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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 OSTI2018

Co-Optimization of Fuels & Engines: FY17 Year in Review

The U.S. Department of Energy (DOE) Co-Optima initiative is accelerating the introduction of efficient, clean, affordable, and scalable high-performance fuels and engines. This effort is simultaneously tackling fuel and engine research and development (R&D) to maximize light-, medium-, and heavy-duty vehicle fuel economy and performance, while mapping lower-cost pathways to reduce emissions, leveraging diverse domestic fuel resources, boosting U.S. economic productivity, and enhancing national energy security. Co-Optima brings together DOE’s Office of Energy Efficiency & Renewable Energy (EERE), nine national laboratories, 13 universities, and numerous industry and government stakeholders in a collaboration exploring solutions with potential for near-term improvements to the types of fuels and engines found in most vehicles currently on the road, as well as to the development of revolutionary new combustion technologies. This report is an overview of the research activities and accomplishments of the Co-Optima initiative during the 2017 Fiscal Year.

02 PETROLEUM↗
DOE OSTI2019

Co-Optimization of Fuels & Engines: FY18 Year in Review

The U.S. Department of Energy (DOE) Co-Optima initiative is accelerating the introduction of efficient, clean, affordable, and scalable high-performance fuels and engines. This first-of-its-kind effort is simultaneously tackling fuel and engine research and development (R&D) to maximize light-, medium-, and heavy-duty vehicle fuel economy and performance, while mapping lower-cost pathways to reduce emissions, leveraging diverse domestic fuel resources, boosting U.S. economic productivity, and enhancing national energy security. Co-Optima brings together DOE’s Office of Energy Efficiency & Renewable Energy (EERE), nine national laboratories, 13 universities, and numerous industry and government stakeholders in a collaboration exploring solutions with potential for near-term improvements to the types of fuels and engines found in most vehicles currently on the road, as well as potential for the development of revolutionary new engine technologies. An overview is provided of the research activities and accomplishments of the Co-Optima initiative during the 2018 Fiscal Year.

02 PETROLEUM↗
DOE OSTI2019

Co-Optimization of Fuels & Engines: FY18 Year in Review

The U.S. Department of Energy (DOE) Co-Optima initiative is accelerating the introduction of efficient, clean, affordable, and scalable high-performance fuels and engines. This first-of-its-kind effort is simultaneously tackling fuel and engine research and development (R&D) to maximize light, medium, and heavy-duty vehicle fuel economy and performance, while mapping lower-cost pathways to reduce emissions, leveraging diverse domestic fuel resources, boosting U.S. economic productivity, and enhancing national energy security. Co-Optima brings together DOE's Office of Energy Efficiency & Renewable Energy (EERE), nine national laboratories, 13 universities, and numerous industry and government stakeholders in a collaboration exploring solutions with potential for near-term improvements to the types of fuels and engines found in most vehicles currently on the road, as well as potential for the development of revolutionary new engine technologies.

09 BIOMASS FUELS↗
DOE OSTI2025

Transforming Energy Through Computational Excellence: A View From NREL

At the National Renewable Energy Laboratory (NREL)—a U.S. Department of Energy laboratory—computational science, high-performance computing, applied mathematics, advanced computer science, visualization, and data play a pivotal role in advancing energy abundance, affordability, security, and reliability. From fundamental scientifc discovery to systems engineering and analysis, NREL researchers tackle market-relevant challenges to develop solutions for an independent energy system that is reliable, resilient and secure. Collaborative partnerships with industry, government, and academia ensure that our research remains cutting edge, impactful, applicable, and aligned with real-world energy needs. This special issue of Computing in Science & Engineering highlights exemplary NREL projects where computational tools and methodologies drive discovery and accelerate innovation in scalable and integrated energy systems. The featured articles explore the role of computational modeling, high-performance computing, generative AI, and adaptive computing in advancing independent energy solutions, optimizing sustainability research, and enhancing decision-making for energy solutions using a broad mix of energy technologies. Here, these contributions demonstrate how NREL’s computational research bridges the gap between theoretical advancements and practical implementation, emphasizing interdisciplinary collaboration and a commitment to innovation, with a focus on translating computational excellence into real-world impact, thus accelerate progress toward national energy goals. By showcasing cutting-edge research at the intersection of computational science and energy systems, this issue aims to inspire and inform researchers, practitioners, and policymakers dedicated to shaping a more reliable energy future.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Mechanical characterization of Cu-Zn wire electrode base used in EDM and study of influence of the process of machining on its properties

This work is part of a Research National project (PNR) carried out by the group of research of the engineering and material sciences laboratory of the polytechnic national school at Algiers in collaboration with company BCR, which relates to “the characterization of the wire intended for the EDM of matrices metal. The goal of this work is to bring metallographic explanations on the wire electrode used by the machine ROBOFIL 290P, mechanically characterized this wire as of knowing of advantage about the process of its manufacturing (wiredrawing, .) The methods of studies used are it micro Vickers pyramid hardness, the tensile test, optical microscopy and scan electronic microscopy SEM.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Materials Science of Electrodes and Interfaces for High-Performance Organic Photovoltaics

The science of organic photovoltaic (OPV) cells has made dramatic advances over the past three years with power conversion efficiencies (PCEs) now reaching ~12%. The upper PCE limit of light-to-electrical power conversion for single-junction OPVs as predicted by theory is ~23%. With further basic research, the vision of such devices, composed of non-toxic, earth-abundant, readily easily processed materials replacing/supplementing current-generation inorganic solar cells may become a reality. Organic cells offer potentially low-cost, roll-to-roll manufacturable, and durable solar power for diverse in-door and out-door applications. Importantly, further gains in efficiency and durability, to that competitive with inorganic PVs, will require fundamental, understanding-based advances in transparent electrode and interfacial materials science and engineering. This team-science research effort brought together an experienced and highly collaborative interdisciplinary group with expertise in hard and soft matter materials chemistry, materials electronic structure theory, solar cell fabrication and characterization, microstructure characterization, and low temperature materials processing. We addressed in unconventional ways critical electrode-interfacial issues underlying OPV performance -- controlling band offsets between transparent electrodes and organic active-materials, addressing current loss/leakage phenomena at interfaces, and new techniques in cost-effective low temperature and large area cell fabrication. The research foci were: 1) Theory-guided design and synthesis of advanced crystalline and amorphous transparent conducting oxide (TCO) layers which test our basic understanding of TCO structure-transport property relationships, and have high conductivity, transparency, and tunable work functions but without (or minimizing) the dependence on indium. 2) Development of theory-based understanding of optimum configurations for the interfaces between oxide electrodes/interfacial layers and OPV active layer organic molecules/polymers. 3) Exploration and perfection of new processing strategies and cell architectures for the next-generation, large-area flexible OPVs. The goal has been to develop for the solar energy community the fundamental scientific understanding needed to design, fabricate, prototype, and ultimately test high-efficiency cells incorporating these new concepts. We achieved success in all of these directions.

14 SOLAR ENERGY↗
DOE OSTI2020

Better together: Elements of successful scientific software development in a distributed collaborative community

Many scientific disciplines rely on computational methods for data analysis, model generation, and prediction. Implementing these methods is often accomplished by researchers with domain expertise but without formal training in software engineering or computer science. This arrangement has led to underappreciation of sustainability and maintainability of scientific software tools developed in academic environments. Some software tools have avoided this fate, including the scientific library Rosetta. We use this software and its community as a case study to show how modern software development can be accomplished successfully, irrespective of subject area. Rosetta is one of the largest software suites for macromolecular modeling, with 3.1 million lines of code and many state-of-the-art applications. Since the mid 1990s, the software has been developed collaboratively by the RosettaCommons, a community of academics from over 60 institutions worldwide with diverse backgrounds including chemistry, biology, physiology, physics, engineering, mathematics, and computer science. Developing this software suite has provided us with more than two decades of experience in how to effectively develop advanced scientific software in a global community with hundreds of contributors. Here we illustrate the functioning of this development community by addressing technical aspects (like version control, testing, and maintenance), community-building strategies, diversity efforts, software dissemination, and user support. We demonstrate how modern computational research can thrive in a distributed collaborative community. The practices described here are independent of subject area and can be readily adopted by other software development communities

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Thermochemical Conversion of Woody Biomass to Fuels and Chemicals Final Report

Maine and its industries identified more efficient utilization of biomass as a critical economic development issue. In Phase I of this implementation project, a research team was assembled, research equipment was implemented and expertise was demonstrated in pyrolysis, hydrodeoxygenation of pyrolysis oils, catalyst synthesis and characterization, and reaction engineering. Phase II built upon the infrastructure to innovate reaction pathways and process engineering, and integrate new approaches for fuels and chemical production within pulp and paper and other industries within the state. This research cluster brought together chemists, engineers, physicists and students from the University of Maine, Bates College, and Bowdoin College. The project developed collaborations with Oak Ridge National Laboratory and Brookhaven National Laboratory. The specific research projects within this proposal were of critical interest to the DoE - in particular the biomass program within EERE and the catalysis/chemical transformations program within BES. Scientific and Technical Merit highlights of this project included: (1) synthesis and physical characterization of novel size-selective catalyst/supports using engineered mesoporous (1-10 nm diameter pores) materials, (2) advances in fundamental knowledge of novel support/ metal catalyst systems tailored for pyrolysis oil upgrading, (3) a microcalorimetric sensing technique, (4) improved methods for pyrolysis oil characterization, (5) production and characterization of woody biomass-derived pyrolysis oils, (6) development of two new patented bio oil pathways: thermal deoxygenation (TDO) and formate assisted pyrolysis (FASP), and (7) technoeconomics of pyrolysis of Maine forest biomass. This research cluster has provided fundamental knowledge to enable and assess pathways to thermally convert biomass to hydrocarbon fuels and chemicals.

09 BIOMASS FUELS↗
DOE OSTI2014

Curation and Computational Design of Bioenergy-Related Metabolic Pathways

Pathway Tools is a systems-biology software package written by SRI International (SRI) that produces Pathway/Genome Databases (PGDBs) for organisms with a sequenced genome. Pathway Tools also provides a wide range of capabilities for analyzing predicted metabolic networks and user-generated omics data. More than 5,000 academic, industrial, and government groups have licensed Pathway Tools. This user community includes researchers at all three DOE bioenergy centers, as well as academic and industrial metabolic engineering (ME) groups. An integral part of the Pathway Tools software is MetaCyc, a large, multiorganism database of metabolic pathways and enzymes that SRI and its academic collaborators manually curate. This project included two main goals: I. Enhance the MetaCyc content of bioenergy-related enzymes and pathways. II. Develop computational tools for engineering metabolic pathways that satisfy specified design goals, in particular for bioenergy-related pathways. In part I, SRI proposed to significantly expand the coverage of bioenergy-related metabolic information in MetaCyc, followed by the generation of organism-specific PGDBs for all energy-relevant organisms sequenced at the DOE Joint Genome Institute (JGI). Part I objectives included: 1: Expand the content of MetaCyc to include bioenergy-related enzymes and pathways. 2: Enhance the Pathway Tools software to enable display of complex polymer degradation processes. 3: Create new PGDBs for the energy-related organisms sequenced by JGI, update existing PGDBs with new MetaCyc content, and make these data available to JBEI via the BioCyc website. In part II, SRI proposed to develop an efficient computational tool for the engineering of metabolic pathways. Part II objectives included: 4: Develop computational tools for generating metabolic pathways that satisfy specified design goals, enabling users to specify parameters such as starting and ending compounds, and preferred or disallowed intermediate compounds. The pathways were to be generated using metabolic reactions from a reference database (DB). 5: Develop computational tools for ranking the pathways generated in objective (4) according to their optimality. The ranking criteria include stoichiometric yield, the number and cost of additional inputs and the cofactor compounds required by the pathway, pathway length, and pathway energetics. 6: Develop tools for visualizing generated pathways to facilitate the evaluation of a large space of generated pathways.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

An Industry/Academe Consortium for Achieving 20% wind by 2030 through Cutting-Edge Research and Workforce Training

In January 2010, the University of Minnesota, along with academic and industry project partners, began work on a four year project to establish new facilities and research in strategic areas of wind energy necessary to move the nation towards a goal of 20% wind energy by 2030. The project was funded by the U.S. Department of Energy with funds made available through the American Recovery and Reinvestment Act of 2009. $7.9M of funds were provided by DOE and $3.1M was provided through matching funds. The project was organized into three Project Areas. Project Area 1 focused on design and development of a utility scale wind energy research facility to support research and innovation. The project commissioned the Eolos Wind Research Field Station in November of 2011. The site, located 20 miles from St. Paul, MN operates a 2.5MW Clipper Liberty C-96 wind turbine, a 130-ft tall sensored meteorological tower and a robust sensor and data acquisition network. The site is operational and will continue to serve as a site for innovation in wind energy for the next 15 years. Project Areas 2 involved research on six distinct research projects critical to the 20% Wind Energy by 2030 goals. The research collaborations involved faculty from two universities, over nine industry partners and two national laboratories. Research outcomes include new knowledge, patents, journal articles, technology advancements, new computational models and establishment of new collaborative relationships between university and industry. Project Area 3 focused on developing educational opportunities in wind energy for engineering and science students. The primary outcome is establishment of a new graduate level course at the University of Minnesota called Wind Engineering Essentials. The seminar style course provides a comprehensive analysis of wind energy technology, economics, and operation. The course is highly successful and will continue to be offered at the University. The vision of U.S. DOE to establish unique, open-access research facilities and creation of university-industry research collaborations in wind energy were achieved through this project. The University of Minnesota, through the establishment of the Eolos Wind Energy Consortium and the Eolos Wind Research Field Station continue to develop new research collaborations with industry partners.

17 WIND ENERGY↗
DOE OSTI2021

Implementing Zero Energy Design with the U.S. Department of Energy Solar Decathlon

The U.S. Department of Energy Solar Decathlon® Design Challenge is a collegiate competition that challenges student teams to design high performance buildings that push the boundaries of the industry. In the 2020 competition, DOE is piloting Design Partners, a low-risk opportunity for builders and building owners to harness student innovation and explore zero energy design for current or upcoming projects. Design Partners provide a student team of architects and engineers with project requirements. By the end of the Challenge, Design Partners receive a zero energy alternative and cost estimate for their project. The collaboration allows Design Partners to incorporate innovative concepts such as grid-interactivity, resilience, and low embodied carbon in a low-risk environment and provides the future generation of engineers and architects with invaluable experience designing a building for a client under real-world circumstances. Attendees will leave understanding the “perfect storm” of policy, technology, health, and economic trends that make zero energy buildings desirable and feasible and the value of the U.S. DOE Solar Decathlon to industry. They will also get a sneak peek at innovative solutions 2020 Design Partner pilot projects are bringing to the building industry and how becoming a Design Partner in 2021 could benefit their organization.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2014

Samuel P. Massie Chair of Excellence Program

Abstract In 1994 the Department of Energy established the DOE Chair of Excellence Professorship in Environmental Disciplines Program. In 2004, the Massie Chair of Excellence Professor at Howard University transitioned from Dr. Edward Martin to Dr. James H. Johnson, Jr. At the time of his appointment Dr. Johnson served as professor of civil engineering and Dean of the College of Engineering, Architecture and Computer Sciences. Program activities under Dr. Johnson were in the following areas: • Increase the institution’s capacity to conduct scientific research and technical investigations at the cutting-edge. • Promote interactions, collaborations and partnerships between the private sector, Federal agencies, majority research institutes and other HBCUs. • Assist other HBCUs in reaching parity in engineering and related fields. • Mentor young investigators and be a role model for students.

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

Advanced Energy Design Guide for K-12 School Buildings (AEDG) Training: Cooperative Research and Development Final Report, CRADA Number CRD-18-00761

U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE), Building Technologies Office (BTO), Commercial Buildings Integration (CBI) Program supports the adoption of zero energy ready buildings design practices through targeted Science, Technology, Engineering, and Mathematics (STEM) workforce development. The National Renewable Energy Laboratory (NREL) identified the opportunity to provided targeted training to those professionals that have the greatest potential to impact adoption and successful design outcomes of zero energy ready buildings projects. In January 2018, ASHRAE released Achieving Zero Energy: Advanced Energy Design Guide for K-12 School Buildings (AEDG). The AEDG was developed in collaboration with NREL, American Institute of Architects (AIA), American Society of Heating, Refrigeration and Air-conditioning Engineers (ASHRAE), U.S. Green Building Council (USGBC), and Illuminating Engineers Society (IES). The purpose of this CRADA was to create a partnership between NREL, AIA, ASHRAE, USGBC, and IES to create and host on-demand, web-based training based on the AEDG.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Co-Optimization of Fuels & Engines Findings and Impact (FY2015-FY2021 Report)

Breakthroughs from the U.S. Department of Energy Co-Optimization of Fuels & Engines (Co-Optima) initiative could make it possible to more rapidly cut emissions, reduce dependence on international petroleum, and contribute to ambitious national goals to slow global warming on the land, in the air, and across the water. Findings from the 6-year collaborative undertaking are now available in this report.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2016

Building Effective Collaborations to Bring Innovation into Waste Management and Decommissioning - 16477

A strong record of research collaboration has been developing between the UK nuclear industry and key universities with nuclear specialism over the past 15 years or so. The DISTINCTIVE program, focusing on decommissioning, immobilization and storage solutions for nuclear waste inventories is an example. It is a consortium of eleven universities funded by the Engineering and Physical Sciences Research Council, National Nuclear Laboratory, Nuclear Decommissioning Authority and Sellafield Limited. The motivation for industry collaboration with universities is explained and the current progress of DISTINCTIVE in the context of these motivations is assessed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

MIBiG 4.0: advancing biosynthetic gene cluster curation through global collaboration

Specialized or secondary metabolites are small molecules of biological origin, often showing potent biological activities with applications in agriculture, engineering and medicine. Usually, the biosynthesis of these natural products is governed by sets of co-regulated and physically clustered genes known as biosynthetic gene clusters (BGCs). To share information about BGCs in a standardized and machine-readable way, the Minimum Information about a Biosynthetic Gene cluster (MIBiG) data standard and repository was initiated in 2015. Since its conception, MIBiG has been regularly updated to expand data coverage and remain up to date with innovations in natural product research. Here, we describe MIBiG version 4.0, an extensive update to the data repository and the underlying data standard. In a massive community annotation effort, 267 contributors performed 8304 edits, creating 557 new entries and modifying 590 existing entries, resulting in a new total of 3059 curated entries in MIBiG. Particular attention was paid to ensuring high data quality, with automated data validation using a newly developed custom submission portal prototype, paired with a novel peer-reviewing model. MIBiG 4.0 also takes steps towards a rolling release model and a broader involvement of the scientific community. MIBiG 4.0 is accessible online at https://mibig.secondarymetabolites.org/.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Summer Proceedings 2018: The Center for Computing Research at Sandia National Laboratories

The Center for Computing Research (CCR) at Sandia National Laboratories organizes an active and productive summer program each year, in coordination with the Computer Science Research Institute (CSRI) and Cyber Engineering Research Institute (CERI). CERI focuses on open, exploratory research in cyber security in partnership with academia, industry, and government, and provides collaborators an accessible portal to Sandia's cybersecurity experts and facilities. Moreover, CERI provides an environment for visionary, threat-informed research on national cyber challenges. CSRI brings university faculty and students to Sandia National Laboratories for focused collaborative research on DOE computer and computational science problems. CSRI provides a mechanism by which university researchers learn about problems in computer and computational science at DOE Laboratories. Participants conduct leading - edge research, interact with scientists and engineers at the laboratories, and help transfer the results of their research to programs at the labs.

97 MATHEMATICS AND COMPUTING↗