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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Crystal Structure of the N-Terminal Half of the Traffic Controller UL37 from Herpes Simplex Virus 1

Inner tegument protein UL37 is conserved among all three subfamilies of herpesviruses. Studies of UL37 homologs from two alphaherpesviruses, herpes simplex virus 1 (HSV-1) and pseudorabies virus (PRV), have suggested that UL37 plays an essential albeit poorly defined role in intracellular capsid trafficking. At the same time, HSV and PRV homologs cannot be swapped, which suggests that in addition to a conserved function, UL37 homologs also have divergent virus-specific functions. Accurate dissection of UL37 functions requires detailed maps in the form of atomic-resolution structures. Previously, we reported the crystal structure of the N-terminal half of UL37 (UL37N) from PRV. Here, we report the crystal structure of HSV-1 UL37N. Comparison of the two structures reveals that UL37 homologs differ in their overall shapes, distributions of surface charges, and locations of projecting loops. In contrast, the previously identified R2 surface region is structurally conserved. We propose that within the N-terminal half of UL37, functional conservation is centered within the R2 surface region, whereas divergent structural elements pinpoint regions mediating virus-specific functions and may engage different binding partners. Together, the two structures can now serve as templates for a structure-guided exploration of both conserved and virus-specific functions of UL37. IMPORTANCE The ability to move efficiently within host cell cytoplasm is essential for replication in all viruses. It is especially important in the neuroinvasive alphaherpesviruses, such as human herpes simplex virus 1 (HSV-1), HSV-2, and veterinarian pseudorabies virus (PRV), that infect the peripheral nervous system and have to travel long distances along axons. Capsid movement in these viruses is controlled by capsid-associated tegument proteins, yet their specific roles have not yet been defined. Systematic exploration of the roles of tegument proteins in capsid trafficking requires detailed navigational charts in the form of their three-dimensional structures. Here, we determined the crystal structure of the N-terminal half of a conserved tegument protein, UL37, from HSV-1. This structure, along with our previously reported structure of the UL37 homolog from PRV, provides a much needed 3-dimensional template for the dissection of both conserved and virus-specific functions of UL37 in intracellular capsid trafficking.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Tuning the electronic properties at the surface of BaBiO{sub 3} thin films

The presence of 2D electron gases at surfaces or interfaces in oxide thin films remains a hot topic in condensed matter physics. In particular, BaBiO{sub 3} appears as a very interesting system as it was theoretically proposed that its (001) surface should become metallic if a Bi-termination is achieved (Vildosola et al., PRL 110, 206805 (2013)). Here we report on the preparation by pulsed laser deposition and characterization of BaBiO{sub 3} thin films on silicon. We show that the texture of the films can be tuned by controlling the growth conditions, being possible to stabilize strongly (100)-textured films. We find significant differences on the spectroscopic and transport properties between (100)-textured and non-textured films. We rationalize these experimental results by performing first principles calculations, which indicate the existence of electron doping at the (100) surface. This stabilizes Bi ions in a 3+ state, shortens Bi-O bonds and reduces the electronic band gap, increasing the surface conductivity. Our results emphasize the importance of surface effects on the electronic properties of perovskites, and provide strategies to design novel oxide heterostructures with potential interface-related 2D electron gases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Improving fatigue performance of additively manufactured Ti-6Al-4V using sulfur-based self-terminating etching processes

The adoption of Additively Manufactured (AM) Ti-6Al-4V (Ti64) is continually increasing in the industry due to its benefits over the conventional manufacturing techniques. However, AM Ti64 parts are prone to poor surface finish, which significantly affects their fatigue performance. Therefore, AM Ti64 parts need post-processing to enhance surface finish and fatigue performance. Prior work with a sulfur-based self-terminating etching process for AM Ti64 demonstrated support removal and surface roughness reduction. To further this work, this manuscript details the impact of this sulfur-based post-processing technique on the mechanical properties and the fatigue life of AM Ti64 by characterizing the surface roughness, microstructural evolution, and fracture surfaces. Finally, this post-processing technique decreased the surface roughness parameter - S v by 55 % from 84 ± 11 µm to 38 ± 19 µm and increased the average fatigue life by 340 % from about 7000 cycles to 30,000 cycles.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Atomic structure and grain shape evolution of nanodiamond during annealing in oxidizing atmosphere from neutron diffraction and MD simulations

In this work, real space pair-distribution function (PDF) analysis in conjunction with molecular dynamics (MD) simulations was applied to characterize crystal structure, shape and surface structure of diamond nanoparticles annealed in air up to 880 °C. MD simulated models of individual nanodiamond particles of various shapes and sizes were used to calculate theoretical radial distribution functions G(r) for powders with different grain size distributions. The calculated curves, showing distinct differences for the explored parameter space, were compared to the experimental G(r) functions obtained from neutron scattering for annealed detonated nanodiamond samples in a search for a model best describing the actual powders. It was found that as-synthesized nanodiamond grains are terminated by equally abundant (100), (110) and (111) crystallographic faces and their structure does not change upon annealing in air up to 280 °C. The shape and size of grains annealed above 480 °C changes due to surface etching. The etching rate differs between crystals faces and depends on temperature, resulting in the observed differences in grain shape. Below 680 °C the share of the (110) facets gradually increases and at 680 °C the grains become rhombic dodecahedra terminated solely by (110) surfaces. Further increase of the annealing temperature promotes formation of (111) surfaces and at 880 °C the preferred grain shape becomes an octahedron terminated by a variant of (111) surfaces possessing three dangling sp3 bonds per atom. At lower temperatures all grains become smaller and the size distribution moves towards the lower values. Furthermore, as the annealing temperature increases, the smallest grains disappear entirely and the average grain size grows back.

36 MATERIALS SCIENCE↗
DOE OSTI2023

First-Principles Study of n -Butane Monomolecular Cracking and Dehydrogenation on Two-Dimensional-Zeolite Model Systems: Reaction Mechanisms and Effects of Spatial Confinement

Two-dimensional (2D) ultrathin (~0.5 nm) aluminosilicate bilayer films, consisting of hexagonal prisms (a.k.a. double 6-membered rings D6R) with acidic bridging hydroxyl groups exposed on the surface, have been previously synthesized on a Ru(0001) surface as a zeolite model system. These structures are helpful for mimicking zeolite catalysts with D6R building blocks, such as chabazite. We performed density functional theory calculations to investigate the monomolecular cracking and dehydrogenation of n-butane molecules over the acidic hydroxyl groups of the 2D model system and compared the reaction energetics with that in bulk chabazite. The intrinsic activation energy barrier is the highest for dehydrogenation and lowest for central C–C bond cracking in bulk chabazite. The trend of intrinsic energy barriers for dehydrogenation and terminal and central C–C bond cracking is reproduced on the 2D aluminosilicate film. Overall, the activation barriers are higher on the 2D film than in bulk chabazite due to the lack of confinement in the former. We further explored the effects of the zeolite channel size on the n-butane adsorption and monomolecular cracking using different bulk nanoporous zeolite frameworks (TON, MEL, MEI, and VFI). We found that as the confinement of channels decreases, n-butane adsorption becomes weaker, and the intrinsic energy barrier of terminal C–C cracking increases. The activation energy barriers (dehydrogenation and terminal and central C–C cracking) on the 2D bilayer film surface, which may be considered as zeolite cages at the infinite cage size limit, are close to that in VFI with a relatively large channel size. Comparing the reaction pathway of n-butane terminal C–C cracking in 3D nanocages and on the surface of the 2D aluminosilicate film revealed that stabilizing the transition states in the 3D nanocages is responsible for the decrease in the intrinsic energy barriers for bulk zeolites.

36 MATERIALS SCIENCE↗
NASA NTRS2015

The Effect of Surface Chemical Functionality Upon Ice Adhesion

In nature, anti-freeze proteins present in fish utilize specific organic functionalities to disrupt ice crystal formation and propagation. Based on these structures, surfaces with controlled chemical functionality and chain length were evaluated both experimentally and computationally to assess the effect of both parameters in mitigating ice formation. Linear aliphatic dimethylethoxysilanes terminated with methyl or hydroxyl groups were prepared, characterized, and used to coat aluminum. The effect upon icing using a microdroplet freezing apparatus and the Adverse Environment Rotor Test Stand found hydroxyl-terminated materials exhibited a greater propensity for ice formation and adhesion. Molecular dynamics simulations of a silica substrate bearing functionalized species of similar composition were brought into contact with a pre-equilibrated ice crystal. Several parameters including chain mobility were monitored to ascertain the size of a quasi-liquid layer. The studies suggested that chain mobility affected the interface between ice and the surface more than terminal group chemical composition.

Smith, Joseph G., Jr.↗
NASA NTRS2012

Implementing the Mars Science Laboratory Terminal Descent Sensor Field Test Campaign

The Mars Science Laboratory (MSL) will deliver a 900 kg rover to the surface of Mars in August 2012. MSL will utilize a new pulse-Doppler landing radar, the Terminal Descent Sensor (TDS). The TDS employs six narrow-beam antennas to provide unprecedented slant range and velocity performance at Mars to enable soft touchdown of the MSL rover using a unique sky crane Entry, De-scent, and Landing (EDL) technique. Prior to use on MSL, the TDS was put through a rigorous verification and validation (V&V) process. A key element of this V&V was operating the TDS over a series of field tests, using flight-like profiles expected during the descent and landing of MSL over Mars-like terrain on Earth. Limits of TDS performance were characterized with additional testing meant to stress operational modes outside of the expected EDL flight profiles. The flight envelope over which the TDS must operate on Mars encompasses such a large range of altitudes and velocities that a variety of venues were neces-sary to cover the test space. These venues included an F/A-18 high performance aircraft, a Eurocopter AS350 AStar helicopter and 100-meter tall Echo Towers at the China Lake Naval Air Warfare Center. Testing was carried out over a five year period from July 2006 to June 2011. TDS performance was shown, in gen-eral, to be excellent over all venues. This paper describes the planning, design, and implementation of the field test campaign plus results and lessons learned.

Mars Science Laboratory (MSL)↗
NASA NTRS2021

Analysis of Impacts of Terminal Restrictions on Departures in D10 TRACON

The D10 – Dallas-Fort Worth Terminal Radar Approach CONtrol (TRACON) is an air traffic facility that controls and manages aircraft and airspace that consists of multiple airports located in the North Texas area. From an air traffic management standpoint, one of the main challenges in the D10 TRACON is the departure fix capacity as multiple airports compete for resources. This problem is magnified when en route demand/capacity imbalance and inclement weather around the TRACON reduce the capacity at the terminal fixes. This leads to multiple, dynamic Traffic Management Initiative (TMI) restrictions being issued by the Air Traffic Control (ATC) on departing flights. This, in turn, propagates delay to the surface of each airport within the metroplex. The NASA Airspace Technology Demonstration 2 (ATD-2) Phase 3 is deployed in D10 to demonstrate new technologies developed to manage the Integrated Arrival, Departure, and Surface (IADS) traffic in a metroplex environment where multiple airports are interacting and sharing resources at the terminal boundary. This paper uses the ATD-2 terminal restriction data collected in the D10 TRACON to quantify the impact of restrictions on the demand, analyze the relation between terminal restrictions and departure taxi time on airport surface, and establish relationships between restrictions and surface delay. We found that the restrictions on departure flights have a direct adverse effect on departure excess taxi time on the airport surface.

ATD-2↗
NASA NTRS2021

Analysis of Impacts of Terminal Restrictions on Departures in D10 TRACON

The D10 – Dallas-Fort Worth Terminal Radar Approach CONtrol (TRACON) is an air traffic facility that controls and manages aircraft and airspace that consists of multiple airports located in the North Texas area. From an air traffic management standpoint, one of the main challenges in the D10 TRACON is the departure fix capacity as multiple airports compete for resources. This problem is magnified when en route demand/capacity imbalance and inclement weather around the TRACON reduce the capacity at the terminal fixes. This leads to multiple, dynamic Traffic Management Initiative (TMI) restrictions being issued by the Air Traffic Control (ATC) on departing flights. This, in turn, propagates delay to the surface of each airport within the metroplex. The NASA Airspace Technology Demonstration 2 (ATD-2) Phase 3 is deployed in D10 to demonstrate new technologies developed to manage the Integrated Arrival, Departure, and Surface (IADS) traffic in a metroplex environment where multiple airports are interacting and sharing resources at the terminal boundary. This paper uses the ATD-2 terminal restriction data collected in the D10 TRACON to quantify the impact of restrictions on the demand, analyze the relation between terminal restrictions and departure taxi time on airport surface, and establish relationships between restrictions and surface delay. We found that the restrictions on departure flights have a direct adverse effect on departure excess taxi time on the airport surface.

ATD-2↗
DOE OSTI2016

Asymmetric band gaps in a Rashba film system

The joint effect of exchange and Rashba spin-orbit interactions is examined on the surface and quantum well states of Ag 2 Bi -terminated Ag films grown on ferromagnetic Fe(110). The system displays a particular combination of time-reversal and translational symmetry breaking that strongly influences its electronic structure. Angle-resolved photoemission reveals asymmetric band-gap openings, due to spin-selective hybridization between Rashba-split surface states and exchange-split quantum well states. This results in an unequal number of states along positive and negative reciprocal space directions. We suggest that the peculiar asymmetry of the discovered electronic structure can have significant influence on spin-polarized transport properties.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Wraparound-contact solar cells

Positive and negative electrical contacts are on back surface of wraparound-contact solar cell. With both terminals on nonilluminated side, cells can be connected back-to-back, and interconnection of many cells can be automated by using printed-circuit techniques. Cells are made by screen-printing layer of dielectric around edge of cell and extending top contact over dielectric to back surface. Wraparound also facilitates application of transparent covers and encapsulants. Efficiencies of cells are in excess of seventeen percent.

Baraona, C. R.↗
NASA NTRS2014

Dependence of Lunar Surface Charging on Solar Wind Plasma Conditions and Solar Irradiation

The surface of the Moon is electrically charged by exposure to solar radiation on its dayside, as well as by the continuous flux of charged particles from the various plasma environments that surround it. An electric potential develops between the lunar surface and ambient plasma, which manifests itself in a near-surface plasma sheath with a scale height of order the Debye length. This study investigates surface charging on the lunar dayside and near-terminator regions in the solar wind, for which the dominant current sources are usually from the pohotoemission of electrons, J(sub p), and the collection of plasma electrons J(sub e) and ions J(sub i). These currents are dependent on the following six parameters: plasma concentration n(sub 0), electron temperature T(sub e), ion temperature T(sub i), bulk flow velocity V, photoemission current at normal incidence J(sub P0), and photo electron temperature T(sub p). Using a numerical model, derived from a set of eleven basic assumptions, the influence of these six parameters on surface charging - characterized by the equilibrium surface potential, Debye length, and surface electric field - is investigated as a function of solar zenith angle. Overall, T(sub e) is the most important parameter, especially near the terminator, while J(sub P0) and T(sub p) dominate over most of the dayside.

Photoemission↗
DOE OSTI2015

Wire surface defect tester

The CRADA between JLab and Sandvik Palm Coast terminated on Oct. 1 2015. Here is the final report.

Mestayer, Mac↗
NASA NTRS1976

Electrostatic disruption of lunar dust particles

The possibility that dust particles might explode catastrophically on the lunar surface due to electrostatic charging is examined. For the dark side along the terminator zone, dust balls and compact stony particles of micron and submicron sizes will be blown up if their surface potential is as low as a kilovolt negative. This mechanism does not operate on the sunlit side because the surface potential is only 3.5-20 volts positive.

Rhee, J. W.↗
DOE OSTI2018

Continuity conditions for tensor product Q-Bézier surfaces of degree (m, n)

Based on a kind of Q-Bézier surfaces with shape parameters, the basic properties of the surfaces and the geometric significance of the shape parameters are analyzed. To resolve the problem of shape control and adjustment of composite surfaces, the continuity conditions for Q-Bézier surfaces of degree (m, n) are investigated. Taking advantage of the terminal properties of generalized Bernstein basis functions, we derive the conditions of G{sup 1} and G{sup 2} continuity between two adjacent Q-Bézier surfaces. In addition, the specific steps of smooth continuity between Q-Bézier surfaces and the shape adjustment function of shape parameters for composite surfaces are discussed. The modeling examples show that the proposed smooth continuity conditions are not only intuitive and easy to implement, but also greatly enhance the shape adjustability, which provide a useful method for constructing complex surfaces in engineering design.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Magic Diamond: Covalent Bond Formation of Melamine and Other Amines on Nanodiamond Surfaces

High-temperature, high-pressure (HPHT) nanodiamond (ND) hosts nitrogen-vacancy (NV) centers, solid-state qubits that enable room-temperature quantum sensing by all-optical magnetometry, electrometry, and thermometry. However, the covalent surface functionalization of nanoscale diamond remains largely limited to carboxylate-based chemistries. Amine termination is particularly attractive because theoretical studies predict suppression of midgap states and extended electron-spin coherence times. Recently, chemical activation of alcohol-terminated NDs to alkyl bromides (ND-Br) using SOBr2 has enabled nucleophilic substitution through a carbocation intermediate, allowing formation of simple amine terminations. Here, we evaluate whether sterically demanding amines can form covalent diamond−nitrogen bonds on ND-Br surfaces. ND-Br was reacted with branched, linear, and cyclic amines, including polyethylenimine, diethylenetriamine, and melamine. X-ray spectroscopies were used to confirm successful and to probe the resulting electronic structure at the diamond−amine interface. These results expand the chemical toolbox for tuning diamond surface dipoles and electron affinity, providing new pathways for engineering nanodiamond surfaces for quantum sensing and photocatalysis applications.

Amines↗
DOE OSTI2019

Design and synthesis of highly active MoVTeNb-oxides for ethane oxidative dehydrogenation

Ethane oxidative dehydrogenation (ODH) is an alternative route for ethene production. Crystalline M1 phase of Mo-V mixed metal oxide is an excellent catalyst for this reaction. Here we show a hydrothermal synthesis method that generates M1 phases with high surface areas starting from poorly soluble metal oxides. Use of organic additives allows control of the concentration of metals in aqueous suspension. Reactions leading to crystalline M1 take place at 190 °C, i.e., approximately 400 °C lower than under current synthesis conditions. The evolution of solvated polyoxometalate ions and crystalline phases in the solid is monitored by spectroscopies. Catalysts prepared by this route show higher ODH activity compared to conventionally prepared catalysts. The higher activity is due not only to the high specific surface area but also to the corrugated lateral termination of the M1 crystals, as seen by atomic resolution electron microscopy, exposing a high concentration of catalytically active sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗