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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The United States' (DOE) Action Plan for Power Sector Decarbonization

A collaborative report from the Clean Energy Ministerial (CEM) on Lessons Learned for Rapid Decarbonization of Power Sectors was delivered to energy ministers and presented at the 13th CEM (CEM13) in the United States in September 2022. In light of these lessons learned and discussed at CEM13, several jurisdictions signaled intent to develop Action Plans for power sector decarbonization. The first cohort of Action Plans was released at CEM14 in India in July 2023. The U.S. Department of Energy (DOE) is pleased to release this Action Plan as a contribution to the second cohort of Action Plans released at CEM15 in Brazil in October 2024. The Action Plans, supported by the 21st Century Power Partnership, and other CEM workstreams via direct technical assistance and capacity building, are intended to focus on select implementation actions, given each country's existing power sector goals and activities, and are an opportunity for countries to display leadership in power sector decarbonization. The Action Plans are organized in a framework for Planning, Building and Operating, as well as Stakeholder Engagement where appropriate based on country priorities. These Action Plans are voluntary, developed by each country individually, not comprehensive of all activities within the jurisdiction, and are living documents that are subject to change. This Action Plan, developed by DOE, is focused on federal actions for power sector decarbonization primarily led by DOE. There are many other actions being led by other U.S. government agencies, or at the state and local level, that are not featured in this Action Plan.

21st Century Power Partnership↗
DOE OSTI2025

Photo-Induced Hydrogen Production from Formic Acid Using a Palladium Catalyst

Liquid organic hydrogen carriers (LOHCs) are recognized as promising sustainable hydrogen (H 2 ) carriers due to their high volumetric capacity and ability to store H 2 at ambient conditions, eliminating the need for energy-intensive liquefaction or compression processes associated with H 2 or ammonia gas. One of the main current drawbacks, however, is LOHCs’ high energy demand for H 2 release. This work presents the photo-induced liberation of H 2 from formic acid (FA) as a liquid H 2 carrier, using visible light and well-established 5 wt% palladium nanoparticles supported over carbon (Pd/C). We show that low-power light-emitting diodes (LEDs) produced higher gas flow than their thermal baseline (35 °C), with 27.2 mL/min and 7.72 mL/min, respectively. Further, the rate of gas evolved with light intensity, catalyst loading, and the concentration of FA. Light-induced dehydrogenation shows similar deactivation as the known thermal mechanisms, such as the decreased Pd 2+ /Pd 0 ratio and Pd nanoparticle agglomeration. Hence, these observations suggest a photothermal mechanism, whereby the LED provides heat efficiently absorbed by the Pd/C catalyst and enhanced by Pd’s ability to absorb light, thereby driving the FA dehydrogenation reaction at ambient conditions.

08 HYDROGEN↗
DOE OSTI2025

Material Needs and Measurement Challenges for Advanced Semiconductor Packaging: Understanding the Soft Side of Science

This Perspective builds upon insights from the National Institute of Standards and Technology (NIST)-organized workshop, “Materials and Metrology Needs for Advanced Semiconductor Packaging Strategies,” held at the 35th annual Electronics Packaging Symposium in Binghamton, NY, on September 5, 2024. It outlines critical challenges and opportunities related to polymer-based “soft” materials in advanced semiconductor packaging, with emphasis on polymer science, measurement science (metrology), and the strategic development of Research-Grade Test Materials (RGTMs). These efforts, led by the NIST CHIPS team, aim to advance the fundamental understanding of structure-property-processing relationships, promote standardized guidelines and innovative methods for material characterization, and accelerate the development, qualification, and adoption of next-generation packaging materials. The Perspective also distills key insights from the panel discussion with industry experts, emphasizing the need for close collaboration among materials scientists, process engineers, and metrology experts to enable a holistic strategy, further highlighting the importance of cross-sector partnerships among industry, academia, and government to address pressing challenges in packaging materials and processes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Value and Role of Pumped Storage Hydro under High Variable Renewables

A project team, led by GE Research, was tasked by the U.S Department of Energy (DOE) to study the value and role of pumped storage hydro (PSH) under high variable renewables. The study was majority funded by DOE’s Office of Energy Efficiency and Renewable Energy (EERE) through a program managed by EERE’s Water Power Technologies Office. The project team for the study consists of three organizations – GE Research, GE Energy Consulting, and GE Renewables.

13 HYDRO ENERGY↗
DOE OSTI2024

Chapter 5: Major Biological Innovations in the History of Life on Earth

All organisms living on Earth descended from a single, common ancestral population of cells, known as LUCA—the last universal common ancestor. Since its emergence, the diversity and complexity of life have increased dramatically. Here this chapter focuses on four key biological innovations throughout Earth's history that had a significant impact on the expansion of phylogenetic diversity, organismal complexity, and ecospace habitation. First is the emergence of the last universal common ancestor, LUCA, which laid the foundation for all life-forms on Earth. Second is the evolution of oxygenic photosynthesis, which resulted in global geochemical and biological transformations. Third is the appearance of a new type of cell—the eukaryotic cell—which led to the origin of a new domain of life and the basis for complex multicellularity. Fourth is the multiple independent origins of multicellularity, resulting in the emergence of a new level of complex individuality. A discussion of these four key events will improve our understanding of the intertwined history of our planet and its inhabitants and better inform the extent to which we can expect life at different degrees of diversity and complexity elsewhere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Tip-Enhanced Raman Scattering on Both Sides of the Schrödinger Equation

We report historically, molecular spectroscopists have focused their attention to the right-hand side of the Schrödinger equation. Our major goal had and still has to do with determining a (bio)molecular system’s Hamiltonian operator. From a theoretical spectroscopist’s perspective, this entails varying the parameters of a model Hamiltonian until the predicted observables agree with their experimental analogues. In this context, less emphasis has been put on the left-hand side of the equation, where the interplay between a system and its immediate local environment is described. The latter is particularly meaningful and informative in modern applications of optical microscopy and spectroscopy that take advantage of surface plasmons to enhance molecular scattering cross-sections and to increase the attainable spatial resolution that is classically limited by diffraction. Indeed, the manipulation of light near the apex of a metallic nanotip has enabled single molecule detection, identification, and imaging. The distinct advantages of the so-called tip-enhanced optical nanospectroscopy/nanoimaging approaches are self-evident: ultrahigh spatial resolution (nanometer or better) and ultimate sensitivity (down to yoctomolar) are both attainable, all while retaining the ability to chemically fingerprint one molecule at a time (e.g., through Raman scattering). An equally interesting aspect of the same approach stems from using the properties of a single molecule to characterize the local environment in which it resides. This concept of single molecule spectroscopy on the left-hand side of the Schrödinger equation is certainly not novel and has been discussed in pioneering single molecule studies that ultimately led to a Nobel prize in chemistry. That said, local environment mapping through ultrasensitive optical spectroscopy acquires a unique flavor when executed using tip-enhanced Raman scattering (TERS). This is the subject of this Account.

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

Combining High-Throughput Experiments and Active Learning to Characterize Deep Eutectic Solvents

The high tunability of deep eutectic solvents (DESs) stems from the ease of changing their precursors and relative compositions. However, measuring the physicochemical properties across large composition and temperature ranges, necessary to properly design target-specific DESs, is tedious and error-prone and represents a bottleneck in the advancement and scalability of DES-based applications. As such, active learning (AL) methodologies based on Gaussian processes (GPs) were developed in this work to minimize the experimental effort necessary to characterize DESs. Owing to its importance for large-scale applications, the reduction of DES viscosity through the addition of a low-molecular-weight solvent was explored as a case study. A high-throughput experimental screening was initially performed on nine different ternary DESs. Then, GPs were successfully trained to predict DES viscosity from its composition and temperature, showcasing the ability of these stochastic, nonparametric models to accurately describe the physicochemical properties of complex mixtures. Finally, the ability of GPs to provide estimates of their own uncertainty was leveraged through an AL framework to minimize the number of data points necessary to obtain accurate viscosity modes. This led to a significant reduction in data requirements, with many systems requiring only five independent viscosity data points to be properly described.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Continuous liquid-phase synthesis of nickel phosphide nanoparticles in a helically coiled tube reactor

The continuous liquid phase synthesis of nickel phosphide (Ni 2 P) nanoparticles was studied in a helically coiled tube (HCT) reactor both in single-phase and two-phase slug flows. The reactants were nickel acetylacetonate and tri-n-octylphosphine (TOP) in a 1-octadecane solvent. For the single-phase mode, various parameters such as reaction temperature, residence time, TOP concentration, and P/Ni ratio were studied. It was found that lower temperatures of 320 and 340 °C resulted in the formation of mixed Ni 12 P 5 and Ni 2 P phases, while a higher temperature of 360 °C gave mostly Ni 2 P, with particle sizes increasing from 28 to 42 nm. Upon varying the contact time between 88 and 340 s at 360 °C, a likely sequence of reaction involved an amorphous phase that was transformed in parallel to Ni, Ni 12 P 5 , and Ni 2 P. When the flow in the HCT was changed to a two-phase slug flow by using N 2 to split the continuous liquid phase into small liquid columns, the product was nearly 100% Ni 2 P and the particle size was as small as 3–4 nm. This was attributed to the enhanced mass transfer in the small liquid columns of the slug flow that led to higher reaction rates. Finally, it is highlighted that the HCT operated in a slug flow is an efficient and continuous method for the fabrication of nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Steam-created grain boundaries for methane C–H activation in palladium catalysts

Defects may display high reactivity because the specific arrangement of atoms differs from crystalline surfaces. We demonstrate that high-temperature steam pretreatment of palladium catalysts provides a 12-fold increase in the mass-specific reaction rate for carbon-hydrogen (C–H) activation in methane oxidation compared with conventional pretreatments. Through a combination of experimental and theoretical methods, we demonstrate that an increase in the grain boundary density through crystal twinning is achieved during the steam pretreatment and oxidation and is responsible for the increased reactivity. The grain boundaries are highly stable during reaction and show specific rates at least two orders of magnitude higher than other sites on the palladium on alumina (Pd/Al 2 O 3 ) catalysts. Theoretical calculations show that strain introduced by the defective structure can enhance C–H bond activation. Introduction of grain boundaries through laser ablation led to further rate increases.

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

Advanced Energy Storage for Extreme Conditions (AESTEC) (Abbreviated Final Report)

This project developed a new capability for designing and fabricating energy storage devices that function in extreme conditions detrimental to conventional devices (e.g. temperature, mechanical stress, etc.). This new toolset tackled critical phenomenological challenges which led to materials and designs that enable high performance energy storage in conditions relevant to national security missions and the broader energy storage community.

25 ENERGY STORAGE↗
DOE OSTI2020

Unisexual flower initiation in the monoecious Quercus suber L.: a molecular approach

Abstract Several plant species display a temporal separation of the male and female flower organ development to enhance outbreeding; however, little is known regarding the genetic mechanisms controlling this temporal separation. Quercus suber is a monoecious oak tree with accentuated protandry: in late winter, unisexual male flowers emerge adjacent to the swollen buds, whereas unisexual female flowers emerge in the axils of newly formed leaves formed during spring (4–8 weeks after male flowering). Here, a phylogenetic profiling has led to the identification of cork oak homologs of key floral regulatory genes. The role of these cork oak homologs during flower development was identified with functional studies in Arabidopsis thaliana. The expression profile throughout the year of flower regulators (inducers and repressors), in leaves and buds, suggests that the development of male and female flowers may be preceded by separated induction events. Female flowers are most likely induced during the vegetative flush occurring in spring, whereas male flowers may be induced in early summer. Male flowers stay enclosed within the pre-dormant buds, but complete their development before the vegetative flush of the following year, displaying a long period of anthesis that spans the dormant period. Our results portray a genetic mechanism that may explain similar reproductive habits in other monoecious tree species.

Sobral, Rómulo↗
DOE OSTI2024

NREL Marine Energy Desalination Research and Development Portfolio: Preprint

The National Renewable Energy Laboratory (NREL), in collaboration with the U.S. Department of Energy's (DOE's) Water Power Technologies Office (WPTO), has developed a unique R&D approach to advance marine energy desalination. Desalination is a foundational investment within WPTO's Powering the Blue Economy portfolio, and was the first investment within this portfolio. NREL's marine energy desalination spans techno-economic feasibility studies, numerical modeling, and laboratory testing at the component and subsystem level, as well as development of the Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC). This multilayered approach enables an innovative feedback loop where the data and lessons learned from laboratory and field experiments are used to refine modeling tools and analysis techniques, prioritize out-year activities, and refine strategic directions within NREL and across the WPTO portfolio. The primary objective of the NREL-led research is to identify key barriers associated with the commercialization of wave-powered desalination and develop solutions that can be adopted by the marine energy industry. In parallel, these R&D activities can help inform technical assistance and support of industry and academic technologies. These two tracks help build a common solver community approach, while also identifying key stakeholders, government agencies, and other organizations outside of the marine sector that will be necessary for developing a robust industry. For the Spanish version of this report, see NREL/CP-5700-88483 (https://www.nrel.gov/docs/fy24osti/88483.pdf).

analysis↗
DOE OSTI2024

Cartera de Investigacion y Desarrollo Sobre Desalinizacion de Energia Marina del NREL: Preprint (Spanish Translation)

The National Renewable Energy Laboratory (NREL), in collaboration with the U.S. Department of Energy's (DOE's) Water Power Technologies Office (WPTO), has developed a unique R&D approach to advance marine energy desalination. Desalination is a foundational investment within WPTO's Powering the Blue EconomyTM portfolio [1], and was the first investment within this portfolio. NREL's marine energy desalination spans techno-economic feasibility studies, numerical modeling, and laboratory testing at the component and subsystem level, as well as development of the Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC). This multilayered approach enables an innovative feedback loop where the data and lessons learned from laboratory and field experiments are used to refine modeling tools and analysis techniques, prioritize out-year activities, and refine strategic directions within NREL and across the WPTO portfolio. The primary objective of the NREL-led research is to identify key barriers associated with the commercialization of wave-powered desalination and develop solutions that can be adopted by the marine energy industry. In parallel, these R&D activities can help inform technical assistance and support of industry and academic technologies. These two tracks help build a common solver community approach, while also identifying key stakeholders, government agencies, and other organizations outside of the marine sector that will be necessary for developing a robust industry. For the English version of this report, see NREL/CP-5700-86724 (https://www.nrel.gov/docs/fy24osti/86724.pdf).

analysis↗
DOE OSTI2022

CO-promoted low-temperature conversion of CH 4 to hydrogen and carbon nanotubes on Nanocrystalline Cr-doped ferrite catalyst

Catalytic decomposition of methane (CDM) to H 2 and multiwalled carbon nanotubes (MWCNTs) was achieved by a nanocrystalline Cr-doped ferrite (FeCr) catalyst at 500 °C and atmospheric pressure with minor cofed CO. The exothermic Boudouard reaction increased the temperature and H 2 from CDM at catalyst surface that induced Fe 2+ reduction to Fe 0 . The Fe 0 clusters along with the CO-originated surface oxygens enabled transfer of C and H to sustain the surface CDM and CO reactions. The metallic Fe-enabled C transfer led to the formation of MWCNTs. The Cr 6+/3+ dopants facilitated the Fe redox cycles and maintained surface oxygens for high catalytic activity.

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

Machine learned potential for high-throughput phonon calculations of metal—organic frameworks

Metal–organic frameworks (MOFs) are highly porous and versatile materials studied extensively for applications such as carbon capture and water harvesting. However, computing phonon-mediated properties in MOFs, like thermal expansion and mechanical stability, remains challenging due to the large number of atoms per unit cell, making traditional Density Functional Theory (DFT) methods impractical for high-throughput screening. Recent advances in machine learning potentials have led to foundation atomistic models, such as MACE-MP-0, that accurately predict equilibrium structures but struggle with phonon properties of MOFs. In this work, we developed a workflow for computing phonons in MOFs within the quasi-harmonic approximation with a fine-tuned MACE model, MACE-MP-MOF0. The model was trained on a curated dataset of 127 representative and diverse MOFs. The fine-tuned MACE-MP-MOF0 improves the accuracy of phonon density of states and corrects the imaginary phonon modes of MACE-MP-0, enabling high-throughput phonon calculations with state-of-the-art precision. The model successfully predicts thermal expansion and bulk moduli in agreement with DFT and experimental data for several well-known MOFs. These results highlight the potential of MACE-MP-MOF0 in guiding MOF design for applications in energy storage and thermoelectrics.

Elena, Alin Marin↗
DOE OSTI2026

Collaborative: Fundamental studies of how water influences the synthesis and behavior of zeolite catalysts for reactions in the circular carbon economy (Final Technical Report)

This project established a computational framework to predict and interpret how synthesis conditions control active site location in MFI zeolites and how those site distributions influence catalytic reactivity. The Hibbitts Group led the theoretical effort, applying periodic DFT calculations to quantify (i) SDA–framework–heteroatom interactions during crystallization and (ii) the energetics and mechanisms of arene methylation reactions within distinct MFI environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Sludge Removal: Success and Partnership with T Plant - 20510

U.S. DOE contractor CH2M Hill Plateau Remediation Company (CHPRC) has safely and efficiently managed the removal of highly radioactive sludge from the 105-K West Reactor fuel storage basin (105- KW Basin) near the Columbia River. In mid-September 2019, sludge retrieval was completed after 21 storage containers were safely loaded with highly radioactive sludge and transported approximately 13 miles from the 105-KW Basin to T Plant, located in the 200 West Area on the Central Plateau of the Hanford Site. Sludge removal represents the last major source term reduction necessary before the K West Reactor and fuel storage basin can transition to closure activities in preparation for final deactivation and demolition. The technical complexity of the sludge retrieval process, coupled with the challenging physical and radiological characteristics of the waste, necessitated a methodical and deliberate approach using unique design and operational solutions to safely conduct the work. This challenge was further complicated by the need to plan and conduct the work in two separate facilities, each subject to the controls and requirements of its own nuclear facility safety basis. The project overcame these challenges through creating an integrated team that actively engaged, communicated and coordinated each phase of the project to ensure successful completion. This paper will cover how these key elements of the Sludge Removal Project led to its success: - Integrating project planning and management; - Lessons learned from design and construction; - Preparing for a successful campaign (lessons learned from testing and start-up); - Lessons learned from operating in two separate facilities, transporting sludge containers on the Hanford Site and ensuring compliance with a range of regulatory and safety basis requirements. The establishment of an integrated group spanning two facilities and multiple organizations created a team capable of overcoming the challenges necessary to successfully plan and execute the sludge retrieval mission. Sharing lessons learned from this successful project can enhance the ability of teams across the DOE complex to successfully plan and execute complex projects. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Future of Water Infrastructure and Innovation Summit

Energy and water systems are interdependent, and the U.S. Department of Energy (DOE) has invested in energy and water for several years, including the Energy-Water Desalination Hub (led by the National Alliance for Water Innovation, NAWI), and research and development (R&D) in resource recovery from wastewater, among other areas. The Advanced Manufacturing Office (AMO) at the U.S. Department of Energy (DOE) held The Future of Water Infrastructure and Innovation Summit to inform the understanding of future opportunities in the water space. The virtual summit was held on October 27 and 28, 2020. The organizers gathered information from a diverse group of relevant water and wastewater stakeholders representing academia, industry, government, nongovernmental organizations, and local/regional utilities. Topics from Day 1 discussions included: desalination, water and wastewater treatment/recovery, produced water, industrial management of water, and hydropower, conveyance, and water systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗