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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Role of the flocculus of the cerebellum in motor learning of the vestibulo-ocular reflex

Structure-function studies at the systems level are an effective method for understanding the relationship of the central nervous system to behavior. Motor learning or adaptation of the vestibulo-ocular reflex is a clear example wherein this approach has been productive. During a vestibulo-ocular reflex the brain converts a head velocity signal, transduced through the vestibular semicircular canals, into an eye movement command delivered to the extraocular muscles. If the viewed target remains on the fovea of the retina, the reflex is compensatory, and its gain, eye velocity/head velocity, is one. When the image of the viewed object slips across the retina, visual acuity decreases, and the gain of the reflex, which is no longer one, is plastically adapted or adjusted until retinal stability is restored. The anatomic substrate for this plasticity thus involves brain structures in which visual-vestibular interaction can potentially occur, as well as vestibular and visual sensory and oculomotor motor structures. Further, it has been known for many years that removal of the flocculus of the cerebellum permanently precludes further vestibulo-ocular reflex adaptation, demonstrating the involvement of the cerebellum in this behavior. Maekawa and Simpson (J Neurophysiol 1973;36: 649-66) discovered that one visual input to the flocculus involved the accessory optic system and the inferior olive. Ensuing work has demonstrated that the visual signals used to adapt the vestibulo-ocular reflex are transmitted by this accessory optic system to the flocculus and subsequently to brain stem structures involved in vestibulo-ocular reflex plasticity. Presently the inclusive list of anatomic sites involved in vestibulo-ocular reflex circuitry and its adaptive plasticity is small. Our laboratory continues to believe that this behavior should be caused by interactions within this small class of neurons. By studying each class of identified neuron and its interactions with others within the list, we hope to ultimately understand the mechanisms used by the brain in the expression of this behavior.

Non-NASA Center↗
DOE OSTI2011

Tape-Drive Based Plasma Mirror

We present experimental results on a tape-drive based plasma mirror which could be used for a compact coupling of a laser beam into a staged laser driven electron accelerator. This novel kind of plasma mirror is suitable for high repetition rates and for high number of laser shots. In order to design a compact, staged laser plasma based accelerator or collider [1], the coupling of the laser beam into the different stages represents one of the key issues. To limit the spatial foot print and thus to realize a high overall acceleration gradient, a concept has to be found which realizes this in-coupling within a few centimeters (cf. Fig 1). The fluence of the laser pulse several centimeters away from the acceleration stage (focus) exceeds the damage threshold of any available mirror coating. Therefore, in reference [2] a plasma mirror was suggested for this purpose. We present experiments on a tape-drive based plasma mirror which could be used to reflect the focused laser beam into the acceleration stage. Plasma mirrors composed of antireflection coated glass substrates are usually used to improve the temporal laser contrast of laser pulses by several orders of magnitudes [3,4]. This is particularly important for laser interaction with solid matter, such as ion acceleration [5,6] and high harmonic generation on surfaces [7]. Therefore, the laser pulse is weekly focused onto a substrate. The main pulse generates a plasma and is reflected at the critical surface, whereas the low intensity pre-pulse (mainly the Amplified Spontaneous Emission pedestal) will be transmitted through the substrate before the mirror has been triggered. Several publications [3,4] demonstrate a conservation of the spatial beam quality and a reflectivity of about 70 %. The drawback of this technique is the limited repetition rate since for every shot a fresh surface has to be provided. In the past years several novel approaches for high repetition rate plasma mirrors have been developed [2, 8]. Nevertheless, for the staged accelerator scheme a second important requirement has to be considered. Since the electron beam has to propagate through the mirror, the thickness of the substrate has to be as thin as possible to reduce the distortion of the electron beam. A tape of only several micrometer thickness can overcome these disadvantages. It can be used with a sufficient repetition rate while it allows the electron beam to propagate through with a minimum of scattering.

43 PARTICLE ACCELERATORS↗
DOE OSTI2011

The Crystal Structure of Streptococcus pyogenes Uridine Phosphorylase Reveals a Distinct Subfamily of Nucleoside Phosphorylases

Uridine phosphorylase (UP), a key enzyme in the pyrimidine salvage pathway, catalyzes the reversible phosphorolysis of uridine or 2'-deoxyuridine to uracil and ribose 1-phosphate or 2'-deoxyribose 1-phosphate. This enzyme belongs to the nucleoside phosphorylase I superfamily whose members show diverse specificity for nucleoside substrates. Phylogenetic analysis shows Streptococcus pyogenes uridine phosphorylase (SpUP) is found in a distinct branch of the pyrimidine subfamily of nucleoside phosphorylases. To further characterize SpUP, we determined the crystal structure in complex with the products, ribose 1-phosphate and uracil, at 1.8 {angstrom} resolution. Like Escherichia coli UP (EcUP), the biological unit of SpUP is a hexamer with an ?/? monomeric fold. A novel feature of the active site is the presence of His169, which structurally aligns with Arg168 of the EcUP structure. A second active site residue, Lys162, is not present in previously determined UP structures and interacts with O2 of uracil. Biochemical studies of wild-type SpUP showed that its substrate specificity is similar to that of EcUP, while EcUP is {approx}7-fold more efficient than SpUP. Biochemical studies of SpUP mutants showed that mutations of His169 reduced activity, while mutation of Lys162 abolished all activity, suggesting that the negative charge in the transition state resides mostly on uracil O2. This is in contrast to EcUP for which transition state stabilization occurs mostly at O4.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Wafer-scale remote epitaxy of III-V semiconductors and applications

In conventional epitaxy of single-crystalline semiconductor materials, it is challenging to separate the grown layer with the substrate due to the strong bonding at the interface. Remote epitaxy is a recently discovered method to grow single-crystalline thin films on graphene, wherein the grown film can be exfoliated at the graphene interface to form freestanding membranes. Here, we present our recent development on remote epitaxy of III-V semiconductors. We show that directly growing 2D materials on III-V substrates as a remote epitaxy template is an ideal pathway that can eliminate transfer process-related defects and can realize wafer-scale process of remote epitaxy and substrate reuse. We present the strategies to grow 2D materials on the surface of III-V materials, which is much more challenging than thermally robust substrates such as SiO2/Si or sapphire. The nucleation of III-V on 2D material-coated III-V platforms via remote interaction is investigated both experimentally and theoretically. Lastly, we show advanced remote epitaxial platforms and optoelectronic applications enabled by remote epitaxy, and the capability to recycle the III-V substrates for repeated remote epitaxy and production of freestanding III-V thin films.

Kim, Hyunseok↗
DOE OSTI2021

Wafer-scale remote epitaxy of III-V semiconductors and applications

In conventional epitaxy of single-crystalline semiconductor materials, it is challenging to separate the grown layer with the substrate due to the strong bonding at the interface. Remote epitaxy is a recently discovered method to grow single-crystalline thin films on graphene, wherein the grown film can be exfoliated at the graphene interface to form freestanding membranes. Here, we present our recent development on remote epitaxy of III-V semiconductors. We show that directly growing 2D materials on III-V substrates as a remote epitaxy template is an ideal pathway that can eliminate transfer process-related defects and can realize wafer-scale process of remote epitaxy and substrate reuse. We present the strategies to grow 2D materials on the surface of III-V materials, which is much more challenging than thermally robust substrates such as SiO2/Si or sapphire. The nucleation of III-V on 2D material-coated III-V platforms via remote interaction is investigated both experimentally and theoretically. Lastly, we show advanced remote epitaxial platforms and optoelectronic applications enabled by remote epitaxy, and the capability to recycle the III-V substrates for repeated remote epitaxy and production of freestanding III-V thin films.

Kim, Hyunseok↗
DOE OSTI2022

Pit rim decomposition into multiple quantum dots on surfaces of epitaxial thin films grown on pit-patterned substrates

Here, we report results of dynamical simulations according to an experimentally validated surface morphological evolution model on the formation of regular arrays of quantum dot molecules (QDMs) consisting of 1D arrays of smaller interacting quantum dots (QDs). These QD arrays form along the sides of each pit rim on the surface of a coherently strained thin film epitaxially deposited on a semiconductor substrate, the surface of which consists of a periodic pattern of inverted prismatic pits with rectangular pit openings. We find that this complex QDM pattern results from the decomposition of the pit rim from a “quantum fortress” with four elongated QDs into four 1D arrays of multiple smaller QDs arranged along each side of the pit rim. Systematic parametric analysis indicates that varying the pit opening dimensions and the pit wall inclination directly impacts the number of QDs in the resulting QDM pattern, while varying the pit depth only affects the dimensions of the QDs in the nanostructure pattern. Therefore, the number, arrangement, and sizes of QDs in the resulting pattern of QDMs on the film surface can be engineered precisely by proper tuning of the pit design parameters. Our simulation results are supported by predictions of morphological stability analysis, which explains the pit rim decomposition into multiple QDs as the outcome of a tip-splitting instability and provides a fundamental characterization of the post-instability nanostructure pattern. Our theoretical findings can play a vital role in designing optimal semiconductor surface patterns toward enabling future nanofabrication technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Directional locking effects for active matter particles coupled to a periodic substate

Directional locking occurs when a particle moving over a periodic substrate becomes constrained to travel along certain substrate symmetry directions. Such locking effects arise for colloids and superconducting vortices moving over ordered substrates when the direction of the external drive is varied. Here we study the directional locking of run-and-tumble active matter particles interacting with a periodic array of obstacles. In the absence of an external biasing force, we find that the active particle motion locks to various symmetry directions of the substrate when the run time between tumbles is large. The number of possible locking directions depends on the array density and on the relative sizes of the particles and the obstacles. For a square array of large obstacles, the active particle only locks to the x, y, and 45° directions, while for smaller obstacles, the number of locking angles increases. Each locking angle satisfies θ = arctan (p/q) , where p and q are integers, and the angle of motion can be measured using the ratio of the velocities or the velocity distributions in the x and y directions. When a biasing driving force is applied, the directional locking behavior is affected by the ratio of the self-propulsion force to the biasing force. For large biasing, the behavior resembles that found for directional locking in passive systems. For large obstacles under biased driving, a trapping behavior occurs that is nonmonotonic as a function of increasing run length or increasing self-propulsion force, and the trapping diminishes when the run length is sufficiently large.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Pyridine-containing substrate analogs are restricted from accessing the human cytochrome P450 8B1 active site by tryptophan 281

The human oxysterol 12α-hydroxylase cytochrome P450 8B1 (CYP8B1) is a validated drug target for both type 2 diabetes and nonalcoholic fatty liver disease, but effective selective inhibitors are not yet available. Herein, steroidal substrate-mimicking compounds with a pyridine ring appended to the C12 site of metabolism were designed as inhibitors, synthesized, and evaluated in terms of their functional and structural interactions with CYP8B1. While the pyridine nitrogen was intended to coordinate the CYP8B1 active site heme iron, none of these compounds elicited shifts in the CYP8B1 Soret absorbance consistent with this type of interaction. However, when CYP8B1 was cocrystallized with the pyridine-containing compound with the 3-keto-Δ4 steroid backbone most similar to the endogenous substrate, it was apparent that this ligand was bound in a channel leading to the active site, instead of near the heme iron. Inspection of this structure suggested that tryptophan 281 directly above the heme might restrict active site binding of potential inhibitors with this design. This hypothesis was supported when a CYP8B1 W281F mutation did allow all three compounds to coordinate the heme iron as designed. These results indicated that the design of next-generation CYP8B1 inhibitors should be compatible with the low-ceiling tryptophan immediately above the heme iron.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Linear relationship between water wetting behavior and microscopic interactions of super-hydrophilic surfaces

Using molecular dynamics simulations, we show a fine linear relationship between surface energies and microscopic Lennard-Jones parameters of super-hydrophilic surfaces. The linear slope of the super-hydrophilic surfaces is consistent with the linear slope of the super-hydrophobic, hydrophobic, and hydrophilic surfaces where stable water droplets can stand, indicating that there is a universal linear behavior of the surface energies with the water-surface van der Waals interaction that extends from the super-hydrophobic to super-hydrophilic surfaces. Moreover, we find that the linear relationship exists for various substrate types, and the linear slopes of these different types of substrates are dependent on the surface atom density, i.e., higher surface atom densities correspond to larger linear slopes. These results enrich our understanding of water behavior on solid surfaces, especially the water wetting behaviors on uncharged super-hydrophilic metal surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Spontaneous Inward Opening of the Dopamine Transporter Is Triggered by PIP 2 -Regulated Dynamics of the N-Terminus

We present the dynamic mechanism of concerted motions in a full-length molecular model of the human dopamine transporter (hDAT), a member of the neurotransmitter/sodium symporter (NSS) family, involved in state-to-state transitions underlying function. The findings result from an analysis of unbiased atomistic molecular dynamics simulation trajectories (totaling >14 μs) of the hDAT molecule immersed in lipid membrane environments with or without phosphatidylinositol 4,5-biphosphate (PIP2) lipids. The N-terminal region of hDAT (N-term) is shown to have an essential mechanistic role in correlated rearrangements of specific structural motifs relevant to state-to-state transitions in the hDAT. The mechanism involves PIP2-mediated electrostatic interactions between the N-term and the intracellular loops of the transporter molecule. Quantitative analyses of collective motions in the trajectories reveal that these interactions correlate with the inward-opening dynamics of hDAT and are allosterically coupled to the known functional sites of the transporter. The observed large-scale motions are enabled by specific reconfiguration of the network of ionic interactions at the intracellular end of the protein. The isomerization to the inward-facing state in hDAT is accompanied by concomitant movements in the extracellular vestibule and results in the release of an Na+ ion from the Na2 site and destabilization of the substrate dopamine in the primary substrate binding S1 site. The dynamic mechanism emerging from the findings highlights the involvement of the PIP2-regulated interactions between the N-term and the intracellular loop 4 in the functionally relevant conformational transitions that are also similar to those found to underlie state-to-state transitions in the leucine transporter (LeuT), a prototypical bacterial homologue of the NSS.

Biochemistry & Molecular Biology↗
DOE OSTI2016

The KYxxL motif in Rad17 protein is essential for the interaction with the 9–1–1 complex

ATR-dependent DNA damage checkpoint is the major DNA damage checkpoint against UV irradiation and DNA replication stress. The Rad17–RFC and Rad9–Rad1–Hus1 (9–1–1) complexes interact with each other to contribute to ATR signaling, however, the precise regulatory mechanism of the interaction has not been established. Here, we identified a conserved sequence motif, KYxxL, in the AAA+ domain of Rad17 protein, and demonstrated that this motif is essential for the interaction with the 9–1–1 complex. We also show that UV-induced Rad17 phosphorylation is increased in the Rad17 KYxxL mutants. These data indicate that the interaction with the 9–1–1 complex is not required for Rad17 protein to be an efficient substrate for the UV-induced phosphorylation. Our data also raise the possibility that the 9–1–1 complex plays a negative regulatory role in the Rad17 phosphorylation. We also show that the nucleotide-binding activity of Rad17 is required for its nuclear localization. - Highlights: • We have identified a conserved KYxxL motif in Rad17 protein. • The KYxxL motif is crucial for the interaction with the 9–1–1 complex. • The KYxxL motif is dispensable or inhibitory for UV-induced Rad17 phosphorylation. • Nucleotide binding of Rad17 is required for its nuclear localization.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Low-temperature study of array of dopant atoms on transport behaviors in silicon junctionless nanowire transistor

We demonstrate temperature-dependent quantum transport characteristics in silicon junctionless nanowire transistor fabricated on Silicon-on-Insulator substrate by the femtosecond laser lithography. Clear drain-current oscillations originated from dopant-induced quantum dots are observed in the initial stage of the conduction for the silicon nanowire channel at low temperatures. Arrhenius plot of the conductance indicates the transition temperature of 30 K from variable-range hopping to nearest-neighbor hopping, which can be well explained under Mott formalism. The transition of electron hopping behavior is the interplay result between the thermal activation and the Coulomb interaction.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Thermo-hydrologic processes in maar eruptions: The role of vapor transport and condensation

Phreatomagmatic eruptions occur when magma interacts directly with water or slurries, commonly from groundwater in the shallow crust, resulting in rapid conversion of thermal energy to mechanical energy in a set of processes known as molten fuel-coolant interaction (MFCI). The efficiency of MFCI is controlled by properties of the magma and coolant, contact surface geometry, and system conditions, such as pressure and temperature; phreatomagmatic behavior can range from passive thermal granulation to violent thermohydraulic explosions (Zimanowski et al., 2015). Maar-diatreme eruptions, characterized by repetitive phreatomagmatic explosions, can form in a wide range of near-surface environments, from soft sediment substrate (e.g., Tecuitlapa, Mexico, Ort and Carrasco-Núñez, 2009; Hopi Buttes, AZ, Lefebvre et al., 2013) to hard, fractured country rock (e.g., West Eifel volcanic field, Germany and Massif Central, France, Lorenz, 2003). Country-rock structure, including faults and joints, rock type, and shallow crustal hydrologic properties, can influence an eruption’s behavior by controlling how much and at what rate water can be supplied to the magma (hydraulic flow rate), and determining the sediment: water ratio in the case of soft-sediment substrate eruptions. In a “soft” substrate environment, volcanic tremor can lead to liquefaction of saturated sediment, producing a slurry that may then interact with magma in unique ways (White, 1996; Auer, et al., 2006).

58 GEOSCIENCES↗
DOE OSTI2012

Determination of the displacement energies of O, Si and Zr under electron beam irradiation

The response of nanocrystalline, stabilizer-free cubic zirconia thin films on a Si substrate to electron beam irradiation with energies of 4, 110 and 200 keV and fluences up to ~1.5 × 1022 e m-2 has been studied to determine the displacement energies. The 110 and 200 keV irradiations were performed in situ using a transmission electron microscope; the 4 keV irradiations were performed ex situ using an electron gun. In all three irradiations, no structural modification of the zirconia was observed, despite the high fluxes and fluences. However the Si substrate on which the zirconia film was deposited was amorphized under the 200 keV electron irradiation. Examination of the electron–solid interactions reveals that the kinetic energy transfer from the 200 keV electrons to the silicon lattice is sufficient to cause atomic displacements, resulting in amorphization. The kinetic energy transfer from the 200 keV electrons to the oxygen sub-lattice of the zirconia may be sufficient to induce defect production, however, no evidence of defect production was observed. The displacement cross-section value of Zr was found to be ~400 times greater than that of O indicating that the O atoms are effectively screened from the electrons by the Zr atoms, and, therefore, the displacement of O is inefficient.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Investigating the human Calcineurin Interaction Network using the π$\phi$LxVP SLiM

Ser/thr phosphorylation is the primary reversible covalent modification of proteins in eukaryotes. As a consequence, it is the reciprocal actions of kinases and phosphatases that act as key molecular switches to fine tune cellular events. It has been well documented that ~400 human ser/thr kinases engage substrates via consensus phosphosite sequences. Strikingly, we know comparatively little about the mechanism by which ~40 human protein ser/thr phosphatases (PSPs) dephosphorylate ~15000 different substrates with high specificity. The identification of substrates of the essential PSP calcineurin (CN) has been exceptionally challenging and only a small fraction has been biochemically confirmed. It is now emerging that CN binds regulators and substrates via two short linear motifs (SLiMs), the well-studied PxIxIT SLiM and the LxVP SLiM, which remains controversial at the molecular level. Here we describe the crystal structure of CN in complex with its substrate NFATc1 and show that the LxVP SLiM is correctly defined as π$\phi$LxVP. Bioinformatics studies using the π$\phi$LxVP SLiM resulted in the identification of 567 potential CN substrates; a small subset was experimentally confirmed. This combined structural-bioinformatics approach provides a powerful method for dissecting the CN interaction network and for elucidating the role of CN in human health and disease.

Science & Technology - Other Topics↗
DOE OSTI2011

Transformation of c-oriented nanowall network to a flat morphology in GaN films on c-plane sapphire

Highlights: {yields} High quality wurtzite structures GaN nanowall network formed on c-plane sapphire. {yields} Tapering of nanowalls at the apex cause electron confinement effects. {yields} Temperature dependent transformation of the six fold nanowall network to a flat morphology. {yields} Growth kinetics is influenced by adatom diffusion, interactions and bonding for GaN layer. -- Abstract: The work significantly optimizes growth parameters for nanostructured and flat GaN film in the 480-830 {sup o}C temperature range. The growth of ordered, high quality GaN nanowall hexagonal honeycomb like network on c-plane sapphire under nitrogen rich (N/Ga ratio of 100) conditions at temperatures below 700 {sup o}C is demonstrated. The walls are c-oriented wurtzite structures 200 nm wide at base and taper to 10 nm at apex, manifesting electron confinement effects to tune optoelectronic properties. For substrate temperatures above 700 {sup o}C the nanowalls thicken to a flat morphology with a dislocation density of 10{sup 10}/cm{sup 2}. The role of misfit dislocations in the GaN overlayer evolution is discussed in terms of growth kinetics being influenced by adatom diffusion, interactions and bonding at different temperatures. The GaN films are characterized by reflection high energy electron diffraction (RHEED), field emission scanning electron (FESEM), high resolution X-ray diffraction (HRXRD) and cathodoluminescence (CL).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Polymer Coatings on Virus-like Particle Nanoreactors at Low Ionic Strength—Charge Reversal and Substrate Access

Virus-like particles (VLPs) are a class of biomaterials which serve as platforms for achieving the desired functionality through interior and exterior modifications. Through ionic strength-mediated electrostatic interactions, VLPs have been assembled into hierarchically ordered materials. This work builds on predictive models to prepare polymer-coated VLP dusters at very low ionic strength. Zeta potential measurements showed that the clusters carried a strongly positive charge, a complete charge reversal from the VLP building block. SAXS analysis confirmed polymer adsorption onto the VLP exterior. Furthermore, we then studied the activity of an encapsulated enzyme toward small molecular and macromolecular substrates to determine the effect of each component of the hierarchically assembled material. We found that while encapsulation and polymer coating did not have a large effect on access to the enzyme by its native, small molecular substrate, substrate modification with a macromolecule caused the polymer coating and encapsulation to affect the access to the enzyme.

59 BASIC BIOLOGICAL SCIENCES↗