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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Data for System Analysis of Lipomyces starkeyi During Growth on Various Plant‑Based Sugars

Oleaginous yeasts have received significant attention due to their substantial lipid storage capability. The accumulated lipids can be utilized directly or processed into various bioproducts and biofuels. Lipomyces starkeyi is an oleaginous yeast capable of using multiple plant-based sugars, such as glucose, xylose, and cellobiose. It is, however, a relatively unexplored yeast due to limited knowledge about its physiology. In this study, we have evaluated the growth of L. starkeyi on different sugars and performed transcriptomic and metabolomic analyses to understand the underlying mechanisms of sugar metabolism. Principal component analysis showed clear differences resulting from growth on different sugars. We have further reported various metabolic pathways activated during growth on these sugars. We also observed non-specific regulation in L. starkeyi and have updated the gene annotations for the NRRL Y-11557 strain. This analysis provides a foundation for understanding the metabolism of these plant-based sugars and potentially valuable information to guide the metabolic engineering of L. starkeyi to produce bioproducts and biofuels.

Conversion↗
DOE OSTI2015

Interoperability of Materials Database Systems in Support of Nuclear Energy Development and Potential Applications for Fuel Cell Material Selection

Materials database interoperability has been of great interest in recent years for information exchange in support of research and development (R&D). In response to data and knowledge sharing needs of the GenIV International Forum (GIF) for global collaboration in nuclear energy R&D, the European Commission JRC Institute for Energy and Transport (JRC-IET) and the Oak Ridge National Laboratory (ORNL) have established a materials database interoperability project that develops techniques for automated materials data exchange between systems hosted at the two institutes MatDB Online at JRC IET and the Gen IV Materials Handbook at ORNL, respectively. The work to enable automated exchange of data between the two systems leverages the XML data import and export functionalities of both systems in combination with recently developed standards for engineering materials data. The preliminary results of data communication between the two systems have demonstrated the feasibility and efficiency of materials database interoperability, which constructs an interoperation framework that can be seamlessly integrated into the high-throughput First Principles material databases and thus advance the discovery of novel materials in fuel cell applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Analysis of Organic Electron Materials using Neutron Scattering (Final Report)

Neutron scattering is a powerful suite of measurement techniques that enable unique analysis of structure and dynamics of a wide variety of materials. Specifically, neutrons interact strongly with protons, which enables excellent contrast in light element organic materials that cannot be obtained with any other measurements. This series of three proposals focused on using inelastic neutron scattering (INS) to study the vibrations (dynamics) of the organic molecules involved in organic electronic devices. Our main goals were to demonstrate that INS is capable of elucidating new, useful, and unique knowledge about organic electronic samples that could be used to improve the function of devices or to solve outstanding problems that could not be solved using other measurement techniques. Since all of the goal involved using INS or other neutron techniques to do something “new” a large part of the effort was focused on complex data interpretation and development of modeling workflows that could be used by other members of the organic electronics community to study their materials. To facilitate the goal of making INS measurements more accessible to a broader community and for a wider range of materials, we optimized and engineered the computational workflows to be well documented, publicly available, and user friendly. The individual titles of the three sequential DOE-BES awards are: (1) Engineering doping profiles in organic semiconducting materials, (2) Measurement and modeling of molecular dopant structure and dynamics, and (3) Quantification of Dynamic Disorder in Electronic and Excitonic Organic Materials. For readability, this report is organized to highlight the progress of the research thematically. Many of the ideas started in one grant period and then spilled over into later awards and collaborative research.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Planetary Load Sharing in Three-Point- Mounted Wind Turbine Gearboxes: Preprint

Wind turbine gearboxes do not achieve their expected design life. The cost of gearbox replacements and rebuilds and the downtime associated with these failures increase the cost of wind energy. In 2007, the U.S. Department of Energy established the National Renewable Energy Laboratory (NREL) Gearbox Reliability Collaborative (GRC). Its goals are to understand the root causes of premature gearbox failures and improve their reliability. To date, the GRC has focused on a 750-kW drivetrain with a three-stage, three-point-mounted gearbox. A nonproprietary version of the gearbox containing CRBs with C3 clearances in the planetary stage was customized. Two of these gearboxes, GB1 and GB2, were manufactured and then tested in the National Wind Technology Center's 2.5-MW dynamometer and in the field. Major GRC findings include the detrimental effect of rotor moments on planetary load sharing and predicted fatigue, and the risk of bearing sliding in low-torque conditions for three-point configuration drivetrains. Based on the knowledge gained from testing and analysis of the original design, the GRC gearbox was redesigned to improve its load-sharing characteristics and predicted fatigue. This new gearbox is named GB3. As shown in Figure 1, its key improvement is the incorporation of preloaded TRBs that support the planet carrier and planets. Roller loads can be optimized and bearing life maximized with a small preload [4]. These preloaded bearings, along with interference-fitted planet pins, improve alignments and load-sharing characteristics. A semi-integrated planet bearing design also increases capacity and eliminates outer race fretting. Romax Technology, with Powertrain Engineers and the Timken Company (Timken), completed the redesign. Timken manufactured and instrumented the planet gears and bearings. Brad Foote Gearing manufactured the other gearing and assembled the gearbox.

17 WIND ENERGY↗
DOE OSTI2022

Systems analysis of Lipomyces starkeyi during growth on various plant-based sugars

Oleaginous yeasts have received significant attention due to their substantial lipid storage capability. The accumulated lipids can be utilized directly or processed into various bioproducts and biofuels. Lipomyces starkeyi is an oleaginous yeast capable of using multiple plant-based sugars, such as glucose, xylose, and cellobiose. It is, however, a relatively unexplored yeast due to limited knowledge about its physiology. In this study, we have evaluated the growth of L. starkeyi on different sugars and performed transcriptomic and metabolomic analyses to understand the underlying mechanisms of sugar metabolism. Principal component analysis showed clear differences resulting from growth on different sugars. We have further reported various metabolic pathways activated during growth on these sugars. We also observed non-specific regulation in L. starkeyi and have updated the gene annotations for the NRRL Y-11557 strain. Furthermore, this analysis provides a foundation for understanding the metabolism of these plant-based sugars and potentially valuable information to guide the metabolic engineering of L. starkeyi to produce bioproducts and biofuels.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

The Alternative Energy Future (Final Scientific/Technical Report)

The American Academy’s project on “The Alternative Energy Future” identified societal barriers to the widespread adoption of new energy technologies and assessed how these barriers might be better understood and managed through social science research. Recognizing that today’s energy system will require substantial change to maintain a sufficient energy supply in the face of environmental and geopolitical challenges, the Academy convened a wide range of experts to study the legal, social, and economic issues surrounding the energy future and to develop recommendations for future social science research. A May 2011 workshop in Washington, D.C., brought together social scientists, scientists and engineers, business leaders, and government officials to assess how individual, household, institutional, and community behaviors affect the adoption of new energy technologies and practices. Participants examined how social science research could help address this problem; identified priorities for future research; and developed five broad strategies for enhancing collaboration between social scientists and policy makers. The project generated a research agenda for future social science research on social and behavioral issues related to energy production and use. This agenda is already informing government, academic, and industry research on energy by providing a framework for new research programs and cross-disciplinary collaborations to advance knowledge of critical energy challenges. It is also the basis for a newly-established interdisciplinary forum on energy and social science based at the Academy. The findings and recommendations from this study were published in an Academy report, Beyond Technology: Strengthening Energy Policy through Social Science. The report was distributed widely to the Academy’s membership and other experts and is available to the public on the Academy’s web site (www.amacad.org/pdfs/AlternativeEnergy.pdf).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Multi-level optimization with the koopman operator for data-driven, domain-aware, and dynamic system security

Cyber-Physical Systems (CPSs) like the power grid are critically important but also increasingly vulnerable; ensuring reliable system operation in the face of disruptions is becoming more and more challenging. Multi-Level Optimization (MLO) is a powerful way to model adversarial interactions, which naturally makes it applicable to studying CPS security. However, MLO typically does not address underlying system dynamics, and incorporating nonlinear dynamics is generally infeasible. In this paper, we show how to combine MLO with the Koopman Operator (KO) to remedy this. The KO maps nonlinear dynamics to a lifted space in which those dynamics are linear, thus making it ideal for use with MLO. Moreover, the structure of the KO also provides convenient ways to incorporate domain knowledge into the data-driven process of learning the KO representation of a given system. Here we then demonstrate the use of MLO-KO on a small example problem taken from the power grid domain, discuss the scalability and computational cost of MLO-KO, and identify future research directions for this work.

42 ENGINEERING↗
DOE OSTI2021

Expert Text Analysis in the Inclusion of History and Philosophy of Science in Higher Education

The history and philosophy of science (HPS) plays a special role in education. An elective HPS course onthe philosophy of scientific experimentation for young scientists and graduate students of natural scienceis presented. The course bears a pragmatic character, and its main aims include the development of criticalthinking (CT), familiarization with philosophical problems in the relevant areas of knowledge, and thecultivation of a taste for reflective, critical analysis, both individual and group-based, which contributes todeeper understanding of the features of scientific practice in the context of modern complex groupcooperation. Students are offered a classical HPS program that included debates on the relationship betweenempiricism and rationalism, the role of Kant’s transcendental philosophy, modern topics associated withthe practical success of rationalism in the emergence of modern natural science, and the theory-ladennessof experimentation. Particular attention during the course is paid to the problems of megascience, theinclusion of which is justified by the specifics of the students’ engagement with science, technology,engineering, and mathematics (STEM). Emphasis is placed on the structure and typology of the collectivesubject in the modern educational process as well as in experimental practice. Lessons on the methodologyof expert text analysis (META), which are aimed at the development of critical thinking skills and thecreation of an interdisciplinary discussion space, are included in the course and relied on the example ofthe history and philosophy of high energy physics to motivate professional reflection. META classesincluded in the course prepare graduate students for teamwork in big science, proto-megascience, andmegascience. The course offers practical recommendations that could be applied to students’ own researchand could be useful for practitioners.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

A novel approach to build algal consortia for sustainable biomass production

In the last decade, microalgae have reemerged as a feedstock for biofuels and a diverse suite of bioproducts. Yet, considerable challenges must be overcome before algal biofuels and bioproducts become technoeconomically viable. At present, single algal strain selected for particular phenotypic traits, such as maximum specific growth rate or lipid content, are commonly scaled for cultivation in open, outdoor raceway ponds due to the low capital costs of these systems. Although this monoculture approach may maximize the production of end products, monocultures are particularly susceptible to crashes associated with environmental and biological variability. An approach that has been proposed to generate more productive and stable microalgal crops is the use of eco-engineered communities, or consortia. Yet, attempts to construct productive consortia have not been consistently successful. We argue that failures stem from the lack of an eco-engineering approach to design species combinations. Here, we used an in silico method to build consortia before testing their performance against monocultures. Focusing on consortia of Nannochloropsis and Microchloropsis, we measured growth of strains along gradients of light, temperature, and salinity and used a functional dispersion approach to generate over 8000 functionally-diverse consortia combinations. We tested the 50 most functionally diverse consortia in a laboratory experiment and found that consortia overwhelmingly outperformed monocultures. Indeed, overyielding (OY) and a positive net biodiversity effect (NBE) was found respetively in 8%-86% and 88-92% of consortia combinations over the different experimental phases. To our knowledge, this is the first application of an in silico approach to design functionally diverse consortia before laboratory and field testing. Furthermore, our results highlight the importance of employing a functional diversity approach for consortia design.

09 BIOMASS FUELS↗
DOE OSTI2015

Rubble masonry response under cyclic actions: The experience of L’Aquila city (Italy)

Several methods of analysis are available in engineering practice to study old masonry constructions. Two commonly used approaches in the field of seismic engineering are global and local analyses. Despite several years of research in this field, the various methodologies suffer from a lack of comprehensive experimental validation. This is mainly due to the difficulty in simulating the many different kinds of masonry and, accordingly, the non-linear response under horizontal actions. This issue can be addressed by examining the local response of isolated panels under monotonic and/or alternate actions. Different testing methodologies are commonly used to identify the local response of old masonry. These range from simplified pull-out tests to sophisticated in-plane monotonic tests. However, there is a lack of both knowledge and critical comparison between experimental validations and numerical simulations. This is mainly due to the difficulties in implementing irregular settings within both simplified and advanced numerical analyses. Similarly, the simulation of degradation effects within laboratory tests is difficult with respect to old masonry in-situ boundary conditions. Numerical models, particularly on rubble masonry, are commonly simplified. They are mainly based on a kinematic chain of rigid blocks able to perform different “modes of damage” of structures subjected to horizontal actions. This paper presents an innovative methodology for testing; its aim is to identify a simplified model for out-of-plane response of rubbleworks with respect to the experimental evidence. The case study of L’Aquila district is discussed.

58 GEOSCIENCES↗
DOE OSTI2024

A Cast of Thousands: How the IDEAS Productivity Project Has Advanced Software Productivity and Sustainability

Computational and data-enabled science and engineering are revolutionizing advances throughout science and society, at all scales of computing. For example, teams in the U.S. Department of Energy’s Exascale Computing Project have been tackling new frontiers in modeling, simulation, and analysis by exploiting unprecedented exascale computing capabilities—building an advanced software ecosystem that supports next-generation applications and addresses disruptive changes in computer architectures. However, concerns are growing about the productivity of the developers of scientific software. Members of the Interoperable Design of Extreme-scale Application Software project serve as catalysts to address these challenges through fostering software communities, incubating and curating methodologies and resources, and disseminating knowledge to advance developer productivity and software sustainability. This article discusses how these synergistic activities are advancing scientific discovery—mitigating technical risks by building a firmer foundation for reproducible, sustainable science at all scales of computing, from laptops to clusters to exascale and beyond.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature

Synthesis prediction is a key accelerator for the rapid design of advanced materials. However, determining synthesis variables such as the choice of precursor materials is challenging for inorganic materials because the sequence of reactions during heating is not well understood. In this work, we use a knowledge base of 29,900 solid-state synthesis recipes, text-mined from the scientific literature, to automatically learn which precursors to recommend for the synthesis of a novel target material. The data-driven approach learns chemical similarity of materials and refers the synthesis of a new target to precedent synthesis procedures of similar materials, mimicking human synthesis design. When proposing five precursor sets for each of 2654 unseen test target materials, the recommendation strategy achieves a success rate of at least 82%. Our approach captures decades of heuristic synthesis data in a mathematical form, making it accessible for use in recommendation engines and autonomous laboratories.

36 MATERIALS SCIENCE↗
DOE OSTI2016

The High Burnup Structure: Overview of Properties and Recent Findings

During irradiation in a nuclear reactor, the fuel pellet experiences non-uniform fission density and intense thermomechanical solicitations, which result in alterations and restructuring occurring non-homogeneously in the fuel volume. The irradiated fuel is characterized by a highly heterogeneous structure, and a corresponding heterogeneous distribution of phases and properties. One of the most significant restructuring processes affecting the fuel is the formation of the high burnup structure (HBS) occurring at relatively high local burnup and relatively low temperature. At the optical and scanning electron microscopy level, HBS is characterized by subdivision of the original grains into sub-micron grains and in the formation of a new micron-size class of pores which collect the fission gas. The changes associated with the HBS formation extend to cover a broad range of scales, down to the nanometer level and up to the macroscopic, engineering scale. The macroscopic properties determining the performance and the safety behaviour of the fuel are affected by the presence of HBS. This paper presents highlights from fuel safety studies performed at JRC-ITU and in other laboratories applying a broad spectrum of PIE techniques. The technical challenges associated with the experimental characterization of highly radioactive irradiated fuel at a 'multi-scale' level are also discussed. The investigation of HBS and high burnup fuel properties and behaviour still provides new and, in some cases, unexpected findings. More results are being produced adopting advanced methods of analysis; the integration of old and new knowledge may provide the needed insight for the full understanding of these exciting processes. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Systematic identification of transcriptional activation domains from non-transcription factor proteins in plants and yeast

Transcription factors can promote gene expression through activation domains. Whole-genome screens have systematically mapped activation domains in transcription factors but not in non-transcription factor proteins (e.g., chromatin regulators and coactivators). To fill this knowledge gap, we employed the activation domain predictor PADDLE to analyze the proteomes of Arabidopsis thaliana and Saccharomyces cerevisiae. We screened 18,000 predicted activation domains from >800 non-transcription factor genes in both species, confirming that 89% of candidate proteins contain active fragments. Our work enables the annotation of hundreds of nuclear proteins as putative coactivators, many of which have never been ascribed any function in plants. Analysis of peptide sequence compositions reveals how the distribution of key amino acids dictates activity. Finally, we validated short, "universal" activation domains with comparable performance to state-of-the-art activation domains used for genome engineering. Our approach enables the genome-wide discovery and annotation of activation domains that can function across diverse eukaryotes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

On Parallel Push-Relabel based Algorithms for Bipartite Maximum Matching

We study multithreaded push-relabel based algorithms for computing maximum cardinality matching in bipartite graphs. Matching is a fundamental combinatorial (graph) problem with applications in a wide variety of problems in science and engineering. We are motivated by its use in the context of sparse linear solvers for computing maximum transversal of a matrix. We implement and test our algorithms on several multi-socket multicore systems and compare their performance to state-of-the-art augmenting path-based serial and parallel algorithms using a testset comprised of a wide range of real-world instances. Building on several heuristics for enhancing performance, we demonstrate good scaling for the parallel push-relabel algorithm. We show that it is comparable to the best augmenting path-based algorithms for bipartite matching. To the best of our knowledge, this is the first extensive study of multithreaded push-relabel based algorithms. In addition to a direct impact on the applications using matching, the proposed algorithmic techniques can be extended to preflow-push based algorithms for computing maximum flow in graphs.

Push-relabel, matching, bipartite↗
DOE OSTI2017

Electrode Slurry Particle Density Mapping Using X-ray Radiography

The internal structure of a porous electrode strongly influences battery performance. Understanding the dynamics of electrode slurry drying could aid in engineering electrodes with desired properties. For instance, one might monitor the dynamic, spatially-varying thickness near the edge of a slurry coating, as it should lead to non-uniform thickness of the dried film. This work examines the dynamic behavior of drying slurry drops consisting of SiO x and carbon black particles in a solution of carboxymethylcellulose and deionized water, as an experimental model of drying behavior near the edge of a slurry coating. An X-ray radiography-based procedure is developed to calculate the evolving spatial distribution of active material particles from images of the drying slurry drops. To the authors’ knowledge, this study is the first to use radiography to investigate battery slurry drying, as well as the first to determine particle distributions from radiography images of drying suspensions. The dynamic results are consistent with tomography reconstructions of the static, fully-dried films. It is found that active material particles can rapidly become non-uniformly distributed within the drops. Heating can promote distribution uniformity, but seemingly must be applied very soon after slurry deposition. Higher slurry viscosity is found to strongly restrain particle redistribution.

25 ENERGY STORAGE↗