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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 OSTI2014

Line-emitting galaxies beyond a redshift of 7: an improved method for estimating the evolving neutrality of the intergalactic medium

The redshift-dependent fraction of color-selected galaxies revealing Lyman alpha (Lyα) emission, x {sub Lyα} has become the most valuable constraint on the evolving neutrality of the early intergalactic medium. However, in addition to resonant scattering by neutral gas, the visibility of Lyα is also dependent on the intrinsic properties of the host galaxy, including its stellar population, dust content, and the nature of outflowing gas. Taking advantage of significant progress we have made in determining the line-emitting properties of z ≅ 4-6 galaxies, we propose an improved method, based on using the measured slopes of the rest-frame ultraviolet continua of galaxies, to interpret the growing body of near-infrared spectra of z > 7 galaxies in order to take into account these host galaxy dependencies. In a first application of our new method, we demonstrate its potential via a new spectroscopic survey of 7 < z < 8 galaxies undertaken with the Keck MOSFIRE spectrograph. Together with earlier published data, our data provide improved estimates of the evolving visibility of Lyα, particularly at redshift z ≅ 8. As a by-product, we also present a promising new line-emitting galaxy candidate, detected at 4.0σ at redshift z = 7.62. We discuss the improving constraints on the evolving neutral fraction over 6 < z < 8 and the implications for cosmic reionization.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1998

Structures and Mechanical Properties of Natural and Synthetic Diamonds

A revolution in the diamond technology is in progress, as the low-pressure process becomes an industrial reality. It will soon be possible to take advantage of the demanding properties of diamond to develop a myriad of new applications, particularly for self-lubricating, wear-resistant, and superhard coatings. The production of large diamond films or sheets at low cost, a distinct possibility in the not-too-distant future, may drastically change tribology technology, particularly regarding solid lubricants and lubricating materials and systems. This paper reviews the structures and properties of natural and synthetic diamonds to gain a better understanding of the tribological properties of diamond and related materials. Atomic and crystal structure, impurities, mechanical properties, and indentation hardness of diamond are described.

Miyoshi, Kazuhisa↗
NASA NTRS2006

The Gaseous Disks of Young Stellar Objects

Disks represent a crucial stage in the formation of stars and planets. They are novel astrophysical systems with attributes intermediate between the interstellar medium and stars. Their physical properties are inhomogeneous and are affected by hard stellar radiation and by dynamical evolution. Observing disk structure is difficult because of the small sizes, ranging from as little as 0.05 AU at the inner edge to 100-1000 AU at large radial distances. Nonetheless, substantial progress has been made by observing the radiation emitted by the dust from near infrared to mm wavelengths, i.e., the spectral energy distribution of an unresolved disk. Many fewer results are available for the gas, which is the main mass component of disks over much of their lifetime. The inner disk gas of young stellar objects (henceforth YSOs) have been studied using the near infrared rovibrational transitions of CO and a few other molecules, while the outer regions have been explored with the mm and sub-mm lines of CO and other species. Further progress can be expected in understanding the physical properties of disks from observations with sub-mm arrays like SMA, CARMA and ALMA, with mid infrared measurements using Spitzer, and near infrared spectroscopy with large ground-based telescopes. Intense efforts are also being made to model the observations using complex thermal-chemical models. After a brief review of the existing observations and modeling results, some of the weaknesses of the models will be discussed, including the absence of good laboratory and theoretical calculations for essential microscopic processes.

Glassgold, A. E.↗
DOE OSTI2021

RNA nanotechnology to build a dodecahedral genome of single-stranded RNA virus

The quest for artificial RNA viral complexes with authentic structure while being non-replicative is on its way for the development of viral vaccines. RNA viruses contain capsid proteins that interact with the genome during morphogenesis. The sequence and properties of the protein and genome determine the structure of the virus. For example, the Pariacoto virus ssRNA genome assembles into a dodecahedron. Virus-inspired nanotechnology has progressed remarkably due to the unique structural and functional properties of viruses, which can inspire the design of novel nanomaterials. RNA is a programmable biopolymer able to self-assemble sophisticated 3D structures with rich functionalities. RNA dodecahedrons mimicking the Pariacoto virus quasi-icosahedral genome structures were constructed from both native and 2'-F modified RNA oligos. The RNA dodecahedron easily self-assembled using the stable pRNA three-way junction of bacteriophage phi29 as building blocks. The RNA dodecahedron cage was further characterized by cryo-electron microscopy and atomic force microscopy, confirming the spontaneous and homogenous formation of the RNA cage. The reported RNA dodecahedron cage will likely provide further studies on the mechanisms of interaction of the capsid protein with the viral genome while providing a template for further construction of the viral RNA scaffold to add capsid proteins for the assembly of the viral nucleocapsid as a model. Understanding the self-assembly and RNA folding of this RNA cage may offer new insights into the 3D organization of viral RNA genomes. Finally, the reported RNA cage also has the potential to be explored as a novel virus-inspired nanocarrier.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Microenvironment rigidity modulates responses to the HER2 receptor tyrosine kinase inhibitor lapatinib via YAP and TAZ transcription factors

Stiffness is a biophysical property of the extracellular matrix that modulates cellular functions, including proliferation, invasion, and differentiation, and it also may affect therapeutic responses. Therapeutic durability in cancer treatments remains a problem for both chemotherapies and pathway-targeted drugs, but the reasons for this are not well understood. Tumor progression is accompanied by changes in the biophysical properties of the tissue, and we asked whether matrix rigidity modulated the sensitive versus resistant states in HER2-amplified breast cancer cell responses to the HER2-targeted kinase inhibitor lapatinib. The antiproliferative effect of lapatinib was inversely proportional to the elastic modulus of the adhesive substrata. Down-regulation of the mechanosensitive transcription coactivators YAP and TAZ, either by siRNA or with the small-molecule YAP/TEAD inhibitor verteporfin, eliminated modulus-dependent lapatinib resistance. Reduction of YAP in vivo in mice also slowed the growth of implanted HER2-amplified tumors, showing a trend of increasing sensitivity to lapatinib as YAP decreased. Thus we address the role of stiffness in resistance to and efficacy of a HER2 pathway–targeted therapeutic via the mechanotransduction arm of the Hippo pathway.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Hydrogen-Bonded Organic Frameworks: A Rising Class of Porous Molecular Materials

Hydrogen-bonded organic frameworks (HOFs) are a class of porous molecular materials that rely on the assembly of organic building blocks by means of hydrogen-bonding interactions to form two-dimensional (2D) and three-dimensional (3D) crystalline networks. The reversible nature of the hydrogen-bond formation endows HOFs with the attributes of solution processability and simple regeneration. High-quality single crystals of HOFs can be grown easily for unambiguous superstructure determination by single-crystal X-ray diffraction, which is crucial for the elucidation of superstructure–property relationships. During the past decade, considerable progress has been achieved in realizing stable HOFs with permanent porosities by focusing on the design of molecular building blocks in order to introduce rigidity, auxiliary [π···π] interactions, and interpenetration of their frameworks to sustain the extended networks. The applications of HOFs are far-reaching, spanning catalysis, energy, and biomedical products as well as the storage and separation of fine chemicals. In this paper, we, first of all, provide an overview of the chronological development of HOFs, starting from the seminal work by Marsh and Duchamp in 1969 on the crystal superstructure of the hydrogen-bonded networks of trimesic acid. We identify the development of novel hydrogen-bonding motifs such as diaminotriazine (DTA), the introduction of the concept of molecular tectonics, and the establishment of permanent porosity in HOFs as being some of the milestones, which incentivized the current burgeoning research endeavors on developing HOFs as multifunctional materials. This Account is focused primarily on surveying the strategies for constructing porous 3D HOFs based on organic building blocks with peripheral carboxyl groups. These strategies are presented in the following categories: (1) the polycatenation of 2D networks by trigonal building blocks to form global 3D frameworks, (2) the utilization of building blocks with 3D geometries—tetrahedral and trigonal prismatic—that are predisposed to form 3D networks, and (3) the docking by shape-fitting of geometrically labile building blocks. We emphasize how the molecular geometry of the building blocks plays an important role in modulating the superstructures of extended frameworks so as to address specific applications. Recognizing that the in silico design of HOFs is the ultimate goal of researchers in this field, we also discuss the recent advances in superstructure prediction that lead to the formation of porous supramolecular crystals and assess the complications in implementing computational methods for HOFs with complex superstructures. We hope this Account will inspire the development of new supramolecular designs and creative approaches to crystal engineering that aid and abet the assembly of multifunctional HOFs with customizable properties.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Progress in SiC/SiC Ceramic Composite Development for Gas Turbine Hot-Section Components under NASA EPM and UEET Programs

The successful application of ceramic matrix composites as hot-section components in advanced gas turbine engines will require the development of constituent materials and processes that can provide the material systems with the key thermostructural properties required for long-term component service. Much initial progress in identifying these materials and processes was made under the former NASA Enabling Propulsion Materials Program using stoichiometric Sylramic (trademark) silicon-carbide (SiC) fibers, 2D (two dimensional)-woven fiber architectures, chemically vapor-infiltrated (CVI) BN fiber coatings (interphases), and SiC-based matrices containing CVI SiC interphase over-coatings, slurry-infiltrated SiC particulate, and melt-infiltrated (MI) silicon. The objective of this paper is to discuss the property benefits of this SiC/SiC composite system for high-temperature engine components and to elaborate on further progress in SiC/SiC development made under the new NASA Ultra Efficient Engine Technology Program. This progress stems from the recent development of advanced constituent materials and manufacturing processes, including specific treatments at NASA that improve the creep, rupture, and environmental resistance of the Sylramic fiber as well as the thermal conductivity and creep resistance of the CVI SiC over-coatings. Also discussed are recent observations concerning the detrimental effects of inadvertent carbon in the fiber-BN interfacial region and the beneficial effects of certain 2D-architectures for thin-walled SiC/SiC panels.

DiCarlo, J. A.↗
DOE OSTI2024

Autonomous Output‐Oriented Aerosol Jet Printing Enabled by Hybrid Machine Learning

Additive manufacturing (AM) is rapidly revolutionizing modern manufacturing with recent progress in advanced printing methods and improved properties of printed materials. However, traditional AM methods are limited by their input‐oriented nature, which demands tedious trial‐and‐error tuning of printing parameters to achieve desired output properties. Here, in this work, an output‐oriented artificial intelligence‐integrated AM (AIAM) method is reported that enables an user to specify desired output properties while the printer autonomously discovers the optimal input printing parameters by integrating hybrid machine learning models and in situ measurements. Based on a predictive mapping between the input printing parameters and the output properties of interests established with <20 experiments designed by active learning, inverse design tasks are performed to intelligently generate the printing parameter settings that lead to desired outcomes using reinforcement learning. This method is demonstrated by autonomous aerosol jet printing (AJP) of conductive polymer films and achieving user‐defined electrical resistances with an ultralow error of 3.7%. The AIAM method, with its output‐oriented nature, holds the potential to significantly improve the autonomy, predictability, efficiency, and accessibility of the AM processes, which will unlock new possibilities in the autonomous and intelligent printing of a broad range of functional materials and devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ionic Liquid Facilitated Solvent‐Phase Polymerization of Ultrasmooth Coatings of Polycatecholamines

Mussel-inspired polycatecholamine coatings and films have proven to be versatile materials for surface modification. However, the progress of chemically modified coatings with tailored properties has been slow due to the lack of definitive evidence of their polymeric structure. Polycatecholamines form aggregates during polymerization, and their formation mechanism has been a subject of debate owing to their insolubility in traditional molecular solvents. Exploiting the capability of ionic liquids (ILs) to exhibit strong electrostatic interactions, herein, the first solution-phase polymerization approach is reported to achieve polymerization of four catecholamines – dopamine (DA), norepinephrine (NE), L-3,4-dihydroxyphenylalanine (L-DOPA), and adrenaline (AD). Kinetic control over the polymerization process in the solution phase enabled it to follow the process with 1 H NMR spectroscopy, revealing the formation of structural features of resulting complex heterogeneous and soluble polymers. The polymers are both covalent and associative in nature. Solution phase polymerization prevented the formation of large aggregates in the solution, thus facilitating the formation of coatings that are ultra-smooth and have root mean square roughness of the order of sub-nm to nm scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Photovoltaic Devices Based on Colloidal PbX Quantum Dots: Progress and Prospects

Here, a certified power conversion efficiency (PCE) of 12.0% and an outstanding air stability has been achieved for PbX quantum dots (QDs) solar cells, indicating strong potential for next generation low-cost solution-processed photovoltaics. Similar progress has been made in several other solar cell architectures employing PbX QD absorbers. This article aims to review the recent progress in understanding the photovoltaic-relevant properties of PbX QDs and highlight their application in various types of photovoltaic devices. In doing so, we hope that the unique properties of PbX QDs can be better understood in a broader context, and their potential can be fully realized with the aiding of other photovoltaic materials and novel device structures.

14 SOLAR ENERGY↗
DOE OSTI2020

Functionalized separator for next-generation batteries

Advancements in battery technology have dramatically increased demand for improvements in separator design, as the separator plays a critical role in ensuring the safety and electrochemical performance of the cells. Current separators, either in commercial usage or under investigation, have yet to meet the high stability and lifespan performance standards necessary to prevent deterioration in the efficiency and reliability of the battery technologies. Recently, considerable effort has been devoted to developing functionalized separators, ranging from designing a variety of new materials and modification methods, and increasingly, to optimizing advanced preparation processes. In order to understand how the mechanisms of separator performance are affected by different properties, we will first summarize recent research progress and then have in-depth discussions regarding the separator's significant contribution to enhancing the safety and performance of the cell. Additionally, we then provide our design strategy for future separators, which not only meets the requirements of different type of batteries, but also aims for multifunctionality. We hope such a perspective could provide new inspiration in the development of separator research for future battery technologies.

25 ENERGY STORAGE↗
DOE OSTI2018

Ligand induced shape transformation of thorium dioxide nanocrystals

Nanocrystals (NCs) with size and shape dependent properties are a thriving research field. Significant progress has been made in the controlled synthesis of NCs of stable elements in the past two decades; however, the knowledge of the NCs of actinide compounds has been considerably limited due the difficulties in handling them both experimentally and theoretically. Actinide compounds, especially actinide oxides, play a critical role in many stages of the nuclear fuel cycle. Recently, a non-aqueous surfactant assisted approach has been developed for the synthesis of actinide oxide NCs with different morphologies, but an understanding of its control factors is still missing to date. Herein we present a comprehensive study on the low index surfaces of thorium dioxide (ThO 2 ) and their interactions with relevant surfactant ligands using density functional calculations. A systematic picture on the thermodynamic stability of ThO 2 NCs of different sizes and shapes is obtained employing empirical models based on the calculated surface energies. It is found that bare ThO 2 NCs prefer the octahedral shape terminated by (111) surfaces. Oleic acid displays selective adsorption on the (110) surface, leading to the shape transformation from octahedrons to nanorods. Other ligands such as acetylacetone, oleylamine, and trioctylphosphine oxide do not modify the equilibrium shape of ThO 2 NCs. This research provides atomic level insights into the anisotropic growth of ThO2 NCs that was recently observed in experiments, and thus may contribute to the controlled synthesis of actinide oxide NCs with well-defined size and shape for future applications.

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

One-dimensional edge contact to encapsulated MoS 2 with a superconductor

Establishing ohmic contact to van der Waals semiconductors such as MoS 2 is crucial to unlocking their full potential in next-generation electronic devices. Encapsulation of few layer MoS 2 with hBN preserves the material’s electronic properties but makes electrical contacts more challenging. Progress toward high quality edge contact to encapsulated MoS 2 has been recently reported. Here, we evaluate a contact methodology using sputtered MoRe, a type II superconductor with a relatively high critical field and temperature commonly used to induce superconductivity in graphene. We find that the contact transparency is poor and that the devices do not support a measurable supercurrent down to 3 K, which has ramifications for future fabrication recipes.

2D materials↗
DOE OSTI2014

Magnetism in icosahedral quasicrystals: current status and open questions

Progress in our understanding of the magnetic properties of R-containing icosahedral quasicrystals (R = rare earth element) from over 20 years of experimental effort is reviewed. This includes the much studied R-Mg-Zn and R-Mg-Cd ternary systems, as well as several magnetic quasicrystals that have been discovered and investigated more recently including Sc-Fe-Zn, R-Ag-In, Yb-Au-Al, the recently synthesized R-Cd binary quasicrystals, and their periodic approximants. In many ways, the magnetic properties among these quasicrystals are very similar. However, differences are observed that suggest new experiments and promising directions for future research.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Small Bragg-plane slope errors revealed in synthetic diamond crystals

Wavefront-preserving X-ray diamond crystal optics are essential for numerous applications in X-ray science. Perfect crystals with flat Bragg planes are a prerequisite for wavefront preservation in Bragg diffraction. However, this condition is difficult to realize in practice because of inevitable crystal imperfections. Here, X-ray rocking curve imaging is used to study the smallest achievable Bragg-plane slope errors in the best presently available synthetic diamond crystals and how they compare with those of perfect silicon crystals. It is shown that the smallest specific slope errors in the best diamond crystals are about 0.08 (3) µrad mm -2 . These errors are only 50% larger than the 0.05 (2) µrad mm -2 specific slope errors measured in perfect silicon crystals. High-temperature annealing at 1450°C of almost flawless diamond crystals reduces the slope errors very close to those of silicon. Further investigations are in progress to establish the wavefront-preservation properties of these crystals.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Sandia Generated Matrix Tool (SGMT) v. 1.0

Provides a tool with which create and characterize a very large set of matrix-based visual analogy problems that have properties that are similar to Raven's Progressive Matrices (RPMs)™. The software uses the same underlying patterns found in RPMs to generate large numbers of unique matrix problems using parameters chosen by the researcher. Specifically, the software is designed so that researchers can choose the type, direction, and number of relations in a problem and then create any number of unique matrices that share the same underlying structure (e.g. changes in numerosity in a diagonal pattern) but have different surface features (e.g. shapes, colors).Raven's Progressive Matrices (RPMs) ™ are a widely-used test for assessing intelligence and reasoning ability. Since the test is non-verbal, it can be applied to many different populations and has been used all over the world. However, there are relatively few matrices in the sets developed by Raven, which limits their use in experiments requiring large numbers of stimuli. This tool creates a matrix set in a systematic way that allows researchers to have a great deal of control over the underlying structure, surface features, and difficulty of the matrix problems while providing a large set of novel matrices with which to conduct experiments.

Benz, Zachary↗
DOE OSTI2020

Analysis of the thermodynamic stability of ThO 2 and UO 2 surfaces in the presence of surfactant ligands

Nanocrystals (NCs) with size and shape dependent properties are a thriving research field. Remarkable progress has been made in the controlled synthesis of NCs of stable elements in the past two decades; however, the knowledge of the NCs of actinide compounds has been considerably limited due the difficulties in handling them both experimentally and theoretically. Actinide compounds, especially actinide oxides, play a critical role in many stages of the nuclear fuel cycle. Recently, a non-aqueous surfactant assisted approach has been developed for the synthesis of actinide oxide NCs with different morphologies, but an understanding of its control factors is still missing to date. Herein we present a comprehensive study on the low index surfaces of thorium dioxide (ThO 2 ) and their interactions with relevant surfactant ligands using density functional calculations. A systematic picture on the thermodynamic stability of ThO 2 NCs of different sizes and shapes is obtained employing empirical models based on the calculated surface energies. It is found that bare ThO 2 NCs prefer the octahedral shape terminated by (111) surfaces. Oleic acid displays selective adsorption on the (110) surface, leading to the shape transformation from octahedrons to nanorods. Other ligands such as acetylacetone, oleylamine, and trioctylphosphine oxide do not modify the equilibrium shape of ThO 2 NCs. This work provides atomic level insights into the anisotropic growth of ThO 2 NCs that was recently observed in experiments, and thus may contribute to the controlled synthesis of actinide oxide NCs with well-defined size and shape for future applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗