DOE-NE program. Additionally, typical research case studies performed at INL, will be presented, showing the vast variety of opportunities for which, the next generation of researchers can seek solutions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Advanced Energy Topics for Hill District Community Leaders [Slides]

Through Communities LEAP, a community coalition focused on the Hill District neighborhood of Pittsburgh is working with a technical assistance provider network led by the National Renewable Energy Laboratory (NREL). The coalition includes community organizations, nonprofits, the city government, and the utility. Technical assistance provides analysis and information to support Hill District stakeholders in their goals to create informed residential energy efficiency and renewable energy transition strategies that improve housing conditions and lower energy bills, incorporate energy efficiency and renewable energy strategies into existing, community-driven development efforts, and generate quality local jobs. The Advanced Energy Topics resource is intended to support Hill District community leaders with strategic planning on energy-related topics. The topics included are intended to serve as a technical reference for community leaders to help inform decision-making around energy. The Advanced Energy Topics resource was informed by engagement through the Communities LEAP pilot program with three Hill District Registered Community Organizations: the Hill District Collaborative, the Hill District Consensus Group, and the Hill Community Development Corporation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

A Scoping Study to Determine the Location-Specific WEC Threshold Size for Wave-Powered AUV Recharging

The aim of this study is to determine the threshold wave energy converter (WEC) type and size to charge a fleet of U.S. Navy autonomous underwater vehicles (AUVs) in various geographic locations of interest. The U.S. Navy deploys AUVs in locations around the world that must be charged manually, decreasing their operational endurance and creating operational limitations. Ocean waves are a potential power source that can be converted into electricity using a WEC and stored using a battery. It would be beneficial to develop a WEC that could autonomously charge AUVs offshore. Numerous locations were analyzed to determine the minimum size of a WEC capable of providing sufficient charging power and offering a strategic advantage. By predicting the WEC efficiency (based on empirical equations) and wave resource (based on available data), electrical power generation across numerous WEC types and locations was compared in MATLAB. The generalized process developed here could be used to determine the required size and type of WECs to charge a fleet of AUVs in different locations around the world.

16 TIDAL AND WAVE POWER↗
DOE OSTI2021

Polypeptide organic radical batteries

In only a few decades, lithium-ion batteries have revolutionized technologies, enabling the proliferation of portable devices and electric vehicles, with substantial benefits for society. However, the rapid growth in technology has highlighted the ethical and environmental challenges of mining lithium, cobalt and other mineral ore resources, and the issues associated with the safe usage and non-hazardous disposal of batteries. Only a small fraction of lithium-ion batteries are recycled, further exacerbating global material supply of strategic elements. A potential alternative is to use organic-based redox-active materials to develop rechargeable batteries that originate from ethically sourced, sustainable materials and enable on-demand deconstruction and reconstruction. Making such batteries is challenging because the active materials must be stable during operation but degradable at end of life. Further, the degradation products should be either environmentally benign or recyclable for reconstruction into a new battery. Here we demonstrate a metal-free, polypeptide-based battery, in which viologens and nitroxide radicals are incorporated as redox-active groups along polypeptide backbones to function as anode and cathode materials, respectively. These redox-active polypeptides perform as active materials that are stable during battery operation and subsequently degrade on demand in acidic conditions to generate amino acids, other building blocks and degradation products. Here, such a polypeptide-based battery is a first step to addressing the need for alternative chemistries for green and sustainable batteries in a future circular economy.

25 ENERGY STORAGE↗
DOE OSTI2020

Performance enhancement and degradation mechanism identification of a single-atom Co–N–C catalyst for proton exchange membrane fuel cells

Development of platinum group metal (PGM)-free catalysts for oxygen reduction reaction (ORR) has been a strategic research topic for proton exchange membrane (PEM) fuel cells. Present state-of-art PGM-free ORR catalysts are Fe, N co-doped carbon (Fe-N-C) catalysts, which unfortunately exhibit instability concerns. Herein, we report a stable atomically dispersed Co, N co-doped carbon (Co-N-C) catalyst with high Co content of 1.0 at% and the active site, i.e., the coordination of Co, is CoN2+2 in nature. The Co-N-C catalyst demonstrated high ORR activity comparable to, and high stability over 3 times better than, that of the Fe-N-C catalyst. It also achieved a high activity of 22 mA cm2 at 0.9 ViR-free and a power density of 0.61 W cm-2 under 1.0 bar H2/O2. Further, we identify two main degradation mechanisms of the PGM-free catalysts: catalyst oxidation by H2O2/radicals and demetalation. The improved stability of Co-N-C relative to Fe-N-C is attributed to less Fenton-reactive nature of Co and significantly enhanced resistance to demetalation of Co-N-C.

Xie, Xiaohong↗
DOE OSTI2025

Process Optimization and Modeling for Minerals Sustainability (PrOMMiS) v1.0.0

The U.S. Department of Energy's ("DOE") Process Optimization and Modeling for Minerals Sustainability project ("PrOMMiS Project") was initiated in 2023 to transform the national Critical Minerals and Rare Earth Elements (CM & REE) landscape, thereby supporting DOE's three enduring strategic objectives: security, economic competitiveness, and environmental responsibility. To address this initiative, the PrOMMiS Project will develop, demonstrate, and deploy an open-source, advanced system modeling, optimization, and analysis application ("PrOMMiS Software Application") that will support industry decision-makers by accelerating the scale-up of novel CM & REE technologies by de-risking the development and deployment of commercial scale processes and maximizing learning throughout the development cycle.

Beattie, KeithS [Lawrence Berkeley National Labora↗
DOE OSTI2025

OLCF’s Advanced Computing Ecosystem (ACE): FY25 Update for Ongoing Efforts

The advent of widespread use of artificial intelligence (AI) and machine learning (ML) models in science, coupled with fast data production rates of scientific instruments strain the traditional batch-oriented high-performance computing (HPC) environment. As scientific exploration continues to require more data and faster processing and analysis, new emerging technologies and capabilities to enable cross-facility and time-sensitive workflows are required for seamless integration of HPC and experimental facilities. The Advanced Computing Ecosystem (ACE) is a strategic initiative within the Oak Ridge Leadership Computing Facility (OLCF) established in 2024 to support the development of cutting-edge technologies to advance computational research and infrastructure at OLCF and across the Department of Energy (DOE). Several DOE initiatives are spearheading the evolution of the scientific landscape by blurring facility boundaries and connecting the user facilities to advance scientific capabilities and ensure energy dominance. The DOE Integrated Research Infrastructure (IRI) program is one example that is laying a foundation to support complex cross-facility workflows. The IRI program aims to integrate diverse computational resources, data infrastructures, and scientific instruments to facilitate collaboration and accelerate scientific discovery. The Interconnected Science Ecosystem (INTERSECT) initiative at Oak Ridge National Laboratory (ORNL) is another example that aims to revolutionize scientific research through AI-driven, interconnected autonomous laboratories and research facilities. Finally, the American Science Cloud (AmSC), recently announced in the “One Big Beautiful Bill”, aims to leverage prior infrastructure efforts of the IRI and automation and AI efforts of INTERSECT (and others) to build a federated, AI-augmented AmSC platform to unify the DOE’s computing, experimental, and data resources to catalyze scientific innovation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Risks to the DOW Mission From Global Advanced Energy Adoption

Advanced energy technologies have the potential to enhance energy security and resilience; however, they can introduce new vulnerabilities even as they mitigate existing ones. This dichotomy highlights that both action and inaction carry strategic risks in a contested and logistically complex operating environment. Regardless of U.S. civilian or military adoption of such technologies, key allies and adversaries are on adoption paths that will impact the U.S. military at the tactical, operational, and strategic level. The global adoption of advanced energy technologies presents the potential for both positive and negative consequences for U.S. Department of Defense (DOD) missions in the next 10-20 years. Three categories of risk drivers are presented in this analysis: infrastructure-related, adoption-related, and response-related. Each risk type can generate consequences for DOD, including power disruptions, suboptimal DOD mission performance and operational effectiveness, higher costs and shortages for both legacy and advanced energy technologies, and loss of U.S. influence and strategic deterrent value. Specific impacts could include tactical impacts, operational impacts, and strategic impacts. Mitigation strategies could include energy resource and technology planning, cybersecurity, supply chain resilience, workforce development, exercises and simulations, investments in commercialized technology, operational testing and pilot programs, research into emerging technologies, partnerships and working groups, common standards, budget planning, and repurposing infrastructure.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Sanford Underground Research Facility’s approach to school education, community activities, and public outreach

The Sanford Underground Research Facility (SURF) is the deepest underground science facility in the United States. SURF hosts world-leading experiments in neutrino, astroparticle and nuclear physics, as well as projects in biology, geology, and engineering, and is home to a major excavation project making space for Fermi National Accelerator Laboratory’s Long-Baseline Neutrino Facility (LBNF), which will power the Deep Underground Neutrino Experiment (DUNE). An emphasis on outreach and education is embedded in SURF’s mission statement: “to advance world-class science and inspire learning across generations.” To achieve this mission, SURF goes beyond established science communication methods, including operating an open-to-the-public visitor center, hosting multiple public outreach events per month, and an annual city-wide science festival. Furthermore, SURF is training K-12 science educators, developing school curriculum units, and providing classroom materials, based on science researched at the laboratory. The strategic approach, specific methods, and successful outcomes of these programs, which are based on SURF’s science, location, and community, may serve as examples for effective science education, public outreach, and community engagement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Gene editing to enhance biotic stress tolerance in sugarcane

Sugarcane (Saccharum spp.) contributes approximately 80% of global sugar production and 40% of biofuel while serving as a promising feedstock for bioproducts (Brant et al., 2025). However, productivity faces mounting challenges from biotic threats including fungal, viral and bacterial diseases (Rott, 2018). Traditional breeding approaches are severely constrained by sugarcane’s complex polyploid genome containing 10–12 copies of "hom(oe)ologous genes within an approximately 10 Gb genome (Healey et al., 2024), extending breeding cycles to 12–15 years. Genome editing has revolutionized crop improvement by enabling targeted modifications without necessarily introducing foreign DNA, potentially circumventing regulatory hurdles while accelerating variety development (Li et al., 2022a). For sugarcane, these technologies offer unprecedented opportunities to enhance biotic stress resilience while improving yield and quality. This article examines current progress and prospects for developing biotic stress-tolerant sugarcane through gene editing, emphasizing technical advances, promising gene targets, and strategic approaches for trait stacking.

CRISPR-Cas systems↗
DOE OSTI2020

Laboratory Directed Research and Development Program (FY 2019 Annual Summary of Completed Projects)

Oak Ridge National Laboratory (ORNL) is the US Department of Energy’s (DOE’s) largest multiprogram science, technology, and energy laboratory with distinctive capabilities in neutron science, computing, advanced materials, and nuclear science and technology. Using these capabilities, ORNL conducts basic and applied research and development (R&D) to support DOE’s overarching mission to “ensure America’s security and prosperity by addressing its energy, environmental and nuclear challenges through transformative science and technology solutions.” As a national resource, ORNL also applies its capabilities and skills to specific needs of other federal agencies and customers through the DOE Strategic Partnership Projects (SPP) program. Information about the laboratory and its programs is available at the ORNL website. The Laboratory Directed Research and Development (LDRD) program at ORNL operates under the authority of the DOE Order 413.2C, “Laboratory Directed Research and Development,” which establishes DOE’s requirements for the program while providing the laboratory director broad flexibility for program implementation. The LDRD program funds are obtained through a charge to all laboratory programs. ORNL reports on the program status to DOE each year.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Multi-state Catalysts Modulated by Mechanical Force (Final Report)

The development of more efficient catalytic processes and new approaches to control catalytic activity and selectivity are central to the realization of more selective, atom economic, and energy efficient routes to value added chemicals and polymers. The reactivity and selectivity of a transition metal catalyst is intimately related to the ligand-sphere geometry and, in many cases, the ideal ligand geometry for one step of a catalytic cycle is poorly matched to the ideal ligand geometry for another, resulting in sub-optimal efficiency. Macroscopic mechanical forces are both large, potentially much larger than interatomic forces, and are directional and localized to an extent that differentiates them from other forms of energy input such as heat or light. As such, mechanical force represents a heretofore untapped approach to modulate catalyst geometry, with the potential to reversibly modulate catalyst geometry on the timescale of catalytic turnover or monomer enchainment. This project has addressed the fundamental challenges in material-to-molecule strain coupling associated with the development of a new class of mechanically responsive catalysts (mechanocatalysts) in which active organotransition metal catalysts are strategically embedded in a flexible polymer network such that application of external mechanical force (stretching or deformation) leads to modulation of catalyst geometry, and hence reactivity and selectivity. Our efforts during the tenure of this grant were directed toward the elucidation of force-reactivity relationships of elementary transformations that occur within the first coordination sphere of a transition metal complex employing stiff stilbene photoswitches tethered to a flexible bidentate phosphine ligand derived from MeOBiphep as molecular force probes which provide a range of compressive and extension forces to the coupled transition metal complex depending on the geometry of the stiff stilbene and length of the tethering chains. During the tenure of this grant, we have quantified the rate of C(sp 2 )-C(sp 2 ) reductive elimination from platinum(II) diaryl complexes containing bis(phosphine) force probe ligands as a function of mechanical force; compressive forces decreased the rate of reductive elimination whereas extension forces increased the rate relative to the strain-free MeOBiphep complex with a 3.4-fold change in rate over a ~290 pN range of restoring forces. In a similar manner, we have quantified the rate of oxidative addition of bromobenzene to low-ligated palladium(0) complexes containing force probe ligands as a function of mechanical force; compressive forces increase the rate of oxidative addition, whereas tensile forces decrease the rate with a ~6 fold change in rate across ~340 pN of force applied to the complexes. In both cases, experimental and computational analyses argue strongly against any significant force-induced perturbation of ground state geometry within the first coordination sphere of the reactant complexes. Rather, the force/rate behavior observed for these transformations across these ranges of forces is attributed to the coupling of force to the nuclear motion comprising the reaction coordinates for reductive elimination and oxidative addition. These results together inform the development of catalysts whose activity can be tuned by an external force that is adjusted within a catalytic cycle and suggest opportunities to experimentally map geometry changes associated with reactions in transition metal complexes and potential strategies for force-modulated catalysis.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Laboratory Directed Research and Development Program: FY 2023 Completed Projects Report

Oak Ridge National Laboratory (ORNL) is the US Department of Energy’s (DOE’s) largest multiprogram science, technology, and energy laboratory. It possesses distinctive capabilities in a variety of fields, such as neutron science, computing, advanced materials, and nuclear science and technology. Using these capabilities, ORNL conducts basic and applied research and development (R&D) to support DOE’s overarching mission “to ensure America’s security and prosperity by addressing its energy, environmental and nuclear challenges through transformative science and technology solutions.” As a national resource, ORNL also applies its capabilities and skills to the specific needs of other federal agencies and customers through the DOE Strategic Partnership Projects (SPP) Program. Information about the laboratory and its programs is available on the ORNL website. The Laboratory Directed Research and Development (LDRD) Program at ORNL operates under the authority of the DOE Order 413.2C, Laboratory Directed Research and Development, which establishes DOE’s requirements for the program while providing the laboratory director broad flexibility for program implementation. The LDRD Program funds are obtained through a charge to all laboratory programs. Although it represents a relatively small portion of the overall research budget, the LDRD Program plays an essential role in maintaining the laboratory’s ability to respond to national needs. The program allows ORNL to improve its distinctive capabilities and to enhance its ability to conduct cutting-edge R&D. This report provides an overview of the LDRD Program at ORNL in FY 2023 and contains summaries of all the LDRD research projects that concluded between October 1, 2022, and September 30, 2023.

99 GENERAL AND MISCELLANEOUS↗