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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Basic Research Needs for Communicating Basic Science

Basic science—also known as discovery or foundational research—is the fuel that powers our innovation ecosystem and the global economy. Despite this critical role, public awareness for how and where basic research is done, how it is funded, and its need for sustainable support over the long term is negligible. The ability to engage broader publics in awareness and understanding of basic science is paramount if we are to maintain the research enterprise that has transformed the modern world. Communicating how the federal government stewards taxpayer dollars for basic science is also incumbent on the agencies and scientists who use public dollars for their research. However, science communication is a complex activity that requires advanced planning, resources, and skill. Therefore, it is important to understand what we know about communicating basic science to the broader publics, as well as what we do not know, to be strategic and better equipped for effective, meaningful engagement. To identify and explore knowledge gaps in our understanding of basic science communication, the Science Public Engagement Partnership (SciPEP), a public-private partnership of the U.S. Department of Energy (DOE) Office of Science and The Kavli Foundation, carried out a two-part landscape analysis: literature surveys of social science scholarship and a basic research needs conference.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

Basic Research Needs for Transformative Manufacturing (Brochure)

Manufacturing is central to the nation’s prosperity and security. Manufacturing currently represents about 12% of the gross domestic product, provides nearly 13 million jobs, and accounts for about 25% of energy use. The nation’s economy relies heavily on wide-ranging manufacturing sectors - all of which share common challenges including data issues, lack of physics and chemistry-based models across scales, and resource constraints in a global environment. Furthermore, there are many hurdles that must be overcome to move basic science innovations to market. Addressing broad-ranging challenges demands a basic-science strategy that underpins applied research activities. This strategy would accelerate innovation and transform manufacturing. A Basic Research Needs workshop for Transformative Manufacturing was held in March 2020. The focus of the workshop was to identify the basic science research priorities that could accelerate innovation to transform manufacturing in the future. This was the first workshop of its kind to examine how basic energy science can drive manufacturing forward and innovate new ways to manufacture goods. Five Priority Research Directions were identified that address these science challenges: (1) innovative synthetic approaches to enable scalable assembly of matter, (2) computational methods and theoretical models to transform how manufacturing processes are controlled, (3) new characterization tools that can handle the necessary complexity, scales, and processing speeds to meet manufacturing needs, (4) new science to address opportunities relevant to sustainable and energy-efficient manufacturing, and (5) foundational approaches to co-design of materials, process, and products.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Surface basicity controls C–C coupling rates during carbon dioxide-assisted methane coupling over bifunctional Ca/ZnO catalysts

Carbon dioxide-assisted coupling of methane offers an approach to chemically upgrade two greenhouse gases and components of natural gas to produce ethylene and syngas. Prior research on this reaction has concentrated efforts on catalyst discovery, which has indicated that composites comprised of both reducible and basic oxides are especially promising. There is a need for detailed characterization of these bifunctional oxide systems to provide a more fundamental understanding of the active sites and their roles in the reaction. We studied the dependence of physical and electronic properties of Ca-modified ZnO materials on Ca content via X-ray photoelectron and absorption spectroscopies, electron microscopy, and infrared spectroscopic temperature-programmed desorption (IR-TPD). It was found that introduction of only 0.6 mol% Ca onto a ZnO surface is necessary to induce significant improvement in the catalytic production of C 2 species: C 2 selectivity increases from 5% on un-modified ZnO to 58%, at similar conversions. Evidence presented shows that this selectivity increase results from the formation of an interface between the basic CaO and reducible ZnO phases. Furthermore, the basicity of these interface sites correlates directly with catalytic activity over a wide composition range, and this relationship indicates that moderate CO 2 adsorption strength is optimal for CH 4 coupling. These results demonstrate, for the first time to our knowledge, a volcano-type relationship between CO 2 -assisted CH 4 coupling activity and catalyst surface basicity, which can inform further catalyst development.

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

Comprehensive Physical Activity Assessment During U.S. Army Basic Combat Training

Abstract Alemany, JA, Pierce, JR, Bornstein, DB, Grier, TL, Jones, BH, and Glover, SH. Comprehensive physical activity assessment during U.S. Army Basic Combat Training. J Strength Cond Res 36(12): 3505–3512, 2022—Physical activity (PA) volume, intensity, and qualitative contextual information regarding activity type and loads carried are limited during U.S. Army Basic Combat Training (BCT). The purpose of this study was to characterize daily (05:00–20:00 hours) PA during BCT using a comprehensive approach. During 2 10-week BCT cycles ( n = 40 trainees per cycle), pedometers, accelerometers, and direct observation were used to estimate daily step count, PA volume, and intensity. Physical activity intensity was categorized by metabolic equivalents (METs) such as “sedentary” (1–2 METs), “light” (2–3 METs), “moderate” (3–6 METs), or “vigorous” (≥6 METs). Daily PA data were analyzed longitudinally using linear mixed models, with significance set at p ≤ 0.05. The mean daily step count was 13,459 ± 4,376 steps, and the mean daily accelerometer-assessed PA volume and intensity were as follows: sedentary: 505 ± 98 minutes, light: 190 ± 78 minutes, moderate: 168 ± 51 minutes, and vigorous: 14 ± 14 minutes, with no differences between cycles for all measures ( p > 0.50). Cumulative time on feet (∼50%) and sitting (20–25%) accounted for most daily activity types during both cycles. Trainees, on average, carried between 3 and 9 kg, and ≥9 kg, for 60% and 10% of the monitored day, respectively. Basic Combat Training's physical demands are high, where trainees achieved 1.7 to 2.7 times greater daily ambulation and 6 times the recommended weekly moderate-to-vigorous PA compared with civilian counterparts and performed weight-bearing load carriage for nearly half of the day. Basic Combat Training-associated PA may increase injury risk among trainees unaccustomed to arduous PA and exercise. Implementing national PA policies to improve physical fitness and facilitate acclimatization to BCT's high physical demands could reduce public health burdens and military nonreadiness.

Sport Sciences↗
DOE OSTI2024

Basic Energy Sciences Roundtable: Foundational Science to Accelerate Nuclear Energy Innovation

Energy security, availability, and reliability are among the greatest challenges facing the nation and the planet. An abundant potential source of energy resides in the fundamental atomic building blocks of the universe in the form of nuclear fission and fusion reactions. In fact, energy from nuclear fission currently provides the majority of the world’s zero-carbon electricity, and future fusion energy systems offer great promise; carbon-free nuclear energy technologies can be key to the world’s decarbonized energy future. Although contemporary fission systems use well-established technologies to supply safe and efficient baseload power, they could be more fuel efficient and less costly. Moving beyond massive light-water fission reactors to a variety of advanced nuclear systems—which will vary in size and operate in extremes of temperature, corrosivity, and other parameters—will place stringent conditions on materials and chemical systems. New demands will be placed on the coolants and solvents, the materials, and the monitoring tools used in these reactors. Fusion-based nuclear energy will require superior materials to withstand extremely high temperatures, plasma exposure, radiation damage, and implanted gases. The advantages associated with these new fission and fusion technologies will be realized only through continued advancements in the fundamental science underpinning our knowledge of the physics and chemistry of nuclear systems gained via improved experimental and computational methods. In July 2022, the U.S. Department of Energy’s Office of Basic Energy Sciences—in coordination with the Offices of Nuclear Energy, Fusion Energy Sciences, and Advanced Scientific Computing Research—held a virtual roundtable titled “Foundational Science to Accelerate Nuclear Energy Innovation” to discuss the scientific and technical barriers for advanced nuclear energy systems. Five priority research opportunities were identified to address these scientific and technical challenges and to accelerate progress toward the realization of next-generation fusion and fission energy systems. The foundational science gaps inhibiting the advancement of nuclear energy technologies are identified and tackled in five priority research opportunities. These opportunities pave the way to accelerate the development and ultimately the adoption of new nuclear energy systems. They include the fundamental aspects of ion-electron interactions; novel properties of next-generation coolants and solvents; interfacial dynamics, not only in solids, but in other aspects of nuclear reactors; novel operando and in situ monitoring and sensing; and artificial intelligence to accelerate condensed phases discovery. Building on the foundation established by previous Basic Energy Sciences workshops, these opportunities encompass recent advances in fundamental knowledge and focus on the experimental and computational methods needed to resolve major technical challenges for nuclear energy technologies. Through developing fundamental scientific insight as well as pushing the frontiers of modeling complex systems and probing the operation of materials and chemical systems in extreme environments, research motivated by the priorities identified here will further develop the promise, potential, and utilization of nuclear energy for a clean energy future.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

A study of rare earth ion-adsorption clays: The speciation of rare earth elements on kaolinite at basic pH

Synthesized rare earth ion-adsorption clays (La, Ce, Nd, Dy and Y, ~ 400 ppm each) were prepared from kaolinite at various basic pH in open-air conditions. X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and inductively coupled plasma mass spectrometry (ICP-MS) were used to characterize the effect of pH on the adsorption mechanism of rare earth elements (REEs) on kaolinite. The crystal structure of kaolinite by XRD analysis is not altered after REE adsorption, suggesting that REEs are bound to the surface of kaolinite. Elemental analysis by XPS and ICP-MS show that the surface concentration of REEs on kaolinite is pH dependent, and a local maximum of the surface concentration is achieved at pH 10. Three characteristics of the La 3d 5/2 XPS photoemission feature were measured and compared to those of standard La compounds to probe the speciation of REEs, and electrostatically bound hydroxides such as REE(OH) 2 + are identified as the primary species on the surface of kaolinite. Finally, compared to the typical ion-adsorption clays with intrinsic acidic pH, clays synthesized at basic pH exhibit similarly high rare earth ion-exchange efficiency with ammonium sulfate (AS), suggesting that rare earth ion-adsorption clays can exist in both acidic and basic environments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analysis of basic airflow configurations for separate sensible and latent cooling systems with indoor air recirculation

Separate sensible and latent cooling (SSLC) is a technology with efficiency and comfort advantages over conventional cooling systems used for space conditioning of buildings. Using multiple cooling processes at different temperatures allows SSLC to save energy by raising the evaporation temperature of the sensible cooling process. In this paper, all possible airflow configurations of SSLC systems are enumerated under the following constraints: exactly two heat exchangers are used, and air is recirculated to the conditioned space (no exhaust or outdoor air treatment). Seven designs are identified, with varying free operating variables, and each is modeled. Analysis reveals that several configurations are equivalent, and there is only one unique basic airflow SSLC configuration: the one with the sensible and latent heat exchangers placed in series. The efficiency of the SSLC system is compared against that of the conventional system. Under standard conditions, an SSLC system can improve the coefficient of performance by 14.8%. In addition to the numerical simulation, the optimal operating condition of the basic air configuration of the SSLC system is derived analytically. The basic SSLC system is shown to offer the highest performance improvement when the outdoor temperature is relatively cool and the space sensible heat ratio is high.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Organisation of Diverse Mechanisms of Secondary Ice Production among Basic Convective and Stratiform Cloud-types

This 3-year DoE-funded joint project had the over-arching aim of understanding how ice is initiated in clouds of various types. Focus was given to processes of fragmentation of pre-existing ice, which can occur in positive feedback loops (‘ice multiplication’). A basic question to address was which fragmentation processes prevail in which basic cloud-types. The approach was to use cloud models and field observations, while pioneering our own lab observations of ice initiation to break the deadlock from the past lack of lab observations. Historically, the tendency of the cloud physics community to avoid doing lab observations has allowed a vast gap in knowledge about ice initiation to persist for decades. During the first part of the project, new formulations were created to treat two overlooked types of fragmentation of ice. First, sublimational breakup of ice was treated based on a theoretical formula that we fitted to a pooled dataset of lab observations published previously in the literature. Second, a new mode of fragmentation of freezing raindrops was treated, which involves a supercooled drop being hit by a more massive ice particle. Some of the secondary droplets from the impact freeze. This work was done at Manchester University by Co-I Connolly. Then during the second part, both formulations were implemented in our ‘aerosol-cloud model’ (AC). AC has a hybrid bin/bulk microphysics scheme, and now represents four processes of SIP. The accuracy of AC was evaluated for four cases typifying four basic cloud-types: slightly cold-based stratiform cloud and cold-, warm- and very warm-based convective clouds. We discovered that the warmth of cloud-base, especially in the tropics, promotes SIP processes of raindrop-freezing fragmentation and rime-splintering, and surprisingly, sublimational breakup too. It was found that breakup in ice-ice collisions is ubiquitous. Finally, a portable laboratory chamber was constructed at Lund and deployed in northern Sweden to observe breakup in graupel-snow collisions outdoors. This was seen to be even more prolific than treated in our 2018 formulation. Papers describing results are either published or soon to be published.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Sustainable Development in Basic Education Sciences in Portugal—Perspective of Official Curriculum Documents

This study aims to identify and characterize the understanding of the concept of Sustainable Development in the official scientific educational documents of basic education in Portugal. Methodologically, it is a qualitative study that fits into the interpretive paradigm; its implementation is based on an interpretative-descriptive strategy of exploratory nature. The study involved the organization of the analysis corpus and the subsequent content analysis of the selected documents. The documents included in this corpus are the official educational documents on the teaching and learning of Natural Sciences in Basic Education (1st to 9th grade—ages 6 to 15): the Essential Learning and two transversal documents (the Student Profile on Leaving Compulsory Schooling and the Environmental Education Framework for Sustainability). The obtained results show that these documents frame and guide the implementation of Education for Sustainable Development, in all its dimensions, throughout basic education. However, this does not happen in an equitable way, neither in all documents nor in all years of schooling.

João, Patrícia (ORCID:0000000201021191)↗
DOE OSTI2025

Impact of Pendant Amine Basicity on Electrochemically-Promoted Cobalt Hydride Formation: Kinetic and Mechanistic Analysis

Here, we report the role of pendant amine basicity on the proton-coupled electron transfer (PCET) reactivity for the conversion of [Co III Cp(P Ph 2 N R 2 )(CH 3 CN)] 2+ complexes to [HCo III Cp(P Ph 2 N R 2 )] + , which is a key transformation involved in catalytic CO 2 conversion to formate and in H 2 evolution. Three complexes were studied, where the amine substituent (R) varies from benzyl, methoxyphenyl, or phenyl. In previous work on the benzyl system, we showed that the amine on the P Ph 2 N Bn 2 ligand serves as a kinetically accessible protonation site and enables three participating hydride formation mechanisms. In this work, a combination of electrochemical measurements and theoretical calculations were used to show that the electronic donation at the pendant amine influences the accessible PCET mechanism and proton transfer kinetics related to cobalt hydride formation under analogous reaction conditions. Notably, the amine with the most electron-donating substituent correlates to the lowest barrier for amine protonation, and specific cobalt hydride formation mechanisms can be shut off for the amine with the least electron-donating substituent. The mechanistic and kinetic changes upon modulation of the amine substituent have great implications for overall catalytic efficiency and selectivity, especially to generate the cobalt hydride intermediate involved in selective CO 2 reduction to formate. This work shows how to exploit kinetic basicity using ligand-cooperative design to facilitate PCET reactions involved in energy related transformations.

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

Overview of Large Helical Device experiments of basic plasma physics for solving crucial issues in reaching burning plasma conditions

Recently, experiments on basic plasma physics issues for solving future problems in fusion energy have been performed on a Large Helical Device. There are several problems to be solved in future devices for fusion energy. Emerging issues in burning plasma are: alpha-channeling (ion heating by alpha particles), turbulence and transport in electron dominant heating helium ash exhaust, reduction of the divertor heat load. To solve these problems, understanding the basic plasma physics of (1) wave–particle interaction through (inverse) Landau damping, (2) characteristics of electron-scale (high-k) turbulence, (3) ion mixing and the isotope effect, and (4) turbulence spreading and detachment, is necessary. This overview discusses the experimental studies on these issues and turbulent transport in multi-ion plasma and other issues in the appendix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

MJO Teleconnections over the PNA Region in Climate Models. Part II: Impacts of the MJO and Basic State

In an assessment of 29 global climate models (GCMs), Part I of this study identified biases in boreal winter MJO teleconnections in anomalous 500-hPa geopotential height over the Pacific–North America (PNA) region that are common to many models: an eastward shift, a longer persistence, and a larger amplitude. In Part II, we explore the relationships of the teleconnection metrics developed in Part I with several existing and newly developed MJO and basic state (the mean subtropical westerly jet) metrics. The MJO and basic state diagnostics indicate that the MJO is generally weaker and less coherent and propagates faster in models compared to observations. The mean subtropical jet also exhibits notable biases such as too strong amplitude, excessive eastward extension, or southward shift. The following relationships are found to be robust among the models: 1) models with a faster MJO propagation tend to produce weaker teleconnections; 2) models with a less coherent eastward MJO propagation tend to simulate more persistent MJO teleconnections; 3) models with a stronger westerly jet produce stronger and eastward shifted MJO teleconnections; 4) models with an eastward extended jet produce an eastward shift in MJO teleconnections; and 5) models with a southward shifted jet produce stronger MJO teleconnections. The results are supported by linear baroclinic model experiments. Our results suggest that the larger amplitude and eastward shift biases in GCM MJO teleconnections can be attributed to the biases in the westerly jet, and that the longer persistence bias is likely due to the lack of coherent eastward MJO propagation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Terminal and Super‐Basic Parent Imides of Hafnium

Abstract A dinuclear hafnium complex containing the parent imido ligand [(PN)(PNC)Hf=NH{μ 2 ‐K}] 2 ( 2 ) (PN − =(N‐(2‐P i Pr 2 ‐4‐methylphenyl)‐2,4,6‐Me 3 C 6 H 2 ; PNC 2− =(N‐(2‐P i Pr 2 ‐4‐methylphenyl)‐2,4,6‐CH 2 Me 2 C 6 H 2 ), was prepared by reduction of the bisazide trans‐[(PN) 2 Hf(N 3 ) 2 ] ( 1 ) with two equiv of KC 8 . Encapsulation of K + in 2 with crown‐ether or cryptand affords the first discrete salt [K(encap)][(PN)(PNC)Hf≡NH] (encap=18‐crown‐6(THF) 2 , 3 ; 2,2,2‐Kryptofix, 4 ), featuring a terminal parent imide and possessing some of the shortest Hf−N bond lengths known to date. DFT calculations revealed formation of 2 to proceed via an extremely basic monomeric nitrido, [(PN) 2 Hf≡N] − ( A ), having a computed p K BH+ of ∼57 followed by heterolytic splitting of an inert 1,2‐CH bond of a benzylic methyl group across the Hf≡N triple bond in A . An electronic structure analysis reveals A to possess a covalent Hf≡N triple bond and of super‐basic character. We also showcase reactivity of the Hf≡NH bond with various electrophiles.

Chemistry↗
DOE OSTI2022

GenASiS Basics: Object-oriented utilitarian functionality for large-scale physics simulations (Version 4)

GenASiS Basics provides modern Fortran classes furnishing extensible object-oriented utilitarian functionality for large-scale physics simulations on distributed memory supercomputers. This functionality includes physical units and constants; display to the screen or standard output device; message passing; I/O to disk; and runtime parameter management and usage statistics. Herein, this revision—Version 4 of Basics—includes a name change and additions to functionality, including the facilitation of direct communication between GPUs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Behavior of B in passivating gels formed on International Simple Glass in acid and basic pH

International Simple Glass altered for years in silica saturated conditions develops a passivating gel, which retains some mobile elements such as B and Ca in its inner region. It has been suggested that the retention of these elements impacts the dissolution rate of the glass. However, the elements' retention mechanism, speciation, and diffusion properties are still unknown. This study finds that simultaneous presence of B and Ca in the solution can dramatically slow down glass alteration. However, splitting the B and Ca into two different solutions with other glass elements did not give similar protection against glass alteration. These experiments along with other experiments conducted in basic or acid pH, in which isotopically tagged B can diffuse in gels revealed that (i) water diffusion is not dramatically affected by the retention of B and Ca in passivating gels, and (ii) slow diffusion and high retention of B is observed only in gels developed in basic pH during the tracing experiments. Finally, this last mechanism therefore appears as one of the many mechanisms controlling the glass dissolution rate in the residual regime.

36 MATERIALS SCIENCE↗