Time constant of defect relaxation in ion-irradiated 3C-SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallace, J. B.; Department of Nuclear Engineering, Texas A and M University, College Station, Texas 77843; Bayu Aji, L. B.

Above room temperature, the buildup of radiation damage in SiC is a dynamic process governed by the mobility and interaction of ballistically generated point defects. Here, we study the dynamics of radiation defects in 3C-SiC bombarded at 100 °C with 500 keV Ar ions, with the total ion dose split into a train of equal pulses. Damage–depth profiles are measured by ion channeling for a series of samples irradiated under identical conditions except for different durations of the passive part of the beam cycle. Results reveal an effective defect relaxation time constant of ∼3 ms (for second order kinetics) and a dynamicmore » annealing efficiency of ∼40% for defects in both Si and C sublattices. This demonstrates a crucial role of dynamic annealing at elevated temperatures and provides evidence of the strong coupling of defect accumulation processes in the two sublattices of 3C-SiC.« less

Rate equation analysis of hydrogen uptake on Si (100) surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inanaga, S.; Rahman, F.; Khanom, F.

2005-09-15

We have studied the uptake process of H on Si (100) surfaces by means of rate equation analysis. Flowers' quasiequilibrium model for adsorption and desorption of H [M. C. Flowers, N. B. H. Jonathan, A. Morris, and S. Wright, Surf. Sci. 396, 227 (1998)] is extended so that in addition to the H abstraction (ABS) and {beta}{sub 2}-channel thermal desorption (TD) the proposed rate equation further includes the adsorption-induced desorption (AID) and {beta}{sub 1}-TD. The validity of the model is tested by the experiments of ABS and AID rates in the reaction system H+D/Si (100). Consequently, we find it canmore » well reproduce the experimental results, validating the proposed model. We find the AID rate curve as a function of surface temperature T{sub s} exhibits a clear anti-correlation with the bulk dangling bond density versus T{sub s} curve reported in the plasma-enhanced chemical vapor deposition (CVD) for amorphous Si films. The significance of the H chemistry in plasma-enhanced CVD is discussed.« less

Highly Porous Silicon Embedded in a Ceramic Matrix: A Stable High-Capacity Electrode for Li-Ion Batteries.

PubMed

Vrankovic, Dragoljub; Graczyk-Zajac, Magdalena; Kalcher, Constanze; Rohrer, Jochen; Becker, Malin; Stabler, Christina; Trykowski, Grzegorz; Albe, Karsten; Riedel, Ralf

2017-11-28

We demonstrate a cost-effective synthesis route that provides Si-based anode materials with capacities between 2000 and 3000 mAh·g Si -1 (400 and 600 mAh·g composite -1 ), Coulombic efficiencies above 99.5%, and almost 100% capacity retention over more than 100 cycles. The Si-based composite is prepared from highly porous silicon (obtained by reduction of silica) by encapsulation in an organic carbon and polymer-derived silicon oxycarbide (C/SiOC) matrix. Molecular dynamics simulations show that the highly porous silicon morphology delivers free volume for the accommodation of strain leading to no macroscopic changes during initial Li-Si alloying. In addition, a carbon layer provides an electrical contact, whereas the SiOC matrix significantly diminishes the interface between the electrolyte and the electrode material and thus suppresses the formation of a solid-electrolyte interphase on Si. Electrochemical tests of the micrometer-sized, glass-fiber-derived silicon demonstrate the up-scaling potential of the presented approach.

STED Imaging of Golgi Dynamics with Cer-SiR: A Two-Component, Photostable, High-Density Lipid Probe for Live Cells.

PubMed

Erdmann, Roman S; Toomre, Derek; Schepartz, Alanna

2017-01-01

Long time-lapse super-resolution imaging in live cells requires a labeling strategy that combines a bright, photostable fluorophore with a high-density localization probe. Lipids are ideal high-density localization probes, as they are >100 times more abundant than most membrane-bound proteins and simultaneously demark the boundaries of cellular organelles. Here, we describe Cer-SiR, a two-component, high-density lipid probe that is exceptionally photostable. Cer-SiR is generated in cells via a bioorthogonal reaction of two components: a ceramide lipid tagged with trans-cyclooctene (Cer-TCO) and a reactive, photostable Si-rhodamine dye (SiR-Tz). These components assemble within the Golgi apparatus of live cells to form Cer-SiR. Cer-SiR is benign to cellular function, localizes within the Golgi at a high density, and is sufficiently photostable to enable visualization of Golgi structure and dynamics by 3D confocal or long time-lapse STED microscopy.

Dynamics of Defects and Dopants in Complex Systems: Si and Oxide Surfaces and Interfaces

NASA Astrophysics Data System (ADS)

Kirichenko, Taras; Yu, Decai; Banarjee, Sanjay; Hwang, Gyeong

2004-10-01

Fabrication of forthcoming nanometer scale electronic devices faces many difficulties including formation of extremely shallow and highly doped junctions. At present, ultra-low-energy ion implantation followed by high-temperature thermal annealing is most widely used to fabricate such ultra-shallow junctions. In the process, a great challenge lies in achieving precise control of redistribution and electrical activation of dopant impurities. Native defects (such as vacancies and interstitials) generated during implantation are known to be mainly responsible for the TED and also influence significantly the electrical activation/deactivation. Defect-dopant dynamics is rather well understood in crystalline Si and SiO2. However, little is known about their diffusion and annihilation (or precipitation) at the surfaces and interfaces, despite its growing importance in determining junction profiles as device dimensions get smaller. In this talk, we will present our density functional theory calculation results on the atomic and electronic structure and dynamical behavior of native defects and dopant-defect complexes in disordered/strained Si and oxide systems, such as i) clean and absorbent-modified Si(100) surface and subsurface layers, ii) amorphous-crystalline Si interfaces and iii) amorphous SiO2/Si interfaces. The fundamental understanding and data is essential in developing a comprehensive kinetic model for junction formation, which would contribute greatly in improving current process technologies.

Dynamics of surface-migration: Electron-induced reaction of 1,2-dihaloethanes on Si(100)

NASA Astrophysics Data System (ADS)

Huang, Kai; MacLean, Oliver; Guo, Si Yue; McNab, Iain R.; Ning, Zhanyu; Wang, Chen-Guang; Ji, Wei; Polanyi, John C.

2016-10-01

Scanning Tunneling Microscopy was used to investigate the electron-induced reaction of 1,2-dibromoethane (DBE) and 1,2-dichloroethane (DCE) on Si(100).We observed a long-lived physisorbed molecular state of DBE at 75 K and of DCE at 110 K. As a result we were able to characterize by experiment and also by ab initio theory the dynamics of ethylene production in the electron-induced surface-reaction of these physisorbed species. For both DBE and DCE the ethylene product was observed to migrate across the surface. In the case of DBE the recoil of the ethylene favored the silicon rows, migrating by an average distance of 22 Å, and up to 100 Å. Trajectory calculations were performed for this electron-induced reaction, using an 'Impulsive Two-State' model involving an anionic excited state and a neutral ground-potential. The model agreed with experiment in reproducing both migration and desorption of the ethylene product. The computed migration exhibited a 'ballistic' launch and subsequent 'bounces', thereby accounting for the observed long-range migratory dynamics.

Low-cycle Fatigue and Dynamic Fracture in Gold Thin Films on SiN Supported Membranes

NASA Technical Reports Server (NTRS)

Hays, C. C.; Newell, J. M.; MacNeal, P. D.; Ruiz, R. P.; Holmes, W. A.; Yun, M.; Mulder, J. L.; Koch, T. C.; Bock, J. J.; Lange, A. E.

2005-01-01

This slide presentation focuses on the dynamic mechanical response and fatigue behavior in sub-micron thick Au-films deposited onto amorphous Si(sub X)N(sub y) substrates, with spider-web geometry, that were subjected to forced vibration (3-axis random vibration with 2 kHz roll-off frequency). The work is to advance cyrogenic detectors that can operate at 100mK, that is required to create cryogenic detectors that are to search for present day signatures of the big bang.

A silencing-mediated enhancement of osteogenic differentiation by supramolecular ternary siRNA polyplexes comprising biocleavable cationic polyrotaxanes and anionic fusogenic peptides.

PubMed

Inada, Takasuke; Tamura, Atsushi; Terauchi, Masahiko; Yamaguchi, Satoshi; Yui, Nobuhiko

2018-01-30

Gene silencing of noggin by small interfering RNA (siRNA) is a promising approach for the treatment of bone defects, because noggin deactivates bone morphogenetic protein-2 (BMP-2) and suppresses osteogenic differentiation. Here, we demonstrated the silencing of the noggin gene by siRNA polyplexes composed of noggin-targeted siRNA and biocleavable cationic polyrotaxanes (DMAE-SS-PRX). To improve the endosomal escape efficiencies of the DMAE-SS-PRX/siRNA polyplexes, anionic and fusogenic GALA peptides were integrated onto the DMAE-SS-PRX/siRNA polyplexes via simple electrostatic interactions. The formation of ternary complexes was confirmed by gel electrophoresis, dynamic light scattering, and zeta-potential measurements. Although the association of GALA peptides with the DMAE-SS-PRX/siRNA polyplexes did not remarkably affect the cellular uptake efficiency of siRNA, the endosomal escape efficiency was remarkably increased for GALA/DMAE-SS-PRX/siRNA ternary polyplexes because of the endosomal and lysosomal membrane destabilization by GALA peptides. Consequently, GALA/DMAE-SS-PRX/siRNA ternary polyplexes showed significantly higher gene silencing efficiency against noggin and enhanced the BMP-2-mediated osteogenic differentiation efficiency. Therefore, we concluded that GALA/DMAE-SS-PRX/siRNA ternary polyplexes can be effective siRNA carriers for suppressing the expression of specific endogenous genes. Consequently, we believe that a more practical approach in vivo will be the combined use of BMP-2 and GALA/DMAE-SS-PRX/siRNA ternary polyplexes, because it will improve the efficacy of bone regeneration therapy.

Dissociative adsorption of CH{sub 3}X (X = Br and Cl) on a silicon(100) surface revisited by density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Chen-Guang; Lash Miller Chemical Laboratories, Department of Chemistry and Institute of Optical Sciences, University of Toronto, Toronto, Ontario M5S 3H6; Huang, Kai, E-mail: khuang@chem.utoronto.ca, E-mail: wji@ruc.edu.cn

During the dissociative adsorption on a solid surface, the substrate usually participates in a passive manner to accommodate fragments produced upon the cleavage of the internal bond(s) of a (transient) molecular adsorbate. This simple picture, however, neglects the flexibility of surface atoms. Here, we report a Density Functional Theory study to revisit our early studies of the dissociative adsorption of CH{sub 3}X (X = Br and Cl) on Si(100). We have identified a new reaction pathway, which involves a flip of a silicon dimer; this new pathway agrees better with experiments. For our main exemplar of CH{sub 3}Br, insights havemore » been gained using a simple model that involves a three-atom reactive center, Br-C-Si. When the silicon dimer flips, the interaction between C and Si in the Br-C-Si center is enhanced, evident in the increased energy-split of the frontier orbitals. We also examine how the dissociation dynamics of CH{sub 3}Br is altered on a heterodimer (Si-Al, Si-P, and Si-Ge) in a Si(100) surface. In each case, we conclude, on the basis of computed reaction pathways, that no heterodimer flipping is involved before the system transverses the transition state to dissociative adsorption.« less

Comparison Study on Additive Manufacturing (AM) and Powder Metallurgy (PM) AlSi10Mg Alloys

NASA Astrophysics Data System (ADS)

Chen, B.; Moon, S. K.; Yao, X.; Bi, G.; Shen, J.; Umeda, J.; Kondoh, K.

2018-02-01

The microstructural and mechanical properties of AlSi10Mg alloys fabricated by additive manufacturing (AM) and powder metallurgy (PM) routes were investigated and compared. The microstructures were examined by scanning electron microscopy assisted with electron-dispersive spectroscopy. The crystalline features were studied by x-ray diffraction and electron backscatter diffraction. Room-temperature tensile tests and Vickers hardness measurements were performed to characterize the mechanical properties. It was found that the AM alloy had coarser Al grains but much finer Si precipitates compared with the PM alloy. Consequently, the AM alloy showed more than 100% increment in strength and hardness compared with the PM alloy due to the presence of ultrafine forms of Si, while exhibiting moderate ductility.

Thermal conductivity of hexagonal Si and hexagonal Si nanowires from first-principles

NASA Astrophysics Data System (ADS)

Raya-Moreno, Martí; Aramberri, Hugo; Seijas-Bellido, Juan Antonio; Cartoixà, Xavier; Rurali, Riccardo

2017-07-01

We calculate the thermal conductivity, κ, of the recently synthesized hexagonal diamond (lonsdaleite) Si using first-principles calculations and solving the Boltzmann Transport Equation. We find values of κ which are around 40% lower than in the common cubic diamond polytype of Si. The trend is similar for [111] Si nanowires, with reductions of the thermal conductivity that are even larger than in the bulk in some diameter range. The Raman active modes are identified, and the role of mid-frequency optical phonons that arise as a consequence of the reduced symmetry of the hexagonal lattice is discussed. We also show briefly that popular classic potentials used in molecular dynamics might not be suited to describe hexagonal polytypes, discussing the case of the Tersoff potential.

Strain Relaxation in Si{sub 1-x}Ge{sub x} Thin Films on Si(100) Substrates: Modeling and Comparisons with Experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolluri, K; Zepeda-Ruiz, L A; Murthy, C S

2005-03-22

Strained semiconductor thin films grown epitaxially on semiconductor substrates of different composition, such as Si{sub 1-x}Ge{sub x}/Si, are becoming increasingly important in modern microelectronic technologies. In this paper, we report a hierarchical computational approach for analysis of dislocation formation, glide motion, multiplication, and annihilation in Si{sub 1-x}Ge{sub x} epitaxial thin films on Si substrates. Specifically, a condition is developed for determining the critical film thickness with respect to misfit dislocation generation as a function of overall film composition, film compositional grading, and (compliant) substrate thickness. In addition, the kinetics of strain relaxation in the epitaxial film during growth or thermalmore » annealing (including post-implantation annealing) is analyzed using a properly parameterized dislocation mean-field theoretical model, which describes plastic deformation dynamics due to threading dislocation propagation. The theoretical results for Si{sub 1-x}Ge{sub x} epitaxial thin films grown on Si (100) substrates are compared with experimental measurements and are used to discuss film growth and thermal processing protocols toward optimizing the mechanical response of the epitaxial film.« less

Amorphization driven by defect-induced mechanical instability.

PubMed

Jiang, Chao; Zheng, Ming-Jie; Morgan, Dane; Szlufarska, Izabela

2013-10-11

Using ab initio molecular dynamics simulations, we perform a comparative study of the defect accumulation process in silicon carbide (SiC) and zirconium carbide (ZrC). Interestingly, we find that the fcc Si sublattice in SiC spontaneously and gradually collapses following the continuous introduction of C Frenkel pairs (FPs). Above a critical amorphization dose of ~0.33 displacements per atom (dpa), the pair correlation function exhibits no long-range order. In contrast, the fcc Zr sublattice in ZrC remains structurally stable against C sublattice displacements up to the highest dose of 1.0 dpa considered. Consequently, ZrC cannot be amorphized by the accumulation of C FPs. We propose defect-induced mechanical instability as the key mechanism driving the amorphization of SiC under electron irradiation.

Molecular dynamics study of silicon carbide properties under external dynamic loading

NASA Astrophysics Data System (ADS)

Utkin, A. V.; Fomin, V. M.

2017-10-01

In this study, molecular dynamic simulations of high-velocity impact of a spherical 3C-SiC cluster, with a wide range of velocities (from 100 to 2600 m/s) and with a rigid wall, were performed. The analysis of the final structure shows that no structural phase transformation occurred in the material, despite the high pressure during the collision process.

Nanopatterning dynamics on Si(100) during oblique 40-keV Ar+ erosion with metal codeposition: Morphological and compositional correlation

NASA Astrophysics Data System (ADS)

Redondo-Cubero, A.; Gago, R.; Palomares, F. J.; Mücklich, A.; Vinnichenko, M.; Vázquez, L.

2012-08-01

The formation and dynamics of nanopatterns produced on Si(100) surfaces by 40-keV Ar+ oblique (α = 60°) bombardment with concurrent Fe codeposition have been studied. Morphological and chemical analysis has been performed by ex situ atomic force microscopy, Rutherford backscattering spectrometry, x-ray photoelectron spectroscopy, and scanning and transmission electron microscopies. During irradiation, Fe atoms incorporated into the target surface react with Si to form silicides, a process enhanced at this medium-ion energy range. The silicides segregate at the nanoscale from the early irradiation stages. As the irradiation proceeds, a ripple pattern is formed without any correlation with silicide segregation. From the comparison with the pattern dynamics reported previously for metal-free conditions, it is demonstrated that the metal incorporation alters both the pattern dynamics and the morphology. Although the pattern formation and dynamics are delayed for decreasing metal content, once ripples emerge, the same qualitative pattern of morphological evolution is observed for different metal content, resulting in an asymptotic saw-tooth-like facetted surface pattern. Despite the medium ion energy employed, the nanopatterning process with concurrent Fe deposition can be explained by those mechanisms proposed for low-ion energy irradiations such as shadowing, height fluctuations, silicide formation and segregation, ensuing composition dependent sputter rate, and ion sculpting effects. In particular, the interplay between the ion irradiation and metal flux geometries, differences in sputtering rates, and the surface pattern morphology produces a dynamic compositional patterning correlated with the evolving morphological one.

High-pressure melting of MgSiO3.

PubMed

Belonoshko, A B; Skorodumova, N V; Rosengren, A; Ahuja, R; Johansson, B; Burakovsky, L; Preston, D L

2005-05-20

The melting curve of MgSiO(3) perovskite has been determined by means of ab initio molecular dynamics complemented by effective pair potentials, and a new phenomenological model of melting. Using first principles ground state calculations, we find that the MgSiO(3) perovskite phase transforms into post perovskite at pressures above 100 GPa, in agreement with recent theoretical and experimental studies. We find that the melting curve of MgSiO(3), being very steep at pressures below 60 GPa, rapidly flattens on increasing pressure. The experimental controversy on the melting of the MgSiO(3) perovskite at high pressures is resolved, confirming the data by Zerr and Boehler.

Nuclear Resonance Scattering of Circularly Polarized SR

NASA Astrophysics Data System (ADS)

Szymanski, K.; Satula, D.; Dobrzynski, L.; Kalska, B.

2004-09-01

Results of the experiments with nuclear resonance scattering of synchrotron radiation aiming at construction of the circularly polarized beam suitable for nuclear hyperfine studies are reported. Si(4 0 0) single crystal slab, 100 μ m thick, was used as a quarter wave plate. Observed twofold reduction of the intensity in proposed geometry is due to the Si crystal itself. Hyperfine interactions are used to probe polarization state of the synchrotron beam. Too large angular beam divergence did not allow for achieving full circular polarization of photons. Consequently, further experiments are proposed to overcame beam divergence problems. A number of calculations presented in the paper show that cheap and easily available Si plate can serve as an effective desired polarizer.

Dynamics of molecular excitons near a semiconductor surface studied by fluorescence quenching of polycrystalline tetracene on silicon

NASA Astrophysics Data System (ADS)

Piland, Geoffrey B.; Burdett, Jonathan J.; Hung, Tzu-Yao; Chen, Po-Hsun; Lin, Chi-Feng; Chiu, Tien-Lung; Lee, Jiun-Haw; Bardeen, Christopher J.

2014-05-01

Tetracene, a molecule that undergoes singlet fission, is deposited on Si with variable thickness LiF spacer layers. In agreement with earlier work (Hayashi et al., 1983 [10]), the fluorescence intensity of the tetracene greatly increases as the LiF thickness approaches 100 nm. This increase is partly due to a 30% increase in the prompt fluorescence decay time but mostly results from weaker coupling of the luminescence into the Si substrate. A decrease in the prompt fluorescence lifetime is observed as the tetracene thickness is increased on bare Si. We find no evidence for triplet energy transfer to the Si.

The damage equivalence of electrons, protons, alphas and gamma rays in rad-hard MOS devices

NASA Technical Reports Server (NTRS)

Stassinopoulos, E. G.; Van Gunten, O.; Brucker, G. J.; Knudson, A. R.; Jordan, T. M.

1983-01-01

This paper reports on a study of damage equivalence in rad-hard MOS devices with 100,000 rads (SiO2) capability. Damage sensitivities for electrons of 1, 2, 3, 5, and 7 MeV, protons of 1, 3, 7, 22, and 40 MeV, 3.4-MeV alphas, and Co-60 gammas were measured and compared. Results indicated that qualitatively the same charge recombination effects occurred in hard oxide devices for doses of 100,000 rads (SiO2) as in soft oxide parts for doses of 1 to 4 krads (SiO2). Consequently, damage equivalency or non-equivalency depended on radiation type and energy. However, recovery effects, both during and after irradiation, controlled relative damage sensitivity and its dependency on total dose, dose rate, supply bias, gate bias, radiation type, and energy. Correction factors can be derived from these data or from similar tests of other hard oxide type, so as to properly evaluate the combined effects of the total space environment.

Nano-deformation behavior of silicon (100) film studied by depth sensing indentation and nanoscratch technique

NASA Astrophysics Data System (ADS)

Geetha, D.; Pratyank, R.; Kiran, P.

2018-04-01

Silicon being the most important material applied in microelectronic and photovoltaic technology, repeated investigation of the mechanical properties becomes essential. The nanoscale elastic-plastic deformation characteristics of Si (100) film were analyzed using nanoindentation and nanoscratch techniques. The hardness and elastic modulus values of the film obtained from nanoindentation tests were found to be consistent with the reported values. The load-displacement curves showed discontinuities and kinks which confirms the plastic behaviour of Si. The indentation induced plastic deformations were the consequences of the phase transformations. The critical shear stress, tensile strength and plastic zone size, of the Si film when subjected to nanoindentation were determined. The nanoscratch tests were performed to understand the tribological properties of the film. The SPM images of both the nanoindentation and nanoscratch profiles were useful in revealing the plastic character in terms of the piling up of matter in the vicinity of the dents. Conclusions were drawn in quantifying the plastic deformations and phase transformations.

Ion-sculpting of nanopores in amorphous metals, semiconductors, and insulators

DOE Office of Scientific and Technical Information (OSTI.GOV)

George, H. Bola; Madi, Charbel S.; Aziz, Michael J.

2010-06-28

We report the closure of nanopores to single-digit nanometer dimensions by ion sculpting in a range of amorphous materials including insulators (SiO{sub 2} and SiN), semiconductors (a-Si), and metallic glasses (Pd{sub 80}Si{sub 20})--the building blocks of a single-digit nanometer electronic device. Ion irradiation of nanopores in crystalline materials (Pt and Ag) does not cause nanopore closure. Ion irradiation of c-Si pores below 100 deg. C and above 600 deg. C, straddling the amorphous-crystalline dynamic transition temperature, yields closure at the lower temperature but no mass transport at the higher temperature. Ion beam nanosculpting appears to be restricted to materials thatmore » either are or become amorphous during ion irradiation.« less

Molecular dynamics study of structural damage in amorphous silica induced by swift heavy-ion radiation

NASA Astrophysics Data System (ADS)

Zhen, J. S.; Yang, Q.; Yan, Y. H.; Jiang, X. W.; Yan, S. A.; Chen, W.; Guo, X. Q.

2016-03-01

In this paper, the radiation defects induced by the swift heavy ions and the recoil atoms in amorphous SiO2 were studied. The energy of recoil atoms induced by the incident Au ions in SiO2 was calculated by using Monte Carlo method. Results show that the average energies of recoils reach the maximum (200 eV for Si and 130 eV for O, respectively) when the incident energy of Au ion is 100 MeV. Using Tersoff/zbl potential with the newly built parameters, the defects formation processes in SiO2 induced by the recoils were studied by using molecular dynamics method. The displacement threshold energies (Ed) for Si and O atoms are found to be 33.5 and 16.3 eV, respectively. Several types of under- and over-coordinated Si and O defects were analyzed. The results demonstrate that Si3, Si5, and O1 are the mainly defects in SiO2 after radiation. Besides, the size of cylindrical damage region produced by a single recoil atom was calculated. The calculation shows that the depth and the radius are up to 2.0 and 1.4 nm when the energy of recoils is 200 eV. Finally, it is estimated that the Au ion would induce a defected track with a diameter of 4 nm in SiO2.

Chronological protein synthesis in regenerating rat liver.

PubMed

He, Jinjun; Hao, Shuai; Zhang, Hao; Guo, Fuzheng; Huang, Lingyun; Xiao, Xueyuan; He, Dacheng

2015-07-01

Liver regeneration has been studied for decades; however, its regulation remains unclear. In this study, we report a dynamic tracing of protein synthesis in rat regenerating liver with a new proteomic technique, (35) S in vivo labeling analysis for dynamic proteomics (SiLAD). Conventional proteomic techniques typically measure protein alteration in accumulated amounts. The SiLAD technique specifically detects protein synthesis velocity instead of accumulated amounts of protein through (35) S pulse labeling of newly synthesized proteins, providing a direct way for analyzing protein synthesis variations. Consequently, protein synthesis within short as 30 min was visualized and protein regulations in the first 8 h of regenerating liver were dynamically traced. Further, the 3.5-5 h post partial hepatectomy (PHx) was shown to be an important regulatory turning point by acute regulation of many proteins in the initiation of liver regeneration. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bulk silicon as photonic dynamic infrared scene projector

NASA Astrophysics Data System (ADS)

Malyutenko, V. K.; Bogatyrenko, V. V.; Malyutenko, O. Yu.

2013-04-01

A Si-based fast (frame rate >1 kHz), large-scale (scene area 100 cm2), broadband (3-12 μm), dynamic contactless infrared (IR) scene projector is demonstrated. An IR movie appears on a scene because of the conversion of a visible scenario projected at a scene kept at elevated temperature. Light down conversion comes as a result of free carrier generation in a bulk Si scene followed by modulation of its thermal emission output in the spectral band of free carrier absorption. The experimental setup, an IR movie, figures of merit, and the process's advantages in comparison to other projector technologies are discussed.

Carrier dynamics in silicon nanowires studied using optical-pump terahertz-probe spectroscopy

NASA Astrophysics Data System (ADS)

Beaudoin, Alexandre; Salem, Bassem; Baron, Thierry; Gentile, Pascal; Morris, Denis

2014-03-01

The advance of non-contact measurements involving pulsed terahertz radiation presents great interests for characterizing electrical properties of a large ensemble of nanowires. In this work, N-doped and undoped silicon nanowires (SiNWs) grown by chemical vapour deposition (CVD) on quartz substrate were characterized using optical-pump terahertz probe (OPTP) transmission experiments. Our results show that defects and ionized impurities introduced by N-doping the CVD-grown SiNWs tend to reduce the photoexcited carrier lifetime and degrade their conductivity properties. Capture mechanisms by the surface trap states play a key role on the photocarrier dynamics in theses small diameters' (~100 nm) SiNWs and the doping level is found to alter this dynamics. We propose convincing capture and recombination scenarios that explain our OPTP measurements. Fits of our photoconductivity data curves, from 0.5 to 2 THz, using a Drude-plasmon conductivity model allow determining photocarrier mobility values of 190 and 70 cm2/V .s, for the undoped and N-doped NWs samples, respectively.

Laser ablation synthesis of Si-overdoped Ni1- x O with rocksalt-type derived superstructures and tailored optical properties

NASA Astrophysics Data System (ADS)

Chang, Yu-Ling; Lin, Shih-Siang; Zheng, Yuyuan; Shen, Pouyan; Chen, Shuei-Yuan

2017-04-01

Si-overdoped Ni1- x O nanocondensates/particulates with novel superstructures were fabricated by pulsed laser ablation (PLA) of Ni in tetraethyl orthosilicate and characterized using electron microscopy and optical spectroscopy. The Si-overdoped and C-H-mediated Ni1- x O turned out to have two kinds of rocksalt-type derived superstructures, i.e., (1) 2 × 2 × 2 type of high-pressure stabilized Ni2SiO4 spinel which occurred as platy domains in the particles with {135} facets and (2) 3 × 3 × 3 type intimately mixed with 1D 6 × (100) throughout the particles with {100}, {110}, and {111} facets. Such shaped and superstructured particles, more or less encapsulated with graphitic carbon and siliceous amorphous phase, showed phase and dopant-tailored optical properties, in particular violet and green photoluminescence and UV-visible absorbance for potential engineering applications and shed light on their occurrence in natural dynamic settings.

Nucleation Of Ge 3D-islands On Pit-patterned Si Substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Novikov, P. L.; Smagina, J. V.; Vlasov, D. Yu.

2011-12-23

Joint experimental and theoretical study of Ge nanoislands growth on pit-patterned Si substrate is carried out. Si substrates that have been templated by means of electron beam lithography and reactive ion etching have been used to grow Ge by molecular-beam epitaxy. Atomic-force-microscopy studies show that at Si(100) substrate temperature 550 deg. C, Ge nanoislands are formed at the pits' edges, rather than between the pits. The effect is interpreted in terms of energy barrier, that is formed near the edge of a pit and prevents Ge transport inside the pit. By molecular dynamics calculations the value of the energy barriermore » 0.9 eV was obtained.« less

Molecular dynamics and quasidynamics simulations of the annealing of bulk and near-surface interstitials formed in molecular-beam epitaxial Si due to low-energy particle bombardment during deposition

NASA Technical Reports Server (NTRS)

Kitabatake, M.; Fons, P.; Greene, J. E.

1991-01-01

The relaxation, diffusion, and annihilation of split and hexagonal interstitials resulting from 10 eV Si irradiation of (2x1)-terminated Si(100) are investigated. Molecular dynamics and quasidynamics simulations, utilizing the Tersoff many-body potential are used in the investigation. The interstitials are created in layers two through six, and stable atomic configurations and total potential energies are derived as a function of site symmetry and layer depth. The interstitial Si atoms are allowed to diffuse, and the total potential energy changes are calculated. Lattice configurations along each path, as well as the starting configurations, are relaxed, and minimum energy diffusion paths are derived. The results show that the minimum energy paths are toward the surface and generally involved tetrahedral sites. The calculated interstitial migration activation energies are always less than 1.4 eV and are much lower in the near-surface region than in the bulk.

Atomistic aspects of ductile responses of cubic silicon carbide during nanometric cutting

PubMed Central

2011-01-01

Cubic silicon carbide (SiC) is an extremely hard and brittle material having unique blend of material properties which makes it suitable candidate for microelectromechanical systems and nanoelectromechanical systems applications. Although, SiC can be machined in ductile regime at nanoscale through single-point diamond turning process, the root cause of the ductile response of SiC has not been understood yet which impedes significant exploitation of this ceramic material. In this paper, molecular dynamics simulation has been carried out to investigate the atomistic aspects of ductile response of SiC during nanometric cutting process. Simulation results show that cubic SiC undergoes sp3-sp2 order-disorder transition resulting in the formation of SiC-graphene-like substance with a growth rate dependent on the cutting conditions. The disorder transition of SiC causes the ductile response during its nanometric cutting operations. It was further found out that the continuous abrasive action between the diamond tool and SiC causes simultaneous sp3-sp2 order-disorder transition of diamond tool which results in graphitization of diamond and consequent tool wear. PMID:22078069

Atomistic aspects of ductile responses of cubic silicon carbide during nanometric cutting.

PubMed

Goel, Saurav; Luo, Xichun; Reuben, Robert L; Rashid, Waleed Bin

2011-11-11

Cubic silicon carbide (SiC) is an extremely hard and brittle material having unique blend of material properties which makes it suitable candidate for microelectromechanical systems and nanoelectromechanical systems applications. Although, SiC can be machined in ductile regime at nanoscale through single-point diamond turning process, the root cause of the ductile response of SiC has not been understood yet which impedes significant exploitation of this ceramic material. In this paper, molecular dynamics simulation has been carried out to investigate the atomistic aspects of ductile response of SiC during nanometric cutting process. Simulation results show that cubic SiC undergoes sp3-sp2 order-disorder transition resulting in the formation of SiC-graphene-like substance with a growth rate dependent on the cutting conditions. The disorder transition of SiC causes the ductile response during its nanometric cutting operations. It was further found out that the continuous abrasive action between the diamond tool and SiC causes simultaneous sp3-sp2 order-disorder transition of diamond tool which results in graphitization of diamond and consequent tool wear.

Optical fingerprints of solid-liquid interfaces: a joint ATR-IR and first principles investigation

NASA Astrophysics Data System (ADS)

Yang, L.; Niu, F.; Tecklenburg, S.; Pander, M.; Nayak, S.; Erbe, A.; Wippermann, S.; Gygi, F.; Galli, G.

Despite the importance of understanding the structural and bonding properties of solid-liquid interfaces for a wide range of (photo-)electrochemical applications, there are presently no experimental techniques available to directly probe the microscopic structure of solid-liquid interfaces. To develop robust strategies to interpret experiments and validate theory, we carried out attenuated total internal reflection (ATR-IR) spectroscopy measurements and ab initio molecular dynamics (AIMD) simulations of the vibrational properties of interfaces between liquid water and well-controlled prototypical semiconductor substrates. We show the Ge(100)/H2O interface to feature a reversible potential-dependent surface phase transition between Ge-H and Ge-OH termination. The Si(100)/H2O interface is proposed as a model system for corrosion and oxidation processes. We performed AIMD calculations under finite electric fields, revealing different pathways for initial oxidation. These pathways are predicted to exhibit unique spectral signatures. A significant increase in surface specificity can be achieved utilizing an angle-dependent ATR-IR experiment, which allows to detect such signatures at the interfacial layer and consequently changes in the hydrogen bond network. Funding from DOE-BES Grant No. DE-SS0008939 and the Deutsche Forschungsgemeinschaft (RESOLV, EXC 1069) are gratefully acknowledged.

Tunable dual-channel filter based on the photonic crystal with air defects.

PubMed

Zhao, Xiaodan; Yang, Yibiao; Wen, Jianhua; Chen, Zhihui; Zhang, Mingda; Fei, Hongming; Hao, Yuying

2017-07-01

We propose a tuning filter containing two channels by inserting a defect layer (Air/Si/Air/Si/Air) into a one-dimensional photonic crystal of Si/SiO 2 , which is on the symmetry of the defect. Two transmission peaks (1528.98 and 1564.74 nm) appear in the optical communication S-band and C-band, and the transmittance of these two channels is up to 100%. In addition, this design realizes multi-channel filtering to process large dynamic range or multiple independent signals in the near-infrared band by changing the structure. The tuning range will be enlarged, and the channels can be moved in this range through the easy control of air thickness and incident angle.

Dynamic compression of minerals in the magnesium oxide-iron oxide-silicon dioxide system

NASA Astrophysics Data System (ADS)

Akins, Joseph A.

The first shock wave experiments performed on silicate materials were reported for quartz in 1962. The intervening forty years have allowed for extensive investigation of SiO2 by dynamic, static and theoretical means. Previous studies have concluded that quartz transforms completely to stishovite at ˜40 GPa and melts at ˜115 GPa along its Hugoniot. Recent discoveries that SiO2 transforms to phases slightly more dense than stishovite have led to a reexamination of the dynamic compression of SiO2 in this thesis. Based on comparing calculated Hugoniots to data for multiple initial SiO2 phases, it is proposed that, in addition to the stishovite and melt transitions, quartz is completely transformed to the CaCl2 structure at ˜70 GPa. Coesite shows evidence of complete transformation to stishovite at ˜50 GPa, and to the CaCl 2 structure at ˜65 GPa. Due to the higher temperature achieved in the quartz samples the slope of the stishovite-CaCl2 phase boundary is constrained to be ˜180 K/GPa. From a similar analysis of Hugoniot data collected for high quality MgSiO 3 natural crystal and synthetic glass in this study, and existing data, it is concluded that along the crystal Hugoniot akimotoite is attained at ˜70 GPa, perovskite structure at ˜110 GPa and melt at ˜170 GPa. It is found that the melt is 2--3% denser than the solid at pressures greater than 100 GPa, after correcting for thermal differences in the two regimes. An important implication is a negative Clapeyron slope, leading to a decreasing melting temperature with increasing pressure, above ˜100 GPa. These observations increase the possibility of the existence of a significant amount of partial melt in the lowermost mantle, e.g., the ultra low velocity zone.

Large Reduction of Hot Spot Temperature in Graphene Electronic Devices with Heat-Spreading Hexagonal Boron Nitride.

PubMed

Choi, David; Poudel, Nirakar; Park, Saungeun; Akinwande, Deji; Cronin, Stephen B; Watanabe, Kenji; Taniguchi, Takashi; Yao, Zhen; Shi, Li

2018-04-04

Scanning thermal microscopy measurements reveal a significant thermal benefit of including a high thermal conductivity hexagonal boron nitride (h-BN) heat-spreading layer between graphene and either a SiO 2 /Si substrate or a 100 μm thick Corning flexible Willow glass (WG) substrate. At the same power density, an 80 nm thick h-BN layer on the silicon substrate can yield a factor of 2.2 reduction of the hot spot temperature, whereas a 35 nm thick h-BN layer on the WG substrate is sufficient to obtain a factor of 4.1 reduction. The larger effect of the h-BN heat spreader on WG than on SiO 2 /Si is attributed to a smaller effective heat transfer coefficient per unit area for three-dimensional heat conduction into the thick, low-thermal conductivity WG substrate than for one-dimensional heat conduction through the thin oxide layer on silicon. Consequently, the h-BN lateral heat-spreading length is much larger on WG than on SiO 2 /Si, resulting in a larger degree of temperature reduction.

Molecular dynamics simulations of Si etching in Cl- and Br-based plasmas: Cl{sup +} and Br{sup +} ion incidence in the presence of Cl and Br neutrals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakazaki, Nobuya, E-mail: nakazaki.nobuya.58x@st.kyoto-u.ac.jp; Takao, Yoshinori; Eriguchi, Koji

Classical molecular dynamics (MD) simulations have been performed for Cl{sup +} and Br{sup +} ions incident on Si(100) surfaces with Cl and Br neutrals, respectively, to gain a better understanding of the ion-enhanced surface reaction kinetics during Si etching in Cl- and Br-based plasmas. The ions were incident normally on surfaces with translational energies in the range E{sub i} = 20–500 eV, and low-energy neutrals of E{sub n} = 0.01 eV were also incident normally thereon with the neutral-to-ion flux ratio in the range Γ{sub n}{sup 0}/Γ{sub i}{sup 0} = 0–100, where an improved Stillinger--Weber potential form was employed for the interatomic potential concerned. The etch yieldsmore » and thresholds presently simulated were in agreement with the experimental results previously reported for Si etching in Cl{sub 2} and Br{sub 2} plasmas as well as in Cl{sup +}, Cl{sub 2}{sup +}, and Br{sup +} beams, and the product stoichiometry simulated was consistent with that observed during Ar{sup +} beam incidence on Si in Cl{sub 2}. Moreover, the surface coverage of halogen atoms, halogenated layer thickness, surface stoichiometry, and depth profile of surface products simulated for Γ{sub n}{sup 0}/Γ{sub i}{sup 0} = 100 were in excellent agreement with the observations depending on E{sub i} reported for Si etching in Cl{sub 2} plasmas. The MD also indicated that the yield, coverage, and surface layer thickness are smaller in Si/Br than in Si/Cl system, while the percentage of higher halogenated species in product and surface stoichiometries is larger in Si/Br. The MD further indicated that in both systems, the translational energy distributions of products and halogen adsorbates desorbed from surfaces are approximated by two Maxwellians of temperature T{sub 1} ≈ 2500 K and T{sub 2} ≈ 7000–40 000 K. These energy distributions are discussed in terms of the desorption or evaporation from hot spots formed through chemically enhanced physical sputtering and physically enhanced chemical sputtering, which have so far been speculated to both occur in the ion-enhanced surface reaction kinetics of plasma etching.« less

Adiabatic wavelength redshift by dynamic carrier depletion using p -i -n -diode-loaded photonic crystal waveguides

NASA Astrophysics Data System (ADS)

Kondo, K.; Baba, T.

2018-03-01

We demonstrate an adiabatic wavelength redshift using dynamic carrier depletion. Free carriers are first induced through two-photon absorption of a control pulse and then extracted by a reverse-biased p-i-n diode formed on a Si photonic crystal waveguide, resulting in rapid carrier depletion. A copropagating signal pulse is redshifted by the consequent increase in refractive index. We experimentally evaluated the dynamics of the carrier depletion by the pump-probe method and explored suitable conditions for adiabatic redshift. The signal's redshift was observed, and was confirmed to originate in the dynamic carrier depletion. The redshift was experimentally determined as 0.21 nm.

Surfactant titration of nanoparticle-protein corona.

PubMed

Maiolo, Daniele; Bergese, Paolo; Mahon, Eugene; Dawson, Kenneth A; Monopoli, Marco P

2014-12-16

Nanoparticles (NP), when exposed to biological fluids, are coated by specific proteins that form the so-called protein corona. While some adsorbing proteins exchange with the surroundings on a short time scale, described as a "dynamic" corona, others with higher affinity and long-lived interaction with the NP surface form a "hard" corona (HC), which is believed to mediate NP interaction with cellular machineries. In-depth NP protein corona characterization is therefore a necessary step in understanding the relationship between surface layer structure and biological outcomes. In the present work, we evaluate the protein composition and stability over time and we systematically challenge the formed complexes with surfactants. Each challenge is characterized through different physicochemical measurements (dynamic light scattering, ζ-potential, and differential centrifugal sedimentation) alongside proteomic evaluation in titration type experiments (surfactant titration). 100 nm silicon oxide (Si) and 100 nm carboxylated polystyrene (PS-COOH) NPs cloaked by human plasma HC were titrated with 3-[(3-Cholamidopropyl) dimethylammonio]-1-propanesulfonate (CHAPS, zwitterionic), Triton X-100 (nonionic), sodium dodecyl sulfate (SDS, anionic), and dodecyltrimethylammonium bromide (DTAB, cationic) surfactants. Composition and density of HC together with size and ζ-potential of NP-HC complexes were tracked at each step after surfactant titration. Results on Si NP-HC complexes showed that SDS removes most of the HC, while DTAB induces NP agglomeration. Analogous results were obtained for PS NP-HC complexes. Interestingly, CHAPS and Triton X-100, thanks to similar surface binding preferences, enable selective extraction of apolipoprotein AI (ApoAI) from Si NP hard coronas, leaving unaltered the dispersion physicochemical properties. These findings indicate that surfactant titration can enable the study of NP-HC stability through surfactant variation and also selective separation of certain proteins from the HC. This approach thus has an immediate analytical value as well as potential applications in HC engineering.

Single-fabrication-step Ge nanosphere/SiO2/SiGe heterostructures: a key enabler for realizing Ge MOS devices

NASA Astrophysics Data System (ADS)

Liao, P. H.; Peng, K. P.; Lin, H. C.; George, T.; Li, P. W.

2018-05-01

We report channel and strain engineering of self-organized, gate-stacking heterostructures comprising Ge-nanosphere gate/SiO2/SiGe-channels. An exquisitely-controlled dynamic balance between the concentrations of oxygen, Si, and Ge interstitials was effectively exploited to simultaneously create these heterostructures in a single oxidation step. Process-controlled tunability of the channel length (5–95 nm diameters for the Ge-nanospheres), gate oxide thickness (2.5–4.8 nm), as well as crystal orientation, chemical composition and strain engineering of the SiGe-channel was achieved. Single-crystalline (100) Si1‑x Ge x shells with Ge content as high as x = 0.85 and with a compressive strain of 3%, as well as (110) Si1‑x Ge x shells with Ge content of x = 0.35 and corresponding compressive strain of 1.5% were achieved. For each crystal orientation, our high Ge-content, highly-stressed SiGe shells feature a high degree of crystallinity and thus, provide a core ‘building block’ required for the fabrication of Ge-based MOS devices.

Single-fabrication-step Ge nanosphere/SiO2/SiGe heterostructures: a key enabler for realizing Ge MOS devices.

PubMed

Liao, P H; Peng, K P; Lin, H C; George, T; Li, P W

2018-05-18

We report channel and strain engineering of self-organized, gate-stacking heterostructures comprising Ge-nanosphere gate/SiO 2 /SiGe-channels. An exquisitely-controlled dynamic balance between the concentrations of oxygen, Si, and Ge interstitials was effectively exploited to simultaneously create these heterostructures in a single oxidation step. Process-controlled tunability of the channel length (5-95 nm diameters for the Ge-nanospheres), gate oxide thickness (2.5-4.8 nm), as well as crystal orientation, chemical composition and strain engineering of the SiGe-channel was achieved. Single-crystalline (100) Si 1-x Ge x shells with Ge content as high as x = 0.85 and with a compressive strain of 3%, as well as (110) Si 1-x Ge x shells with Ge content of x = 0.35 and corresponding compressive strain of 1.5% were achieved. For each crystal orientation, our high Ge-content, highly-stressed SiGe shells feature a high degree of crystallinity and thus, provide a core 'building block' required for the fabrication of Ge-based MOS devices.

Heusler Alloyed Electrodes Integrated in Magnetic Tunnel-Junctions

NASA Astrophysics Data System (ADS)

Hütten, Andreas; Kämmerer, Sven; Schmalhorst, Jan; Reiss, Günter

As a consequence of the growing theoretically predictions of 100% spin polarized half- and full-Heusler compounds over the past 6 years, Heusler alloys are among the most promising materials class for future magnetoelectronic and spintronic applications. We have integrated Co2MnSi as a representative of the full-Heusler compound family as one magnetic electrode into technological relevant magnetic tunnel junctions. The resulting tunnel magnetoresistance at 20 K was determined to be 95% corresponding to a Co2MnSi spin polarization of 66% in combination with an AlOx barrier thickness of 1.8 nm. For magnetic tunnel junctions prepared with an initially larger Al layer prior to oxidation the tunnel magnetoresistance at 20 K increases to about 108% associated with a Co2MnSi spin polarization of 72% clearly proving that Co2MnSi is already superior to 3d-based magnetic elements or their alloys. The corresponding room temperature values of the tunnel magnetoresistance are 33% and 41%, respectively. Structural and magnetic properties of the Co2MnSi AlOx - barrier interface have been studied with X-ray diffraction, electron and X-ray absorption spectroscopy and X-ray magnetic circular dichroism and it is shown that the ferromagnetic order of Mn and Co spins at this interface is only induced in optimally annealed Co2MnSi layer. The underlying atomic ordering mechanism responsible for achieving about its theoretical magnetic moment could be assigned to the elimination of Co-Si antisite defects whereas the reduction of Co-Mn antisite defects results in large tunnel magnetoresistance. The presence of a step like tunnel barrier which is already created during plasma oxidation while preparing the AlOx tunnel barrier has been identified as the current limitation to achieve larger tunnel magnetoresistance and hence larger spin polarization and is a direct consequence of the oxygen affinity of the Co2MnSi - Heusler elements Mn and Si.

Real time dynamics of Si magic clusters mediating phase transformation: Si(111)-(1 × 1) to (7 × 7) reconstruction revisited

NASA Astrophysics Data System (ADS)

Ong, Wei Jie; Tok, Eng Soon

2012-07-01

Using Scanning Tunneling Microscope (STM), we show that the surface undergoes phase transformation from disordered "1 × 1" to (7 × 7) reconstruction which is mediated by the formation of Si magic clusters. Mono-disperse Si magic clusters of size ~ 13.5 ± 0.5 Å can be formed by heating the Si(111) surface to 1200 °C and quenching it to room temperature at cooling rates of at least 100 °C/min. The structure consists of 3 tetra-clusters of size ~ 4.5 Ǻ similar to the Si magic clusters that were formed from Si adatoms deposited by Si solid source on Si(111)-(7 × 7) [1]. Using real time STM scanning to probe the surface at ~ 400 °C, we show that Si magic clusters pop up from the (1 × 1) surface and form spontaneously during the phase transformation. This is attributed to the difference in atomic density between "disordered 1 × 1" and (7 × 7) surface structures which lead to the release of excess Si atoms onto the surface as magic clusters.

Precursor-Surface Reactions in Plasma Deposition of Silicon Thin Films

NASA Astrophysics Data System (ADS)

Bakos, Tamas

2005-03-01

Device-quality hydrogenated amorphous silicon (a-Si:H) thin films are usually grown by plasma deposition under conditions where the SiH3 radical is the dominant deposition precursor. In this presentation, we report results of first-principles density functional theory calculations on the interactions of the SiH3 radical with the crystalline Si(100)-(2x1):H surface in conjunction with molecular-dynamics simulations of a-Si:H thin film growth by SiH3 radicals, which elucidate the pathways and energetics of surface reactions that govern important film properties. In particular, we show that an SiH3 radical can insert into strained surface Si-Si dimer bonds, abstract surface H through an Eley-Rideal mechanism, and passivate surface dangling bonds; these reactions follow exothermic and barrierless pathways that lead to a temperature-independent growth rate in agreement with experimental measurements. We also identify a thermally activated surface H abstraction process, in which the SiH3 radical diffuses through overcoordinated surface Si atoms until it encounters a favorable site for H abstraction; the diffusion and H-abstraction steps have commensurate activation barriers. This mechanism explains partly the reduction of the film H content at elevated substrate temperatures.

Embedding siRNA sequences targeting Apolipoprotein B100 in shRNA and miRNA scaffolds results in differential processing and in vivo efficacy

PubMed Central

Maczuga, Piotr; Lubelski, Jacek; van Logtenstein, Richard; Borel, Florie; Blits, Bas; Fakkert, Erwin; Costessi, Adalberto; Butler, Derek; van Deventer, Sander; Petry, Harald; Koornneef, Annemart; Konstantinova, Pavlina

2013-01-01

Overexpression of short hairpin RNA (shRNA) often causes cytotoxicity and using microRNA (miRNA) scaffolds can circumvent this problem. In this study, identically predicted small interfering RNA (siRNA) sequences targeting apolipoprotein B100 (siApoB) were embedded in shRNA (shApoB) or miRNA (miApoB) scaffolds and a direct comparison of the processing and long-term in vivo efficacy was performed. Next generation sequencing of small RNAs originating from shApoB- or miApoB-transfected cells revealed substantial differences in processing, resulting in different siApoB length, 5′ and 3′ cleavage sites and abundance of the guide or passenger strands. Murine liver transduction with adeno-associated virus (AAV) vectors expressing shApoB or miApoB resulted in high levels of siApoB expression associated with strong decrease of plasma ApoB protein and cholesterol. Expression of miApoB from the liver-specific LP1 promoter was restricted to the liver, while the H1 promoter-expressed shApoB was ectopically present. Delivery of 1 × 1011 genome copies AAV-shApoB or AAV-miApoB led to a gradual loss of ApoB and plasma cholesterol inhibition, which was circumvented by delivering a 20-fold lower vector dose. In conclusion, incorporating identical siRNA sequences in shRNA or miRNA scaffolds results in differential processing patterns and in vivo efficacy that may have serious consequences for future RNAi-based therapeutics. PMID:23089734

Surface structure analysis of BaSi2(100) epitaxial film grown on Si(111) using CAICISS

NASA Astrophysics Data System (ADS)

Okasaka, Shouta; Kubo, Osamu; Tamba, Daiki; Ohashi, Tomohiro; Tabata, Hiroshi; Katayama, Mitsuhiro

2015-05-01

Geometry and surface structure of a BaSi2(100) film on Si(111) formed by reactive deposition epitaxy (RDE) have been investigated using coaxial impact-collision ion scattering spectroscopy and atomic force microscopy. BaSi2(100) film can be grown only when the Ba deposition rate is sufficiently fast. It is revealed that a BaSi2(100) film grown at 600 °C has better crystallinity than a film grown at 750 °C owing to the mixture of planes other than (100) in the RDE process at higher temperatures. The azimuth angle dependence of the scattering intensity from Ba shows sixfold symmetry, indicating that the minimum height of surface steps on BaSi2(100) is half of the length of unit cell. By comparing the simulated azimuth angle dependences for more than ten surface models with experimental one, it is strongly indicated that the surface of a BaSi2(100) film grown on Si(111) is terminated by Si tetrahedra.

40 CFR Table 1 to Subpart Jjjj of... - NOX, CO, and VOC Emission Standards for Stationary Non-Emergency SI Engines ≥100 HP (Except...

Code of Federal Regulations, 2011 CFR

2011-07-01

... Stationary Non-Emergency SI Engines â¥100 HP (Except Gasoline and Rich Burn LPG), Stationary SI Landfill... Standards for Stationary Non-Emergency SI Engines ≥100 HP (Except Gasoline and Rich Burn LPG), Stationary SI...-Emergency SI Natural Gas b and Non-Emergency SI Lean Burn LPG b 100≤HP HP 25 HP Table 1 to Subpart JJJJ of...

A molecular dynamics study of ethanol-water hydrogen bonding in binary structure I clathrate hydrate with CO2

NASA Astrophysics Data System (ADS)

Alavi, Saman; Ohmura, Ryo; Ripmeester, John A.

2011-02-01

Guest-host hydrogen bonding in clathrate hydrates occurs when in addition to the hydrophilic moiety which causes the molecule to form hydrates under high pressure-low temperature conditions, the guests contain a hydrophilic, hydrogen bonding functional group. In the presence of carbon dioxide, ethanol clathrate hydrate has been synthesized with 10% of large structure I (sI) cages occupied by ethanol. In this work, we use molecular dynamics simulations to study hydrogen bonding structure and dynamics in this binary sI clathrate hydrate in the temperature range of 100-250 K. We observe that ethanol forms long-lived (>500 ps) proton-donating and accepting hydrogen bonds with cage water molecules from both hexagonal and pentagonal faces of the large cages while maintaining the general cage integrity of the sI clathrate hydrate. The presence of the nondipolar CO2 molecules stabilizes the hydrate phase, despite the strong and prevalent alcohol-water hydrogen bonding. The distortions of the large cages from the ideal form, the radial distribution functions of the guest-host interactions, and the ethanol guest dynamics are characterized in this study. In previous work through dielectric and NMR relaxation time studies, single crystal x-ray diffraction, and molecular dynamics simulations we have observed guest-water hydrogen bonding in structure II and structure H clathrate hydrates. The present work extends the observation of hydrogen bonding to structure I hydrates.

The effect of Sr and Bi on the Si(100) surface oxidation - Auger electron spectroscopy, low energy electron diffraction, and X-ray photoelectron spectroscopy study

NASA Technical Reports Server (NTRS)

Fan, W. C.; Mesarwi, A.; Ignatiev, A.

1990-01-01

The effect of Sr and Bi on the oxidation of the Si(100) surface has been studied by Auger electron spectroscopy, low electron diffraction, and X-ray photoelectron spectroscopy. A dramatic enhancement, by a factor of 10, of the Si oxidation has been observed for Si(100) with a Sr overlayer. The SR-enhanced Si oxidation has been studied as a function of O2 exposure and Sr coverage. In contrast to the oxidation promotion of Sr on Si, it has been also observed that a Bi overlayer on Si(100) reduced Si oxidation significantly. Sr adsorption on the Si(100) with a Bi overlayer enhances Si oxidation only at Sr coverage of greater than 0.3 ML.

Climate forcing for dynamics of dissolved inorganic nutrients at Palmer Station, Antarctica: An interdecadal (1993-2013) analysis

NASA Astrophysics Data System (ADS)

Kim, Hyewon; Doney, Scott C.; Iannuzzi, Richard A.; Meredith, Michael P.; Martinson, Douglas G.; Ducklow, Hugh W.

2016-09-01

We analyzed 20 years (1993-2013) of observations of dissolved inorganic macronutrients (nitrate, N; phosphate, P; and silicate, Si) and chlorophyll a (Chl) at Palmer Station, Antarctica (64.8°S, 64.1°W) to elucidate how large-scale climate and local physical forcing affect the interannual variability in the seasonal phytoplankton bloom and associated drawdown of nutrients. The leading modes of nutrients (N, P, and Si empirical orthogonal functions 1, EOF1) represent overall negative anomalies throughout growing seasons, showing a mixed signal of variability in the initial levels and drawdown thereafter (low-frequency dynamics). The second most common seasonal patterns of nitrate and phosphate (N and P EOF2) capture prolonged drawdown events during December-March, which are correlated to Chl EOF1. Si EOF2 captures a drawdown event during November-December, which is correlated to Chl EOF2. These different drawdown patterns are shaped by different sets of physical and climate forcing mechanisms. N and P drawdown events during December-March are influenced by the winter and spring Southern Annular Mode (SAM) phase, where nutrient utilization is enhanced in a stabilized upper water column as a consequence of SAM-driven winter sea ice and spring wind dynamics. Si drawdown during November-December is influenced by early sea ice retreat, where ice breakup may induce abrupt water column stratification and a subsequent diatom bloom or release of diatom cells from within the sea ice. Our findings underscore that seasonal nutrient dynamics in the coastal WAP are coupled to large-scale climate forcing and related physics, understanding of which may enable improved projections of biogeochemical responses to climate change.

Delayed plastic relaxation limit in SiGe islands grown by Ge diffusion from a local source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vanacore, G. M.; Zani, M.; Tagliaferri, A., E-mail: alberto.tagliaferri@polimi.it

2015-03-14

The hetero-epitaxial strain relaxation in nano-scale systems plays a fundamental role in shaping their properties. Here, the elastic and plastic relaxation of self-assembled SiGe islands grown by surface-thermal-diffusion from a local Ge solid source on Si(100) are studied by atomic force and transmission electron microscopies, enabling the simultaneous investigation of the strain relaxation in different dynamical regimes. Islands grown by this technique remain dislocation-free and preserve a structural coherence with the substrate for a base width as large as 350 nm. The results indicate that a delay of the plastic relaxation is promoted by an enhanced Si-Ge intermixing, induced by themore » surface-thermal-diffusion, which takes place already in the SiGe overlayer before the formation of a critical nucleus. The local entropy of mixing dominates, leading the system toward a thermodynamic equilibrium, where non-dislocated, shallow islands with a low residual stress are energetically stable. These findings elucidate the role of the interface dynamics in modulating the lattice distortion at the nano-scale, and highlight the potential use of our growth strategy to create composition and strain-controlled nano-structures for new-generation devices.« less

40 CFR Table 1 to Subpart Jjjj of... - NOX, CO, and VOC Emission Standards for Stationary Non-Emergency SI Engines ≥100 HP (Except...

Code of Federal Regulations, 2013 CFR

2013-07-01

... Stationary Non-Emergency SI Engines â¥100 HP (Except Gasoline and Rich Burn LPG), Stationary SI Landfill... Standards for Stationary Non-Emergency SI Engines ≥100 HP (Except Gasoline and Rich Burn LPG), Stationary SI...-Emergency SI Natural Gas b and Non-Emergency SI Lean Burn LPG b 100≤HP<500 7/1/2008 2.0 4.0 1.0 160 540 86 1...

40 CFR Table 1 to Subpart Jjjj of... - NOX, CO, and VOC Emission Standards for Stationary Non-Emergency SI Engines ≥100 HP (Except...

Code of Federal Regulations, 2012 CFR

2012-07-01

... Stationary Non-Emergency SI Engines â¥100 HP (Except Gasoline and Rich Burn LPG), Stationary SI Landfill... Standards for Stationary Non-Emergency SI Engines ≥100 HP (Except Gasoline and Rich Burn LPG), Stationary SI...-Emergency SI Natural Gas b and Non-Emergency SI Lean Burn LPG b 100≤HP<500 7/1/2008 2.0 4.0 1.0 160 540 86 1...

40 CFR Table 1 to Subpart Jjjj of... - NOX, CO, and VOC Emission Standards for Stationary Non-Emergency SI Engines ≥100 HP (Except...

Code of Federal Regulations, 2014 CFR

2014-07-01

... Stationary Non-Emergency SI Engines â¥100 HP (Except Gasoline and Rich Burn LPG), Stationary SI Landfill... Standards for Stationary Non-Emergency SI Engines ≥100 HP (Except Gasoline and Rich Burn LPG), Stationary SI...-Emergency SI Natural Gas b and Non-Emergency SI Lean Burn LPG b 100≤HP<500 7/1/2008 2.0 4.0 1.0 160 540 86 1...

A Real Time Investigation of Morphological Evolution During Solidification of Different Alloy Systems

NASA Technical Reports Server (NTRS)

Sen, S.; Kaukler, W. F.; Curreri, P. A.

1999-01-01

Solidification phenomenon which occur at the solid/liquid (s/I) interface play a major role in the determination of structure and hence the technologically important properties of a casting. However, metals being opaque, conclusions related to several important phenomenon such as boundary layer thickness, morphological evolution, and eutectic and cell spacing are deduced from quenching experiments and subsequent post solidification metallographic analysis. Consequently, limited information is obtained about the dynamics of the process. This paper will discuss the recent efforts at the Space Science Laboratory, NASA Marshall Space Flight Center, to view and quantify in-situ and in real time the dynamics of the solidification process and to measure interfacial undercooling. First, a high resolution x-ray transmission microscope (XTM) has been developed to monitor fundamental interfacial phenomena during directional solidification of metals and alloys. The XTM operates in the range of 10-100 KeV and through projection is capable of achieving magnification of up to 16OX. Secondly, an innovative collapsible furnace has been designed to quantify interfacial undercooling by measuring the temperature of a moving s/I interface in reference to a fixed s/l interface. This measurement technique is non-intrusive in nature and is based on the Seebeck principle. In this paper real time results obtained to characterize the dynamics of irregular eutectic spacing will be presented. As an example fiber to lamella or plate transition in the Al-Al2Au eutectic system will be discussed. Further, a resolution limit of 25 micron has permitted viewing in real time morphological instability and cellular growth in Al-Au and Al-Ag systems. Simultaneously, a systematic investigation has been carried out to measure interfacial undercooling for Pb-1 wt.% Sn at and near the marginal stability regime. In conjunction with the XTM observations this study attempts to validate existing relationships between undercooling and growth velocity during plane front growth, marginal stability regime, and stable cellular growth.

Delicate Structural Control of Si-SiOx-C Composite via High-Speed Spray Pyrolysis for Li-Ion Battery Anodes.

PubMed

Lee, Seung Jong; Kim, Hye Jin; Hwang, Tae Hoon; Choi, Sunghun; Park, Sung Hyeon; Deniz, Erhan; Jung, Dae Soo; Choi, Jang Wook

2017-03-08

Despite the high theoretical capacity, silicon (Si) anodes in lithium-ion batteries have difficulty in meeting the commercial standards in various aspects. In particular, the huge volume change of Si makes it very challenging to simultaneously achieve high initial Coulombic efficiency (ICE) and long-term cycle life. Herein, we report spray pyrolysis to prepare Si-SiO x composite using an aqueous precursor solution containing Si nanoparticles, citric acid, and sodium hydroxide (NaOH). In the precursor solution, Si nanoparticles are etched by NaOH with the production of [SiO 4 ] 4- . During the dynamic course of spray pyrolysis, [SiO 4 ] 4- transforms to SiO x matrix and citric acid decomposes to carbon surface layer with the assistance of NaOH that serves as a decomposition catalyst. As a result, a Si-SiO x composite, in which Si nanodomains are homogeneously embedded in the SiO x matrix with carbon surface layer, is generated by a one-pot process with a residence time of only 3.5 s in a flow reactor. The optimal composite structure in terms of Si domain size and Si-to-O ratio exhibited excellent electrochemical performance, such as reversible capacity of 1561.9 mAh g -1 at 0.06C rate and ICE of 80.2% and 87.9% capacity retention after 100 cycles at 1C rate.

Formation of Fe2SiO4 thin films on Si substrates and influence of substrate to its thermoelectric transport properties

NASA Astrophysics Data System (ADS)

Choi, Jeongyong; Nguyen, Van Quang; Duong, Van Thiet; Shin, Yooleemi; Duong, Anh Tuan; Cho, Sunglae

2018-03-01

Fe2SiO4 thin films have been grown on n-type, p-type and semi-insulating Si(100) substrates by molecular beam epitaxy. When Fe-O thin films were deposited on Si(100) substrate at 300 °C, the film reacted with Si, resulting in a Fe2SiO4 film because of the high reactivity between Fe and Si. The electrical resistance and Seebeck coefficient of Fe2SiO4 thin films grown were different in different doping states. On n-type and p-type Si(100), the electrical resistance decreased suddenly and increased again at 350 and 250 K, respectively, while on semi-insulating Si(100), it exhibited typical semiconducting resistance behavior. We observed similar crossovers at 350 and 250 K in temperature dependent Seebeck coefficients on n-type and p-type Si(100), respectively. These results suggest that the measured electrical and thermoelectric properties originate from Si substrate.

Elucidating the atomistic mechanisms underpinning plasticity in Li-Si nanostructures

NASA Astrophysics Data System (ADS)

Yan, Xin; Gouissem, Afif; Guduru, Pradeep R.; Sharma, Pradeep

2017-10-01

Amorphous lithium-silicon (a-Li-Si), especially in nanostructure form, is an attractive high-capacity anode material for next-generation Li-ion batteries. During cycles of charging and discharging, a-Li-Si undergoes substantive inelastic deformation and exhibits microcracking. The mechanical response to repeated lithiation-delithiation eventually results in the loss of electrical contact and consequent decrease of capacity, thus underscoring the importance of studying the plasticity of a-Li-Si nanostructures. In recent years, a variety of phenomenological continuum theories have been introduced that purport to model plasticity and the electro-chemo-mechanical behavior of a-Li-Si. Unfortunately, the micromechanisms and atomistic considerations underlying plasticity in Li-Si material are not yet fully understood and this impedes the development of physics-based constitutive models. Conventional molecular dynamics, although extensively used to study this material, is grossly inadequate to resolve this matter. As is well known, conventional molecular dynamics simulations can only address phenomena with characteristic time scales of (at most) a microsecond. Accordingly, in such simulations, the mechanical behavior is deduced under conditions of very high strain rates (usually, 108s-1 or even higher). This limitation severely impacts a realistic assessment of rate-dependent effects. In this work, we attempt to circumvent the time-scale bottleneck of conventional molecular dynamics and provide novel insights into the mechanisms underpinning plastic deformation of Li-Si nanostructures. We utilize an approach that allows imposition of slow strain rates and involves the employment of a new and recently developed potential energy surface sampling method—the so-called autonomous basin climbing—to identify the local minima in the potential energy surface. Combined with other techniques, such as nudged elastic band, kinetic Monte Carlo and transition state theory, we assess the behavior of a-Li-Si nanostructures under tensile strain rates ranging from 103 to 108s-1 . We find significant differences in the deformation behavior across the strain rates and discover that the well-known shear transformation zones (widely discussed in the context of amorphous materials) are formed by a "diffusionlike" process. We identify the rotation of the shear transformation zone as a key dissipation mechanism.

Molecular dynamics study of interfacial thermal transport between silicene and substrates.

PubMed

Zhang, Jingchao; Hong, Yang; Tong, Zhen; Xiao, Zhihuai; Bao, Hua; Yue, Yanan

2015-10-07

In this work, the interfacial thermal transport across silicene and various substrates, i.e., crystalline silicon (c-Si), amorphous silicon (a-Si), crystalline silica (c-SiO2) and amorphous silica (a-SiO2) are explored by classical molecular dynamics (MD) simulations. A transient pulsed heating technique is applied in this work to characterize the interfacial thermal resistance in all hybrid systems. It is reported that the interfacial thermal resistances between silicene and all substrates decrease nearly 40% with temperature from 100 K to 400 K, which is due to the enhanced phonon couplings from the anharmonicity effect. Analysis of phonon power spectra of all systems is performed to interpret simulation results. Contradictory to the traditional thought that amorphous structures tend to have poor thermal transport capabilities due to the disordered atomic configurations, it is calculated that amorphous silicon and silica substrates facilitate the interfacial thermal transport compared with their crystalline structures. Besides, the coupling effect from substrates can improve the interface thermal transport up to 43.5% for coupling strengths χ from 1.0 to 2.0. Our results provide fundamental knowledge and rational guidelines for the design and development of the next-generation silicene-based nanoelectronics and thermal interface materials.

The properties of Ge quantum rings deposited by pulsed laser deposition.

PubMed

Ma, Xiying

2010-07-01

SiGe ring-shape nanostructures have attracted much research interest because of the interesting morphology, mechanical, and electromagnetic properties. In this paper, we present the planar Ge nanorings with well-defined sharp edges self-assembled on Si (100) matrix prepared with pulsed laser deposition (PLD) in the present of Ar gas. The transforming mechanism of the droplets is discussed, which a dynamic deformation model has been developed to simulate the self-transforming process of the droplets. The rings were found to be formed in two steps: from droplets to cones and from cones to rings via an elastic self-deforming process, which were likely to be driven by the lateral strain of Ge/Si layers and the surface tension.

The localization and crystallographic dependence of Si suboxide species at the SiO2/Si interface

NASA Technical Reports Server (NTRS)

Grunthaner, P. J.; Hecht, M. H.; Grunthaner, F. J.; Johnson, N. M.

1987-01-01

X-ray photoemission spectroscopy has been used to examine the localization and crystallographic dependence of Si(+), Si(2+), and Si(3+) suboxide states at the SiO2/Si interface for (100)and (111)-oriented substrates with gate oxide quality thermal oxides. The Si(+) and Si(2+) states are localized within 6-10 A of the interface while the Si(3+) state extends about 30 A into the bulk SiO2. The distribution of Si(+) and Si(2+) states shows a strong crystallographic dependence with Si(2+) dominating on (100) substrates and Si(+) dominating on (111) substrates. This crystallographic dependence is anticipated from consideration of ideal unreconstructed (100) and (111) Si surfaces, suggesting that (1) the Si(+) and Si(2+) states are localized immediately within the first monolayer at the interface and (2) the first few monolayers of substrate Si atoms are not significantly displaced from the bulk. The total number of suboxide states observed at the SiO2/Si interface corresponds to 94 and 83 percent of a monolayer for these (100) and (111) substrates, respectively.

Density functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfaces.

PubMed

Ceriotti, M; Montalenti, F; Bernasconi, M

2012-03-14

By means of first-principles calculations we studied the decomposition pathways of SiH₃ on Ge(100) and of GeH₃ on Si(100), of interest for the growth of crystalline SiGe alloys and Si/Ge heterostructures by plasma-enhanced chemical vapor deposition. We also investigated H desorption via reaction of two adsorbed SiH₂/GeH₂ species (β₂ reaction) or via Eley-Rideal abstraction of surface H atoms from the impinging SiH₃ and GeH₃ species. The calculated activation energies for the different processes suggest that the rate-limiting step for the growth of Si/Ge systems is still the β₂ reaction of two SiH₂ as in the growth of crystalline Si.

Subcritical crack growth in SiNx thin-film barriers studied by electro-mechanical two-point bending

NASA Astrophysics Data System (ADS)

Guan, Qingling; Laven, Jozua; Bouten, Piet C. P.; de With, Gijsbertus

2013-06-01

Mechanical failure resulting from subcritical crack growth in the SiNx inorganic barrier layer applied on a flexible multilayer structure was studied by an electro-mechanical two-point bending method. A 10 nm conducting tin-doped indium oxide layer was sputtered as an electrical probe to monitor the subcritical crack growth in the 150 nm dielectric SiNx layer carried by a polyethylene naphthalate substrate. In the electro-mechanical two-point bending test, dynamic and static loads were applied to investigate the crack propagation in the barrier layer. As consequence of using two loading modes, the characteristic failure strain and failure time could be determined. The failure probability distribution of strain and lifetime under each loading condition was described by Weibull statistics. In this study, results from the tests in dynamic and static loading modes were linked by a power law description to determine the critical failure over a range of conditions. The fatigue parameter n from the power law reduces greatly from 70 to 31 upon correcting for internal strain. The testing method and analysis tool as described in the paper can be used to understand the limit of thin-film barriers in terms of their mechanical properties.

The Stellar Imager (SI) "Vision Mission"

NASA Technical Reports Server (NTRS)

Carpenter, K.; Danchi, W.; Leitner, J.; Liu, A.; Lyon, R.; Mazzuca, L.; Moe, R.; Chenette, D.; Schrijver, C.; Kilston, S.

2004-01-01

The Stellar Imager (SI) is a Vision Mission in the Sun-Earth Connection (SEC) NASA Roadmap, conceived for the purpose of understanding the effects of stellar magnetic fields, the dynamos that generate them, and the internal structure and dynamics of the stars in which they exist. The ultimate goal is to achieve the best possible forecasting of solar/stellar activity and its impact on life in the Universe. The science goals of SI require an ultra-high angular resolution, at ultraviolet wavelengths, on the order of 100 micro-arcsec and baselines on the order of 0.5 km. These requirements call for a large, multi-spacecraft (greater than 20) imaging interferometer, utilizing precision formation flying in a stable environment, such as in a Lissajous orbit around the Sun-Earth L2 point. In this paper, we present an update on the ongoing SI mission concept and technology development studies.

The Stellar Imager (SI) "Vision Mission"

NASA Technical Reports Server (NTRS)

Carpenter, K.; Danchi, W.; Leitner, J.; Liu, A.; Lyon, R.; Mazzuca, L.; Moe, R.; Chenette, D.; Schrijver, C.; Kilston, S.

2004-01-01

The Stellar Imager (SI) is a Vision Mission in the Sun-Earth Connection (SEC) NASA Roadmap, conceived for the purpose of understanding the effects of stellar magnetic fields, the dynamos that generate them, and the internal structure and dynamics of the stars in which they exist. The ultimate goal is to achieve the best possible forecasting of solar/stellar activity and its impact on life in the Universe. The science goals of SI require an ultra-high angular resolution, a t ultraviolet wavelengths, on the order of 100 micro-arcsec and baselines on the order of 0.5 km. These requirements call for a large, multi-spacecraft (>20) imaging interferometer, utilizing precision formation flying in a stable environment, such as in a Lissajous orbit around the Sun-Earth L2 point. In this paper, we present an update on the ongoing SI mission concept and technology development studies.

Demonstration of SiC Pressure Sensors at 750 C

NASA Technical Reports Server (NTRS)

Okojie, Robert S.; Lukco, Dorothy; Nguyen, Vu; Savrun, Ender

2014-01-01

We report the first demonstration of MEMS-based 4H-SiC piezoresistive pressure sensors tested at 750 C and in the process confirmed the existence of strain sensitivity recovery with increasing temperature above 400 C, eventually achieving near or up to 100% of the room temperature values at 750 C. This strain sensitivity recovery phenomenon in 4H-SiC is uncharacteristic of the well-known monotonic decrease in strain sensitivity with increasing temperature in silicon piezoresistors. For the three sensors tested, the room temperature full-scale output (FSO) at 200 psig ranged between 29 and 36 mV. Although the FSO at 400 C dropped by about 60%, full recovery was achieved at 750 C. This result will allow the operation of SiC pressure sensors at higher temperatures, thereby permitting deeper insertion into the engine combustion chamber to improve the accurate quantification of combustor dynamics.

Crystal growth kinetics in undercooled melts of pure Ge, Si and Ge-Si alloys.

PubMed

Herlach, Dieter M; Simons, Daniel; Pichon, Pierre-Yves

2018-02-28

We report on measurements of crystal growth dynamics in semiconducting pure Ge and pure Si melts and in Ge 100- x Si x ( x  = 25, 50, 75) alloy melts as a function of undercooling. Electromagnetic levitation techniques are applied to undercool the samples in a containerless way. The growth velocity is measured by the utilization of a high-speed camera technique over an extended range of undercooling. Solidified samples are examined with respect to their microstructure by scanning electron microscopic investigations. We analyse the experimental results of crystal growth kinetics as a function of undercooling within the sharp interface theory developed by Peter Galenko. Transitions of the atomic attachment kinetics are found at large undercoolings, from faceted growth to dendrite growth.This article is part of the theme issue 'From atomistic interfaces to dendritic patterns'. © 2018 The Author(s).

Significant thermal conductivity reduction of silicon nanowire forests through discrete surface doping of germanium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Ying; Hong, Guo; Raja, Shyamprasad N.

2015-03-02

Silicon nanowires (SiNWs) are promising materials for the realization of highly-efficient and cost effective thermoelectric devices. Reduction of the thermal conductivity of such materials is a necessary and viable pathway to achieve sufficiently high thermoelectric efficiencies, which are inversely proportional to the thermal conductivity. In this article, vertically aligned forests of SiNW and germanium (Ge)-doped SiNW with diameters around 100 nm have been fabricated, and their thermal conductivity has been measured. The results show that discrete surface doping of Ge on SiNW arrays can lead to 23% reduction in thermal conductivity at room temperature compared to uncoated SiNWs. Such reduction canmore » be further enhanced to 44% following a thermal annealing step. By analyzing the binding energy changes of Ge-3d and Si-2p using X-ray photoelectron spectroscopy, we demonstrate that surface doped Ge interacts strongly with Si, enhancing phonon scattering at the Si-Ge interface as has also been shown in non-equilibrium molecular dynamics studies of single nanowires. Overall, our results suggest a viable pathway to improve the energy conversion efficiency of nanowire-forest thermoelectric nanomaterials.« less

Electron mobility enhancement in epitaxial multilayer Si-Si/1-x/Ge/x/ alloy films on /100/Si

NASA Technical Reports Server (NTRS)

Manasevit, H. M.; Gergis, I. S.; Jones, A. B.

1982-01-01

Enhanced Hall-effect mobilities have been measured in epitaxial (100)-oriented multilayer n-type Si/Si(1-x)Ge(x) films grown on single-crystal Si substrates by chemical vapor deposition. Mobilities from 20 to 40% higher than that of epitaxial Si layers and about 100% higher than that of epitaxial SiGe layers on Si were measured for the doping range 8 x 10 to the 15th to 10 to the 17th/cu cm. No mobility enhancement was observed in multilayer p-type (100) films and n-type (111)-oriented films. Experimental studies included the effects upon film properties of layer composition, total film thickness, doping concentrations, layer thickness, and growth temperature.

Growth and characterization of textured well-faceted ZnO on planar Si(100), planar Si(111), and textured Si(100) substrates for solar cell applications.

PubMed

Tsai, Chin-Yi; Lai, Jyong-Di; Feng, Shih-Wei; Huang, Chien-Jung; Chen, Chien-Hsun; Yang, Fann-Wei; Wang, Hsiang-Chen; Tu, Li-Wei

2017-01-01

In this work, textured, well-faceted ZnO materials grown on planar Si(100), planar Si(111), and textured Si(100) substrates by low-pressure chemical vapor deposition (LPCVD) were analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and cathode luminescence (CL) measurements. The results show that ZnO grown on planar Si(100), planar Si(111), and textured Si(100) substrates favor the growth of ZnO(110) ridge-like, ZnO(002) pyramid-like, and ZnO(101) pyramidal-tip structures, respectively. This could be attributed to the constraints of the lattice mismatch between the ZnO and Si unit cells. The average grain size of ZnO on the planar Si(100) substrate is slightly larger than that on the planar Si(111) substrate, while both of them are much larger than that on the textured Si(100) substrate. The average grain sizes (about 10-50 nm) of the ZnO grown on the different silicon substrates decreases with the increase of their strains. These results are shown to strongly correlate with the results from the SEM, AFM, and CL as well. The reflectance spectra of these three samples show that the antireflection function provided by theses samples mostly results from the nanometer-scaled texture of the ZnO films, while the micrometer-scaled texture of the Si substrate has a limited contribution. The results of this work provide important information for optimized growth of textured and well-faceted ZnO grown on wafer-based silicon solar cells and can be utilized for efficiency enhancement and optimization of device materials and structures, such as heterojunction with intrinsic thin layer (HIT) solar cells.

Structural, electronic, and vibrational properties of high-density amorphous silicon: a first-principles molecular-dynamics study.

PubMed

Morishita, Tetsuya

2009-05-21

We report a first-principles study of the structural, electronic, and dynamical properties of high-density amorphous (HDA) silicon, which was found to be formed by pressurizing low-density amorphous (LDA) silicon (a normal amorphous Si) [T. Morishita, Phys. Rev. Lett. 93, 055503 (2004); P. F. McMillan, M. Wilson, D. Daisenberger, and D. Machon, Nature Mater. 4, 680 (2005)]. Striking structural differences between HDA and LDA are revealed. The LDA structure holds a tetrahedral network, while the HDA structure contains a highly distorted tetrahedral network. The fifth neighboring atom in HDA tends to be located at an interstitial position of a distorted tetrahedron composed of the first four neighboring atoms. Consequently, the coordination number of HDA is calculated to be approximately 5 unlike that of LDA. The electronic density of state (EDOS) shows that HDA is metallic, which is consistent with a recent experimental measurement of the electronic resistance of HDA Si. We find from local EDOS that highly distorted tetrahedral configurations enhance the metallic nature of HDA. The vibrational density of state (VDOS) also reflects the structural differences between HDA and LDA. Some of the characteristic vibrational modes of LDA are dematerialized in HDA, indicating the degradation of covalent bonds. The overall profile of the VDOS for HDA is found to be an intermediate between that for LDA and liquid Si under pressure (high-density liquid Si).

Thermal-mechanical coupling effect on initial stage oxidation of Si(100) surface

NASA Astrophysics Data System (ADS)

Sun, Yu; Liu, Yilun; Chen, Xuefeng; Zhai, Zhi; Izumi, Satoshi

2018-04-01

The initial stage oxidation of biaxially strained Si(100) at temperatures ranging from 300 K to 1200 K has been investigated by Reactive Force Field Molecular Dynamics simulations. We reported that the oxidation process involving the reaction rate and the amount of absorbed O atoms could be enhanced by the coupling effect of higher temperatures and larger external tension. By fitting the simulation results, the relationship between absorbed oxygen and the coupling of temperature and strain was obtained. In probing the mechanism, we observed that there was a ballistic transport of O atoms, displaying an enhancement of inward penetration by external tension. Since such an inward transport was favored by thermal actuation, more O atoms penetrated into deeper layers when the 9% strained Si oxidized at 1200 K. Moreover, the evolution of stress in the surface region during the oxidation process was discussed, as well as the related oxide structure and the film quality. These present results may provide a way to understand the thermally-mechanically coupled chemical reactions and propose an effective approach to optimize microscale component processing in the electronic field.

Fluorescent Silicon Nanorods-Based Ratiometric Sensors for Long-Term and Real-Time Measurements of Intracellular pH in Live Cells.

PubMed

Chu, Binbin; Song, Bin; Ji, Xiaoyuan; Su, Yuanyuan; Wang, Houyu; He, Yao

2017-11-21

Long-term and real-time investigation of the dynamic process of pH i changes is critically significant for understanding the related pathogenesis of diseases and the design of intracellular drug delivery systems. Herein, we present a one-step synthetic strategy to construct ratiometric pH sensors, which are made of europium (Eu)-doped one-dimensional silicon nanorods (Eu@SiNRs). The as-prepared Eu@SiNRs have distinct emission maxima peaks at 470 and 620 nm under 405 nm excitation. Of particular note, the fluorescence emission intensity at 470 nm decreases along with the increase of pH, while the one at 620 nm is nearly unaffected by pH changes, making Eu@SiNRs a feasible probe for pH sensing ratiometrically. Moreover, Eu@SiNRs are found to be responsive to a broad pH range (ca. 3-9), biocompatible (e.g., ∼100% of cell viability during 24 h treatment) and photostable (e.g., ∼10% loss of intensity after 40 min continuous UV irradiation). Taking advantages of these merits, we employ Eu@SiNRs for the visualization of the cytoplasmic alkalization process mediated by nigericin in living cells, for around 30 min without interruption, revealing important information for understanding the dynamic process of pH i fluctuations.

iTRAQ-based proteomic analysis reveals the mechanisms of silicon-mediated cadmium tolerance in rice (Oryza sativa) cells.

PubMed

Ma, Jie; Sheng, Huachun; Li, Xiuli; Wang, Lijun

2016-07-01

Silicon (Si) can alleviate cadmium (Cd) stress in rice (Oryza sativa) plants, however, the understanding of the molecular mechanisms at the single-cell level remains limited. To address these questions, we investigated suspension cells of rice cultured in the dark environment in the absence and presence of Si with either short- (12 h) or long-term (5 d) Cd treatments using a combination of isobaric tags for relative and absolute quantitation (iTRAQ), fluorescent staining, and inductively coupled plasma mass spectroscopy (ICP-MS). We identified 100 proteins differentially regulated by Si under the short- or long-term Cd stress. 70% of these proteins were down-regulated, suggesting that Si may improve protein use efficiency by maintaining cells in the normal physiological status. Furthermore, we showed two different mechanisms for Si-mediated Cd tolerance. Under the short-term Cd stress, the Si-modified cell walls inhibited the uptake of Cd ions into cells and consequently reduced the expressions of glycosidase, cell surface non-specific lipid-transfer proteins (nsLTPs), and several stress-related proteins. Under the long-term Cd stress, the amount of Cd in the cytoplasm in Si-accumulating (+Si) cells was decreased by compartmentation of Cd into vacuoles, thus leading to a lower expression of glutathione S-transferases (GST). These results provide protein-level insights into the Si-mediated Cd detoxification in rice single cells. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

Rapid misfit dislocation characterization in heteroepitaxial III-V/Si thin films by electron channeling contrast imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carnevale, Santino D.; Deitz, Julia I.; Carlin, John A.

Electron channeling contrast imaging (ECCI) is used to characterize misfit dislocations in heteroepitaxial layers of GaP grown on Si(100) substrates. Electron channeling patterns serve as a guide to tilt and rotate sample orientation so that imaging can occur under specific diffraction conditions. This leads to the selective contrast of misfit dislocations depending on imaging conditions, confirmed by dynamical simulations, similar to using standard invisibility criteria in transmission electron microscopy (TEM). The onset and evolution of misfit dislocations in GaP films with varying thicknesses (30 to 250 nm) are studied. This application simultaneously reveals interesting information about misfit dislocations in GaP/Si layersmore » and demonstrates a specific measurement for which ECCI is preferable versus traditional plan-view TEM.« less

Development of graphene process control by industrial optical spectroscopy setup

NASA Astrophysics Data System (ADS)

Fursenko, O.; Lukosius, M.; Lupina, G.; Bauer, J.; Villringer, C.; Mai, A.

2017-06-01

The successful integration of graphene into microelectronic devices depends strongly on the availability of fast and nondestructive characterization methods of graphene grown by CVD on large diameter production wafers [1-3] which are in the interest of the semiconductor industry. Here, a high-throughput optical metrology method for measuring the thickness and uniformity of large-area graphene sheets is demonstrated. The method is based on the combination of spectroscopic ellipsometry and normal incidence reflectometry in UV-Vis wavelength range (200-800 nm) with small light spots ( 30 μm2) realized in wafer optical metrology tool. In the first step graphene layers were transferred on a SiO2/Si substrate in order to determine the optical constants of graphene by the combination of multi-angle ellipsometry and reflectometry. Then these data were used for the development of a process control recipe of CVD graphene on 200 mm Ge(100)/Si(100) wafers. The graphene layer quality was additionally monitored by Raman spectroscopy. Atomic force microscopy measurements were performed for micro topography evaluation. In consequence, a robust recipe for unambiguous thickness monitoring of all components of a multilayer film stack, including graphene, surface residuals or interface layer underneath graphene and surface roughness is developed. Optical monitoring of graphene thickness uniformity over a wafer has shown an excellent long term stability (s=0.004 nm) regardless of the growth of interfacial GeO2 and surface roughness. The sensitivity of the optical identification of graphene during microelectronic processing was evaluated. This optical metrology technique with combined data collection exhibit a fast and highly precise method allowing one an unambiguous detection of graphene after transferring as well as after the CVD deposition process on a Ge(100)/Si(100) wafer. This approach is well suited for industrial applications due to its repeatability and flexibility.

Solar System Chaos and its climatic and biogeochemical consequences

NASA Astrophysics Data System (ADS)

Ikeda, M.; Tada, R.; Ozaki, K.; Olsen, P. E.

2017-12-01

Insolation changes caused by changes in Earth's orbital parameters are the main driver of climatic variations, whose pace has been used for astronomically-calibrated geologic time scales of high accuracy to understand Earth system dynamics. However, the astrophysical models beyond several tens of million years ago have large uncertainty due to chaotic behavior of the Solar System, and its impact on amplitude modulation of multi-Myr-scale orbital variations and consequent climate changes has become the subject of debate. Here we show the geologic constraints on the past chaotic behavior of orbital cycles from early Mesozoic monsoon-related records; the 30-Myr-long lake level records of the lacustrine sequence in Newark-Hartford basins (North America) and 70-Myr-long biogenic silica (BSi) burial flux record of pelagic deep-sea chert sequence in Inuyama area (Japan). BSi burial flux of chert could be considered as proportional to the dissolved Si (DSi) input from chemical weathering on timescales longer than the residence time of DSi ( 100 kyr), because chert could represent a major sink for oceanic dissolved silica (Ikeda et al., 2017).These geologic records show multi-Myr cycles with similar frequency modulations of eccentricity solution of astronomical model La2010d (Laskar et al., 2011) compared with other astronomical solutions, but not exactly same. Our geologic records provide convincing evidence for the past chaotic dynamical behaviour of the Solar System and new and challenging additional constraints for astrophysical models. In addition, we find that ˜10 Myr cycle detected in monsoon proxies and their amplitude modulation of ˜2 Myr cycle may be related to the amplitude modulation of ˜2 Myr eccentricity cycle through non-linear process(es) of Earth system dynamics, suggesting possible impact of the chaotic behavior of Solar planets on climate change. Further impact of multi-Myr orbital cycles on global biogeochemical cycles will be discussed.

Band alignments at Ga2O3 heterojunction interfaces with Si and Ge

NASA Astrophysics Data System (ADS)

Gibbon, J. T.; Jones, L.; Roberts, J. W.; Althobaiti, M.; Chalker, P. R.; Mitrovic, Ivona Z.; Dhanak, V. R.

2018-06-01

Amorphous Ga2O3 thin films were deposited on p-type (111) and (100) surfaces of silicon and (100) germanium by atomic layer deposition (ALD). X-ray photoelectron spectroscopy (XPS) was used to investigate the band alignments at the interfaces using the Kraut Method. The valence band offsets were determined to be 3.49± 0.08 eV and 3.47± 0.08 eV with Si(111) and Si(100) respectively and 3.51eV± 0.08 eV with Ge(100). Inverse photoemission spectroscopy (IPES) was used to investigate the conduction band of a thick Ga2O3 film and the band gap of the film was determined to be 4.63±0.14 eV. The conduction band offsets were found to be 0.03 eV and 0.05eV with Si(111) and Si(100) respectively, and 0.45eV with Ge(100). The results indicate that the heterojunctions of Ga2O3 with Si(100), Si(111) and Ge(100) are all type I heterojunctions.

High dynamic range pixel architecture for advanced diagnostic medical x-ray imaging applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Izadi, Mohammad Hadi; Karim, Karim S.

2006-05-15

The most widely used architecture in large-area amorphous silicon (a-Si) flat panel imagers is a passive pixel sensor (PPS), which consists of a detector and a readout switch. While the PPS has the advantage of being compact and amenable toward high-resolution imaging, small PPS output signals are swamped by external column charge amplifier and data line thermal noise, which reduce the minimum readable sensor input signal. In contrast to PPS circuits, on-pixel amplifiers in a-Si technology reduce readout noise to levels that can meet even the stringent requirements for low noise digital x-ray fluoroscopy (<1000 noise electrons). However, larger voltagesmore » at the pixel input cause the output of the amplified pixel to become nonlinear thus reducing the dynamic range. We reported a hybrid amplified pixel architecture based on a combination of PPS and amplified pixel designs that, in addition to low noise performance, also resulted in large-signal linearity and consequently higher dynamic range [K. S. Karim et al., Proc. SPIE 5368, 657 (2004)]. The additional benefit in large-signal linearity, however, came at the cost of an additional pixel transistor. We present an amplified pixel design that achieves the goals of low noise performance and large-signal linearity without the need for an additional pixel transistor. Theoretical calculations and simulation results for noise indicate the applicability of the amplified a-Si pixel architecture for high dynamic range, medical x-ray imaging applications that require switching between low exposure, real-time fluoroscopy and high-exposure radiography.« less

Biogenic silicon pools in terrestrial biogeosystems and their significance for silicon cycling

NASA Astrophysics Data System (ADS)

Puppe, Daniel; Höhn, Axel; Kaczorek, Danuta; Ehrmann, Otto; Wanner, Manfred; Sommer, Michael

2017-04-01

On a global scale the biogeochemical cycles of silicon (Si) and carbon are connected by weathering processes and fluxes of dissolved Si from terrestrial to aquatic ecosystems. Various pro- and eukaryotic organisms are evolutionarily adapted to synthesize amorphous siliceous structures (biosilicification). In soils these siliceous structures can accumulate and form biogenic Si (BSi) pools, whereat it can be differentiated between phytogenic (BSi synthesized by plants), zoogenic (BSi synthesized by sponges), microbial (BSi synthesized by bacteria and fungi) and protistic (BSi synthesized by unicellular organisms) pools. Accumulation and recycling of BSi in terrestrial biogeosystems influence fluxes of dissolved Si from the continents to the oceans, thus act as a filter in the global Si cycle. As research has primarily been focused on the role of phytogenic Si pools until now there is only little information available on the other BSi pools in soils. In order to fill this knowledge gap we examined different BSi pools in soils of initial and forested terrestrial biogeosystems using modern microscopical methods (laser scanning and scanning electron microscopy). In forested biogeosystems we further analyzed abiotic (e.g. soil pH) and biotic (earthworm biomasses) influencing factors on BSi pool size, while samples of initial biogeosystems were used to analyze spatiotemporal BSi pool dynamics. We found that especially biotic interactions are important factors for protistic BSi pools (represented by testate amoebae) and that phytogenic Si pools are about several 100-times bigger than protistic (testate amoebae) Si pools (0.2-4.7 kg Si ha-1). However, annual biosilicification rates of testate amoebae (up to 80 kg Si ha-1) are comparable to or even can exceed annual silicon uptake by trees. Our studies of initial biogeosystems revealed that BSi pool sizes increased markedly within a relatively short time span (<10 years) of ecosystem development. Differences in quantities, dynamics and resistibility against dissolution of various BSi pools indicated their possibility to influence biogeochemical Si cycling relatively rapid (protistic Si pools) or slow (zoogenic Si pools). In conclusion, our results are crucial for a detailed understanding and a more precise modeling of Si fluxes from terrestrial to aquatic ecosystems.

Detection of intra-brain cytoplasmic 1 (BC1) long noncoding RNA using graphene oxide-fluorescence beacon detector.

PubMed

Kim, Mee Young; Hwang, Do Won; Li, Fangyuan; Choi, Yoori; Byun, Jung Woo; Kim, Dongho; Kim, Jee-Eun; Char, Kookheon; Lee, Dong Soo

2016-03-21

Detection of cellular expression of long noncoding RNAs (lncRNAs) was elusive due to the ambiguity of exposure of their reactive sequences associated with their secondary/tertiary structures and dynamic binding of proteins around lncRNAs. Herein, we developed graphene-based detection techniques exploiting the quenching capability of graphene oxide (GO) flakes for fluorescent dye (FAM)-labeled single-stranded siRNAs and consequent un-quenching by their detachment from GO by matching lncRNAs. A brain cytoplasmic 1 (BC1) lncRNA expression was significantly decreased by a siRNA, siBC1-1. GO quenched the FAM-labeled siBC1-1 peptide nucleic acid (PNA) probe, and this quenching was recovered by BC1. While FAM-siBC1-1-PNA-GO complex transfected spontaneously mouse or human neural stem cells, fluorescence was recovered only in mouse cells having high BC1 expression. Fluorescent dye-labeled single-stranded RNA-GO probe could detect the reactive exposed nucleic acid sequence of a cytoplasmic lncRNA expressing in the cytoplasm, which strategy can be used as a detection method of lncRNA expression.

Magnetic ageing study of high and medium permeability nanocrystalline FeSiCuNbB alloys

NASA Astrophysics Data System (ADS)

Lekdim, Atef; Morel, Laurent; Raulet, Marie-Ange

2017-04-01

increasing the energy efficiency is one of the most important issues in modern power electronic systems. In aircraft applications, the energy efficiency must be associated with a maximum reduction of mass and volume, so a high components compactness. A consequence from this compactness is the increase of operating temperature. Thus, the magnetic materials used in these applications, have to work at high temperature. It raises the question of the thermal ageing problem. The reliability of these components operating at this condition becomes a real problem which deserves serious interest. Our work takes part in this context by studying the magnetic material thermal ageing. The nanocrystalline materials are getting more and more used in power electronic applications. Main advantages of nanocrystalline materials compared to ferrite are: high saturation flux density of almost 1.25 T and low dynamic losses for low and medium frequencies. The nanocrystalline Fe73.5Cu1Nb3Si15.5B7 alloys have been chosen in our aging study. This study is based on monitoring the magnetic characteristics for several continuous thermal ageing (100, 150, 200 and 240 °C). An important experimental work of magnetic characterization is being done following a specific monitoring protocol. Elsewhere, X-Ray Diffraction and magnetostriction measurements were carried out to support the study of the anisotropy energies evolution with ageing. This latter is discussed in this paper to explain and give hypothesis about the ageing phenomena.

Kapitza resistance of Si/SiO2 interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bowen Deng; Aleksandr Chenatynskiy; Marat Khafizov

2014-02-01

A phonon wave packet dynamics method is used to characterize the Kapitza resistance of a Si/SiO2 interface in a Si/SiO2/Si heterostructure. By varying the thickness of SiO2 layer sandwiched between two Si layers, we determine the Kapitza resistance for the Si/SiO2 interface from both wave packet dynamics and a direct, non-equilibrium molecular dynamics approach. The good agreement between the two methods indicates that they have each captured the anharmonic phonon scatterings at the interface. Moreover, detailed analysis provides insights as to how individual phonon mode scatters at the interface and their contribution to the Kapitza resistance.

Hollow carbon nanospheres/silicon/alumina core-shell film as an anode for lithium-ion batteries

PubMed Central

Li, Bing; Yao, Fei; Bae, Jung Jun; Chang, Jian; Zamfir, Mihai Robert; Le, Duc Toan; Pham, Duy Tho; Yue, Hongyan; Lee, Young Hee

2015-01-01

Hollow carbon nanospheres/silicon/alumina (CNS/Si/Al2O3) core-shell films obtained by the deposition of Si and Al2O3 on hollow CNS interconnected films are used as the anode materials for lithium-ion batteries. The hollow CNS film acts as a three dimensional conductive substrate and provides void space for silicon volume expansion during electrochemical cycling. The Al2O3 thin layer is beneficial to the reduction of solid-electrolyte interphase (SEI) formation. Moreover, as-designed structure holds the robust surface-to-surface contact between Si and CNSs, which facilitates the fast electron transport. As a consequence, the electrode exhibits high specific capacity and remarkable capacity retention simultaneously: 1560 mA h g−1 after 100 cycles at a current density of 1 A g−1 with the capacity retention of 85% and an average decay rate of 0.16% per cycle. The superior battery properties are further confirmed by cyclic voltammetry (CV) and impedance measurement. PMID:25564245

Crystal growth kinetics in undercooled melts of pure Ge, Si and Ge-Si alloys

NASA Astrophysics Data System (ADS)

Herlach, Dieter M.; Simons, Daniel; Pichon, Pierre-Yves

2018-01-01

We report on measurements of crystal growth dynamics in semiconducting pure Ge and pure Si melts and in Ge100-xSix (x = 25, 50, 75) alloy melts as a function of undercooling. Electromagnetic levitation techniques are applied to undercool the samples in a containerless way. The growth velocity is measured by the utilization of a high-speed camera technique over an extended range of undercooling. Solidified samples are examined with respect to their microstructure by scanning electron microscopic investigations. We analyse the experimental results of crystal growth kinetics as a function of undercooling within the sharp interface theory developed by Peter Galenko. Transitions of the atomic attachment kinetics are found at large undercoolings, from faceted growth to dendrite growth. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

Electron elevator: Excitations across the band gap via a dynamical gap state

DOE PAGES

Lim, Anthony; Foulkes, W. M. C.; Horsfield, A. P.; ...

2016-01-27

We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. Lastly, an analysis of the time dependence of the transition rates using coupled linear rate equations enables one of themore » excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.« less

Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State.

PubMed

Lim, A; Foulkes, W M C; Horsfield, A P; Mason, D R; Schleife, A; Draeger, E W; Correa, A A

2016-01-29

We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. An analysis of the time dependence of the transition rates using coupled linear rate equations enables one of the excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.

AES and LEED study of the zinc blende SiC(100) surface

NASA Technical Reports Server (NTRS)

Dayan, M.

1985-01-01

Auger and LEED measurements have been carried out on the (100) surface of zinc blende SiC. Two different phases of the clean surface, in addition to two kinds of oxygen-covered surfaces, have been obtained, identified, and discussed. In the oxygen-covered surface, the oxygen is bonded to the Si. The carbon-rich phase is reconstructed (2 x 1), similar to the (100) clean surfaces of Si, Ge, and diamond. The Si-topped surface is reconstructed. A model of alternating Si dimers is suggested for this surface.

Role of bulk and Nanosized SiO2 to overcome salt stress during Fenugreek germination (Trigonella foenum- graceum L.).

PubMed

Ivani, Reihane; Sanaei Nejad, Seyed Hossein; Ghahraman, Bijan; Astaraei, Ali Reza; Feizi, Hassan

2018-04-05

The effects of bulk and Nanosized SiO 2 on seed germination and seedling growth indices of fenugreek under salinity stress were studied in the College of Agriculture, Ferdowsi University of Mashhad, Iran, in 2013. The experimental treatments included 4 levels of salinity stress (0, 50, 100 and 150 mM), 2 concentrations of bulk (50 and 100 ppm), 2 concentrations of nanosized SiO 2 (50 and 100 ppm), and control (without any SiO 2 types). Seedling growth attributes significantly improved when bulk and nanosized SiO 2 concentrations applied singly or with different levels of salt stress. However, they significantly declined with salt application. The adverse effects of salt on shoot, root and seedling lengths were alleviated by application of 50 ppm nanosized SiO 2 treatment. Under salt stress condition, addition of 50 and 100 ppm nanosized SiO 2 to fenugreek seeds increased shoot, root and seedling dry weights as compared to bulk SiO 2 concentrations and control treatments, though 50 ppm nanosized SiO 2 was more effective than 100 ppm nanosized SiO 2 application. It was concluded that nanosized SiO 2 improves growth attributes of fenugreek and mitigate adverse effects of salt stress.

Silicon-on-insulator with hybrid orientations for heterogeneous integration of GaN on Si (100) substrate

NASA Astrophysics Data System (ADS)

Zhang, Runchun; Zhao, Beiji; Huang, Kai; You, Tiangui; Jia, Qi; Lin, Jiajie; Zhang, Shibin; Yan, Youquan; Yi, Ailun; Zhou, Min; Ou, Xin

2018-05-01

Heterogeneous integration of materials pave a new way for the development of the microsystem with miniaturization and complex functionalities. Two types of hybrid silicon on insulator (SOI) structures, i.e., Si (100)-on-Si (111) and Si (111)-on-Si (100), were prepared by the smart-cut technique, which is consist of ion-slicing and wafer bonding. The precise calculation of the lattice strain of the transferred films without the epitaxial matching relationship to the substrate was demonstrated based on X-ray diffraction (XRD) measurements. The XRD and Raman measurement results suggest that the transferred films possess single crystalline quality. With a chemical mechanical polishing (CMP) process, the surface roughness of the transferred thin films can be reduced from 5.57 nm to 0.30 nm. The 4-inch GaN thin film epitaxially grown on the as-prepared hybrid SOI of Si (111)-on-Si (100) by metalorganic chemical vapor deposition (MOCVD) is of improved quality with a full width at half maximum (FWHM) of 672.54 arcsec extracted from the XRD rocking curve and small surface roughness of 0.40 nm. The wafer-scale GaN on Si (111)-on-Si (100) can serve as a potential platform for the one chip integration of GaN-based high electron mobility transistors (HEMT) or photonics with the Si (100)-based complementary metal oxide semiconductor (CMOS).

Preparation and characterization of epitaxial MgO thin film by atmospheric-pressure metalorganic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Zeng, J. M.; Wang, H.; Shang, S. X.; Wang, Z.; Wang, M.

1996-12-01

Magnesium oxide (MgO) thin films have been prepared on Si(100), {SiO2(100) }/{Si} and {Pt(111) }/{Si} substrates by atmospheric-pressure metalorganic chemical vapor deposition (AP-MOCVD) for the first time. The relationship between the temperature of substrates ( Ts) and crystallographic orientations was also investigated. Magnesium acetylacetonate [Mg(CH 2COCH 2COCH 3) 2] was used as the metalorganic source. The relatively low temperature of substrates is about 480°C and the MgO thin films obtained were uniform, dense and well-ordered single crystal. X-ray diffraction experiments provided evidence that the MgO thin films on Si(100) ( Ts ≈ 400-680°C), {SiO2}/{Si} and {Pt}/{Si} were fully textured with (100) orientation. The deliquescent character of MgO thin films was also studied.

Formation of SiGe nanocrystals embedded in Al2O3 for the application of write-once-read-many-times memory

NASA Astrophysics Data System (ADS)

Wu, Min-Lin; Wu, Yung-Hsien; Lin, Chia-Chun; Chen, Lun-Lun

2012-10-01

The structure of SiGe nanocrystals embedded in Al2O3 formed by sequential deposition of Al2O3/Si/Ge/Al2O3 and a subsequent annealing was confirmed by transmission electron microscopy and energy dispersive spectroscopy (EDS), and its application for write-once-read-many-times (WORM) memory devices was explored in this study. By applying a -10 V pulse for 1 s, a large amount of holes injected from Si substrate are stored in the nanocrystals and consequently, the current at +1.5 V increases by a factor of 104 as compared to that of the initial state. Even with a smaller -5 V pulse for 1 μs, a sufficiently large current ratio of 36 can still be obtained, verifying the low power operation. Since holes are stored in nanocrystals which are isolated from Si substrate by Al2O3 with good integrity and correspond to a large valence band offset with respect to Al2O3, desirable read endurance up to 105 cycles and excellent retention over 100 yr are achieved. Combining these promising characteristics, WORM memory devices are appropriate for high-performance archival storage applications.

The structure study of thin semiconductor and dielectric films by diffraction of synchrotron radiation

NASA Astrophysics Data System (ADS)

Yurjev, G. S.; Fainer, N. I.; Maximovskiy, E. A.; Kosinova, M. L.; Sheromov, M. A.; Rumyantsev, Yu. M.

1998-02-01

The structure of semiconductor and dielectric thin (100-300 nm) films was studied by diffraction of synchrotron radiation. The diffraction experiments were performed at both the station "Anomalous scattering" of the storage ring synchrotron facility VEPP-3 and DRON-4 diffractometer. The structure of CdS thin films grown on fused silica, single Si(100) and InP(100) substrates was investigated. The structure of Cu 2S thin films grown on fused silica, single Si(100) substrates and CdS/Si(100)-heterostructure was studied. The structure study was performed on Si 3N 4 films grown on GaAs(100) substrates. The structure of thin BN layers grown on single Si(100) substrates was studied. It was established that structural parameters of above-mentioned thin films coincide on the parameters of JCPDS International Centre for Diffraction Data.

Graphene growth on Ge(100)/Si(100) substrates by CVD method.

PubMed

Pasternak, Iwona; Wesolowski, Marek; Jozwik, Iwona; Lukosius, Mindaugas; Lupina, Grzegorz; Dabrowski, Pawel; Baranowski, Jacek M; Strupinski, Wlodek

2016-02-22

The successful integration of graphene into microelectronic devices is strongly dependent on the availability of direct deposition processes, which can provide uniform, large area and high quality graphene on nonmetallic substrates. As of today the dominant technology is based on Si and obtaining graphene with Si is treated as the most advantageous solution. However, the formation of carbide during the growth process makes manufacturing graphene on Si wafers extremely challenging. To overcome these difficulties and reach the set goals, we proposed growth of high quality graphene layers by the CVD method on Ge(100)/Si(100) wafers. In addition, a stochastic model was applied in order to describe the graphene growth process on the Ge(100)/Si(100) substrate and to determine the direction of further processes. As a result, high quality graphene was grown, which was proved by Raman spectroscopy results, showing uniform monolayer films with FWHM of the 2D band of 32 cm(-1).

Isotopic effects in vibrational relaxation dynamics of H on a Si(100) surface

NASA Astrophysics Data System (ADS)

Bouakline, F.; Lorenz, U.; Melani, G.; Paramonov, G. K.; Saalfrank, P.

2017-10-01

In a recent paper [U. Lorenz and P. Saalfrank, Chem. Phys. 482, 69 (2017)], we proposed a robust scheme to set up a system-bath model Hamiltonian, describing the coupling of adsorbate vibrations (system) to surface phonons (bath), from first principles. The method is based on an embedded cluster approach, using orthogonal coordinates for system and bath modes, and an anharmonic phononic expansion of the system-bath interaction up to second order. In this contribution, we use this model Hamiltonian to calculate vibrational relaxation rates of H-Si and D-Si bending modes, coupled to a fully H(D)-covered Si(100)-( 2 × 1 ) surface, at zero temperature. The D-Si bending mode has an anharmonic frequency lying inside the bath frequency spectrum, whereas the H-Si bending mode frequency is outside the bath Debye band. Therefore, in the present calculations, we only take into account one-phonon system-bath couplings for the D-Si system and both one- and two-phonon interaction terms in the case of H-Si. The computation of vibrational lifetimes is performed with two different approaches, namely, Fermi's golden rule, and a generalized Bixon-Jortner model built in a restricted vibrational space of the adsorbate-surface zeroth-order Hamiltonian. For D-Si, the Bixon-Jortner Hamiltonian can be solved by exact diagonalization, serving as a benchmark, whereas for H-Si, an iterative scheme based on the recursive residue generation method is applied, with excellent convergence properties. We found that the lifetimes obtained with perturbation theory, albeit having almost the same order of magnitude—a few hundred fs for D-Si and a couple of ps for H-Si—, are strongly dependent on the discretized numerical representation of the bath spectral density. On the other hand, the Bixon-Jortner model is free of such numerical deficiencies, therefore providing better estimates of vibrational relaxation rates, at a very low computational cost. The results obtained with this model clearly show a net exponential decay of the time-dependent survival probability for the H-Si initial vibrational state, allowing an easy extraction of the bending mode "lifetime." This is in contrast with the D-Si system, whose survival probability exhibits a non-monotonic decay, making it difficult to define such a lifetime. This different behavior of the vibrational decay is rationalized in terms of the power spectrum of the adsorbate-surface system. In the case of D-Si, it consists of several, non-uniformly distributed peaks around the bending mode frequency, whereas the H-Si spectrum exhibits a single Lorentzian lineshape, whose width corresponds to the calculated lifetime. The present work gives some insight into mechanisms of vibration-phonon coupling at surfaces. It also serves as a benchmark for multidimensional system-bath quantum dynamics, for comparison with approximate schemes such as reduced, open-system density matrix theory (where the bath is traced out and a Liouville-von Neumann equation is solved) or approximate wavefunction methods to solve the combined system-bath Schrödinger equation.

Identification of flame transfer functions in the presence of intrinsic thermoacoustic feedback and noise

NASA Astrophysics Data System (ADS)

Jaensch, Stefan; Merk, Malte; Emmert, Thomas; Polifke, Wolfgang

2018-05-01

The Large Eddy Simulation/System Identification (LES/SI) approach is a general and efficient numerical method for deducing a Flame Transfer Function (FTF) from the LES of turbulent reacting flow. The method may be summarised as follows: a simulated flame is forced with a broadband excitation signal. The resulting fluctuations of the reference velocity and of the global heat release rate are post-processed via SI techniques in order to estimate a low-order model of the flame dynamics. The FTF is readily deduced from the low-order model. The SI method most frequently applied in aero- and thermo-acoustics has been Wiener-Hopf Inversion (WHI). This method is known to yield biased estimates in situations with feedback, thus it was assumed that non-reflective boundary conditions are required to generate accurate results with the LES/SI approach. Recent research has shown that the FTF is part of the so-called Intrinsic ThermoAcoustic (ITA) feedback loop. Hence, identifying an FTF from a compressible LES is always a closed-loop problem, and consequently one should expect that the WHI would yield biased results. However, several studies proved that WHI results compare favourably with validation data. To resolve this apparent contradiction, a variety of identification methods are compared against each other, including models designed for closed-loop identification. In agreement with theory, we show that the estimate given by WHI does not converge to the actual FTF. Fortunately, the error made is small if excitation amplitudes can be set such that the signal-to-noise ratio is large, but not large enough to trigger nonlinear flame dynamics. Furthermore, we conclude that non-reflective boundary conditions are not essentially necessary to apply the LES/SI approach.

Multiple film plane diagnostic for shocked lattice measurements (invited)

NASA Astrophysics Data System (ADS)

Kalantar, Daniel H.; Bringa, E.; Caturla, M.; Colvin, J.; Lorenz, K. T.; Kumar, M.; Stölken, J.; Allen, A. M.; Rosolankova, K.; Wark, J. S.; Meyers, M. A.; Schneider, M.; Boehly, T. R.

2003-03-01

Laser-based shock experiments have been conducted in thin Si and Cu crystals at pressures above the Hugoniot elastic limit. In these experiments, static film and x-ray streak cameras recorded x rays diffracted from lattice planes both parallel and perpendicular to the shock direction. These data showed uniaxial compression of Si(100) along the shock direction and three-dimensional compression of Cu(100). In the case of the Si diffraction, there was a multiple wave structure observed, which may be due to a one-dimensional phase transition or a time variation in the shock pressure. A new film-based detector has been developed for these in situ dynamic diffraction experiments. This large-angle detector consists of three film cassettes that are positioned to record x rays diffracted from a shocked crystal anywhere within a full π steradian. It records x rays that are diffracted from multiple lattice planes both parallel and at oblique angles with respect to the shock direction. It is a time-integrating measurement, but time-resolved data may be recorded using a short duration laser pulse to create the diffraction source x rays. This new instrument has been fielded at the OMEGA and Janus lasers to study single-crystal materials shock compressed by direct laser irradiation. In these experiments, a multiple wave structure was observed on many different lattice planes in Si. These data provide information on the structure under compression.

Growth, characterization and device development in monocrystalline diamond films

NASA Astrophysics Data System (ADS)

Davis, R. F.; Glass, J. T.; Nemanich, R. J.; Bozeman, S. P.; Sowers, A. T.

1995-06-01

Experimental and theoretical studies concerned with interface interactions of diamond with Si, Ni, and Ni3Si substrates have been conducted. Oriented diamond films deposited on (100) Si were characterized by polar Raman, polar x-ray diffraction (XRD), and cross-sectional high resolution transmission electron microscopy (HRTEM). These sutides showed that the diamond(100)/Si(100) interface adopted the 3:2-match arrangement rather than a 45 deg rotation. Extended Hueckel tight-binding (EHTB) electronic structure calculations for a model system revealed that the interface interaction favors the 3:2-match arrangement. Growth on polycrystalline Ni3Si resulted in oriented diamond particles; under the same growth conditions, graphite was formed on the nickel substrate. Our EHTB electronic structure calculations showed that the (111) and (100) surfaces of Ni3Si have a strong preference for diamond nucleation over graphite nucleation, but this was not the case for the (111) and (100) surfaces of Ni.

800 C Silicon Carbide (SiC) Pressure Sensors for Engine Ground Testing

NASA Technical Reports Server (NTRS)

Okojie, Robert S.

2016-01-01

MEMS-based 4H-SiC piezoresistive pressure sensors have been demonstrated at 800 C, leading to the discovery of strain sensitivity recovery with increasing temperatures above 400 C, eventually achieving up to, or near, 100 recovery of the room temperature values at 800 C. This result will allow the insertion of highly sensitive pressure sensors closer to jet, rocket, and hypersonic engine combustion chambers to improve the quantification accuracy of combustor dynamics, performance, and increase safety margin. Also, by operating at higher temperature and locating closer to the combustion chamber, reduction of the length (weight) of pressure tubes that are currently used will be achieved. This will result in reduced costlb to access space.

Structure-dependent interactions between alkali feldspars and organic compounds: implications for reactions in geologic carbon sequestration.

PubMed

Yang, Yi; Min, Yujia; Jun, Young-Shin

2013-01-02

Organic compounds in deep saline aquifers may change supercritical CO(2) (scCO(2))-induced geochemical processes by attacking specific components in a mineral's crystal structure. Here we investigate effects of acetate and oxalate on alkali feldspar-brine interactions in a simulated geologic carbon sequestration (GCS) environment at 100 atm of CO(2) and 90 °C. We show that both organics enhance the net extent of feldspar's dissolution, with oxalate showing a more prominent effect than acetate. Further, we demonstrate that the increased reactivity of Al-O-Si linkages due to the presence of oxalate results in the promotion of both Al and Si release from feldspars. As a consequence, the degree of Al-Si order may affect the effect of oxalate on feldspar dissolution: a promotion of ~500% in terms of cumulative Si concentration was observed after 75 h of dissolution for sanidine (a highly disordered feldspar) owing to oxalate, while the corresponding increase for albite (a highly ordered feldspar) was ~90%. These results provide new insights into the dependence of feldspar dissolution kinetics on the crystallographic properties of the mineral under GCS conditions.

Selective femtosecond laser structuring of dielectric thin films with different band gaps: a time-resolved study of ablation mechanisms

NASA Astrophysics Data System (ADS)

Rapp, Stephan; Schmidt, Michael; Huber, Heinz P.

2016-12-01

Ultrashort pulse lasers have been increasingly gaining importance for the selective structuring of dielectric thin films in industrial applications. In a variety of works the ablation of thin SiO2 and SiNx films from Si substrates has been investigated with near infrared laser wavelengths with photon energies of about 1.2 eV where both dielectrics are transparent (E_{{gap,SiO2}}≈ 8 eV; E_{{gap,SiN}x}≈ 2.5 eV). In these works it was found that few 100 nm thick SiO2 films are selectively ablated with a "lift-off" initiated by confined laser ablation whereas the SiN_{{x}} films are ablated by a combination of confined and direct laser ablation. In the work at hand, ultrafast pump-probe imaging was applied to compare the laser ablation dynamics of the two thin film systems directly with the uncoated Si substrate—on the same setup and under identical parameters. On the SiO2 sample, results show the pulse absorption in the Si substrate, leading to the confined ablation of the SiO2 layer by the expansion of the substrate. On the SiN_{{x}} sample, direct absorption in the layer is observed leading to its removal by evaporation. The pump-probe measurements combined with reflectivity corrected threshold fluence investigations suggest that melting of the Si substrate is sufficient to initiate the lift-off of an overlaying transparent film—evaporation of the substrate seems not to be necessary.

Low Light Availability Alters Root Exudation and Reduces Putative Beneficial Microorganisms in Seagrass Roots

PubMed Central

Martin, Belinda C.; Gleeson, Deirdre; Statton, John; Siebers, Andre R.; Grierson, Pauline; Ryan, Megan H.; Kendrick, Gary A.

2018-01-01

Seagrass roots host a diverse microbiome that is critical for plant growth and health. Composition of microbial communities can be regulated in part by root exudates, but the specifics of these interactions in seagrass rhizospheres are still largely unknown. As light availability controls primary productivity, reduced light may impact root exudation and consequently the composition of the root microbiome. Hence, we analyzed the influence of light availability on root exudation and community structure of the root microbiome of three co-occurring seagrass species, Halophila ovalis, Halodule uninervis and Cymodocea serrulata. Plants were grown under four light treatments in mesocosms for 2 weeks; control (100% surface irradiance (SI), medium (40% SI), low (20% SI) and fluctuating light (10 days 20% and 4 days 100%). 16S rDNA amplicon sequencing revealed that microbial diversity, composition and predicted function were strongly influenced by the presence of seagrass roots, such that root microbiomes were unique to each seagrass species. Reduced light availability altered seagrass root exudation, as characterized using fluorescence spectroscopy, and altered the composition of seagrass root microbiomes with a reduction in abundance of potentially beneficial microorganisms. Overall, this study highlights the potential for above-ground light reduction to invoke a cascade of changes from alterations in root exudation to a reduction in putative beneficial microorganisms and, ultimately, confirms the importance of the seagrass root environment – a critical, but often overlooked space. PMID:29375529

Time-dependent strength degradation of a siliconized silicon carbide determined by dynamic fatigue

DOE Office of Scientific and Technical Information (OSTI.GOV)

Breder, K.

1995-10-01

Both fast-fracture strength and strength as a function of stressing rate at room temperature, 1,100, and 1,400 C were measured for a siliconized SiC. The fast-fracture strength increased slightly from 386 MPa at room temperature to 424 MPa at 1,100 C and then dropped to 308 MPa at 1,400 C. The Weibull moduli at room temperature and 1,100 were 10.8 and 7.8, respectively, whereas, at 1,400 C, the Weibull modulus was 2.8. The very low Weibull modulus at 1,400 C was due to the existence of two exclusive flaw populations with very different characteristic strengths. The data were reanalyzed usingmore » two exclusive flaw populations. The ceramic showed no slow crack growth (SCG), as measured by dynamic fatigue at 1,100 C, but, at 1,400 C, an SCG parameter, n, of 15.5 was measured. Fractography showed SCG zones consisting of cracks grown out from silicon-rich areas. Time-to-failure predictions at given levels of failure probabilities were performed.« less

Effect of the nand p-type Si(100) substrates with a SiC buffer layer on the growth mechanism and structure of epitaxial layers of semipolar AlN and GaN

NASA Astrophysics Data System (ADS)

Bessolov, V. N.; Grashchenko, A. S.; Konenkova, E. V.; Myasoedov, A. V.; Osipov, A. V.; Red'kov, A. V.; Rodin, S. N.; Rubets, V. P.; Kukushkin, S. A.

2015-10-01

A new effect of the n-and p-type doping of the Si(100) substrate with a SiC film on the growth mechanism and structure of AlN and GaN epitaxial layers has been revealed. It has been experimentally shown that the mechanism of AlN and GaN layer growth on the surface of a SiC layer synthesized by substituting atoms on n- and p-Si substrates is fundamentally different. It has been found that semipolar AlN and GaN layers on the SiC/Si(100) surface grow in the epitaxial and polycrystalline structures on p-Si and n-Si substrates, respectively. A new method for synthesizing epitaxial semipolar AlN and GaN layers by chloride-hydride epitaxy on silicon substrates has been proposed.

Correlated topographic and structural modification on Si surface during multi-shot femtosecond laser exposures: Si nanopolymorphs as potential local structural nanomarkers

NASA Astrophysics Data System (ADS)

Ionin, A. A.; Kudryashov, S. I.; Levchenko, A. O.; Nguyen, L. V.; Saraeva, I. N.; Rudenko, A. A.; Ageev, E. I.; Potorochin, D. V.; Veiko, V. P.; Borisov, E. V.; Pankin, D. V.; Kirilenko, D. A.; Brunkov, P. N.

2017-09-01

High-pressure Si-XII and Si-III nanocrystalline polymorphs, as well as amorphous Si phase, appear consequently during multi-shot femtosecond-laser exposure of crystalline Si wafer surface above its spallation threshold along with permanently developing quasi-regular surface texture (ripples, microcones), residual hydrostatic stresses and subsurface damage, which are characterized by scanning and transmission electron microscopy, as well as by Raman micro-spectroscopy. The consequent yields of these structural Si phases indicate not only their spatially different appearance, but also potentially enable to track nanoscale, transient laser-induced high-pressure, high-temperature physical processes - local variation of ablation mechanism and rate, pressurization/pressure release, melting/resolidification, amorphization, annealing - versus cumulative laser exposure and the related development of the surface topography.

Comparison of Cl2 and HCl Adsorption on Si(100)-(2x1)

DTIC Science & Technology

1992-06-01

amount of SiCl4 at ~ 500K. For HC1, the only observed etching product is SiCl2. 3 1. Introduction It is important to understand the basic chemistry of...as SiCl2 (a), SiCl3 (a) or SiCl4 (a), are not observed following either C12 or HCl adsorption at 100K. These chlorides should exhibit an asymmetric

Thermal conductivity measurement of amorphous dielectric multilayers for phase-change memory power reduction

NASA Astrophysics Data System (ADS)

Fong, S. W.; Sood, A.; Chen, L.; Kumari, N.; Asheghi, M.; Goodson, K. E.; Gibson, G. A.; Wong, H.-S. P.

2016-07-01

In this work, we investigate the temperature-dependent thermal conductivities of few nanometer thick alternating stacks of amorphous dielectrics, specifically SiO2/Al2O3 and SiO2/Si3N4. Experiments using steady-state Joule-heating and electrical thermometry, while using a micro-miniature refrigerator over a wide temperature range (100-500 K), show that amorphous thin-film multilayer SiO2/Si3N4 and SiO2/Al2O3 exhibit through-plane room temperature effective thermal conductivities of about 1.14 and 0.48 W/(m × K), respectively. In the case of SiO2/Al2O3, the reduced conductivity is attributed to lowered film density (7.03 → 5.44 × 1028 m-3 for SiO2 and 10.2 → 8.27 × 1028 m-3 for Al2O3) caused by atomic layer deposition of thin-films as well as a small, finite, and repeating thermal boundary resistance (TBR) of 1.5 m2 K/GW between dielectric layers. Molecular dynamics simulations reveal that vibrational mismatch between amorphous oxide layers is small, and that the TBR between layers is largely due to imperfect interfaces. Finally, the impact of using this multilayer dielectric in a dash-type phase-change memory device is studied using finite-element simulations.

Novel pathways for elimination of chlorine atoms from growing Si(100) surfaces in CVD reactors

NASA Astrophysics Data System (ADS)

Kunioshi, Nílson; Hagino, Sho; Fuwa, Akio; Yamaguchi, Katsunori

2018-05-01

Reactions leading to elimination of chlorine atoms from growing Si(100) surfaces were simulated using clusters of silicon atoms of different sizes and shapes, and at the UB3LYP/6-31 g(d,p) level of theory. The reactions of type SiCl2(s) + 2 H2(g), where (s) indicates an adsorbed species at the surface and (g) a gas-phase species, were found to proceed in two steps: SiCl2(s) + H2(g) → SiHCl(s) + HCl(g) and SiHCl(s) + H2(g) → SiH2(s) + HCl(g), each having activation energies around 55 kcal/mol, a value which is comparable to experimental values published in the literature. In addition, the results suggested that H-passivation of Si(100) surfaces support reactions leading to canonical epitaxial growth, providing a plausible explanation for the convenience of passivating the surfaces prior to silicon deposition. The reactions analyzed here can therefore be seen as important steps in the mechanism of epitaxial growth of Si(100) surfaces.

Novel methodology developments in modern molecular simulations

NASA Astrophysics Data System (ADS)

Minary, Peter

The present thesis aims to summarize novel methodological developments and their uses in the rapidly expanding field of molecular simulations. A new formalism designed to treat long range interactions on surfaces/wires, systems which are infinitely replicated in two/one spatial directions but have finite extent in the remaining dimensions, is developed in the first part of this thesis. The method is tested on both model and realistic problems and is found to be accurate, efficient and a marked improvement over existing formulations in speed, accuracy and utility. In the second part of this thesis, a novel ab initio molecular dynamics technique capable of treating metallic systems and highly exothermic chemical reactions is presented. The combination of the aforementioned methods are applied in the next part to study functionalization reactions at the Si(100)-2x1 semiconductor interface. Here, a set of forty finite temperature ab initio molecular dynamics trajectories is employed to investigate the microscopic mechanism of the addition of 1,3-butadiene to the Si(100)-2x1 surface. The detailed study of the trajectories indicate a common non-concerted stepwise mechanism that proceeds via an intermediate carbocation. In the remaining parts of the thesis, a novel set of methods is introduced to significantly enhance conformational sampling in molecular dynamics simulations of biomolecular systems. First, a new set of equations of motion and a reversible, resonance free, integrator are developed which permits step sizes on the order of 100 fs to be used. The new technique provides sufficient sampling to impact studies of the 200--300 residue proteins of greatest interest. Second, it is shown that combining molecular dynamics with novel variable transformations designed to warp configuration space so as to reduce barrier regions and enhance attractive basins lead to substantial gains in conformational sampling efficiency. Here, new transformations designed to overcome barriers induced by intermolecular interactions are introduced. The method is shown to substantially enhance conformational sampling in long alkane chains and in a model protein over standard molecular dynamics as well as parallel tempering.

Raman spectroscopy and lattice dynamics of MgSiO3-perovskite at high pressure

NASA Astrophysics Data System (ADS)

Hemley, R. J.; Cohen, R. E.; Yeganeh-Haeri, A.; Mao, H. K.; Weidner, D. J.; Ito, E.

Vibrational Raman spectra have been obtained for 50 to 100 μm single crystals of MgSiO3 perovskite in situ at high pressure. Seven bands were tracked as a function of pressure to 26 GPa using a diamond-anvil high-pressure cell with rare-gas pressure-transmitting media. The frequency shifts with pressure are positive, and no soft modes were observed, in agreement with the present and previous lattice dynamics calculations. Zero-pressure frequency shifts (dυi/dP)0 vary between 1.7 and 4.2 cm-1/GPa, which contrasts with the uniform shift of 2.6 cm-1/GPa for modes measured in high-pressure mid-infrared spectra. The mode-Grüneisen parameters γi, determined from the present data span the range 1.6-1.9, and are generally higher than those reported in the infrared study. The Raman data are interpreted using the lattice dynamics calculated from the potential-induced breathing (PIB) model, a Gordon-Kim approach that includes the effects of charge relaxation on the dynamics. Good agreement with the experimentally determined frequencies is obtained, particularly in the lower frequency range, in comparison with previous rigid-ion results. The high thermal expansivity for MgSiO3-perovskite is shown to be due to the comparatively high values for γi associated with the lower frequency modes. Thermal weighting of the individual γi is required for an accurate calculation of the thermal Grüneisen parameter γTH and thermal expansivity.

A movie of accretion/ejection of material in a high-mass YSO in Orion BN/KL at radii comparable to the Solar System

NASA Astrophysics Data System (ADS)

Goddi, C.; Greenhill, L.; Humphreys, E.; Matthews, L.; Chandler, C.

2010-11-01

Around high-mass Young Stellar Objects (YSOs), outflows are expected to be launched and collimated by accretion disks inside radii of 100 AU. Strong observational constraints on disk-mediated accretion in this context have been scarce, largely owing to difficulties in probing the circumstellar gas at scales 10-100 AU around high-mass YSOs, which are on average distant (>1 Kpc), form in clusters, and ignite quickly whilst still enshrouded in dusty envelopes. Radio Source I in Orion BN/KL is the nearest example of a high-mass YSO, and only one of three YSOs known to power SiO masers. Using VLA and VLBA observations of different SiO maser transitions, the KaLYPSO project (http://www.cfa.harvard.edu/kalypso/) aims to overcome past observational limitations by mapping the structure, 3-D velocity field, and dynamical evolution of the circumstellar gas within 1000 AU from Source I. Based on 19 epochs of VLBA observations of v=1,2 SiO masers over ~2 years, we produced a movie of bulk gas flow tracing the compact disk and the base of the protostellar wind at radii < 100 AU from Source I. In addition, we have used the VLA to map 7mm SiO v=0 emission and track proper motions over 10 years. We identify a narrowly collimated outflow with a mean motion of 18 km/s at radii 100-1000 AU, along a NE-SW axis perpendicular to that of the disk traced by the v=1,2 masers. The VLBA and VLA data exclude alternate models that place outflow from Source I along a NW-SE axis. The analysis of the complete (VLBA and VLA) dataset provides the most detailed evidence to date that high-mass star formation occurs via disk-mediated accretion.

Antecedents and Consequences of Situational Interest

ERIC Educational Resources Information Center

Linnenbrink-Garcia, Lisa; Patall, Erika A.; Messersmith, Emily E.

2013-01-01

Background: There is a growing body of research on situational interest (SI). Yet, we still know relatively little about how SI is supported in the classroom and the academic benefits of SI. Aim: The current study investigated (1) contextual antecedents of SI; (2) potential benefits of SI for academic outcomes; and (3) SI as a mediator of…

Comparison of silicon, nickel, and nickel silicide (Ni 3Si) as substrates for epitaxial diamond growth

NASA Astrophysics Data System (ADS)

Tucker, D. A.; Seo, D.-K.; Whangbo, M.-H.; Sivazlian, F. R.; Stoner, B. R.; Bozeman, S. P.; Sowers, A. T.; Nemanich, R. J.; Glass, J. T.

1995-07-01

We carried out experimental and theoretical studies aimed at probing interface interactions of diamond with Si, Ni, and Ni 3Si substrates. Oriented diamond films deposited on (100) silicon were characterized by polar Raman, polar XRD, and cross-sectional HRTEM. These studies show that the diamond-(100)/Si(100) interface does not adopt the 45°-rotation but the 3 : 2-match arrangement. Our extended Hückel tight-binding (EHTB) electronic structure calculations for a model system show that the interface interaction favors the 3 : 2-match arrangement. Growth on polycrystalline Ni 3Si resulted in oriented diamond particles while, under the same growth conditions, largely graphite was formed on the nickel substrate. Our EHTB electronic structure calculations for model systems show that the (111) and (100) surfaces of Ni 3Si have a strong preference for diamond-nucleation over graphite-nucleation, but this is not the case for the (111) and (100) surfaces of Ni.

Deep-level dominated electrical characteristics of Au contacts on beta-SiC

NASA Technical Reports Server (NTRS)

Das, K.; Kong, H. S.; Petit, J. B.; Bumgarner, J. W.; Davis, R. F.; Matus, L. G.

1990-01-01

Electrical characteristics of Au contacts on beta-SiC films, grown epitaxially on both nominal and off-axis (100) silicon substrates, are reported. An analysis of the logarithmic I-V plots of the Au/beta-SiC diodes revealed information pertaining to the deep states present in the materials. It was found that while the beta-SiC films grown on nominally (100) oriented substrates show the presence of two deep levels located between 0.26 and 0.38 eV below the conduction bandedge, the beta-SiC films deposited on off-axis substrates have only one deep level, located about 0.49 eV below the conduction bandedge for the 2-deg off (100) substrates and 0.57 eV for the 4-deg off (100) substrates. The presence of the shallower deep states in the beta-SiC films grown on nominal (100) substrates is attributed to the electrical activity of antiphase domain boundaries.

Si-F complexing in aqueous fluids: experimental study and implications for transport of immobile elements

NASA Astrophysics Data System (ADS)

Dolejš, David

2014-05-01

Intepretation of fluid-mineral interaction mechanisms and hydrothermal fluxes requires knowledge of predominant solubility and speciation reactions and their thermodynamic properties. Fluorine represents a hard electron donor, capable of complexing and transporting high-field strength elements, which are traditionally considered to be immobile. Reactions responsible for element mobility have general form MOx + y HF (aq) + x - y H2O = M(OH)2x-yFy (aq), and their extent and transport efficiency relies on hydrogen fluoride activity. In natural fluids, a[HF] is controlled by various fluorination equilibria including neutralization of silicates with consequent formation of silicohydroxyfluoride complexes. Quartz solubility in HF-H2O fluids was experimentally determined at 400-800 oC and 100-200 MPa using rapid-quench cold-seal pressure vessels and the mineral weight-loss method. Quartz solubility significantly increases in the presence of hydrogen fluoride: at 400 oC and 100 MPa, dissolved SiO2 ranges from 0.18 wt. % in pure H2O to 12.2 wt. % at 8.3 wt. % F in the fluid, whereas at 800 oC and 200 MPa it rises from 1.51 wt. % in pure H2O to 15.3 wt. % at 8.0 wt. % F in the fluid. The isobaric solubilities of quartz appear to be temperature-independent, i.e., effects of temperature vs. fluid density on the solubility are counteracting. The experimental data are described by the density model: log m[SiO2] = a + blog ρ + clog m[F] + dT , where a = -1.049 mol kg-1, b = 0.816 mol cm-3, c = 0.802 and d = 1.256 · 10-3 mol kg-1 K-1. Solubility isotherms have similar d(log m[SiO2])/d(log m[F]) slopes over the entire range of conditions indicating that Si(OH)2F2 is the major aqueous species. Several factors promote breakdown of silicohydroxyfluoride complexes and precipitation of silica solute: (i) decreasing temperature and pressure, i.e., fluid ascent and cooling and/or (ii) neutralization and increase in the alkali/H ratio of fluids during alteration reactions or removal of hydrogen halides by fluid boiling. Thermodynamic analysis of mineral equilibria in the system SiO2-Al2O3-FeO-MgO-CaO-Na2O-K2O-H2O-F2O-1 indicates that cryolite, topaz, fluorite and sellaite represent fluoride buffers with decreasing chemical potential of F2O-1 or a[HF], in a sequence from peralkaline to peraluminous silicic, intermediate to progressively Ca-rich mafic and, finally, ultramafic environments. Corresponding a[HF] decrease from 100.2 to 10-1 and from 10-1.6 to 10-3.0 mol kg-1 at 800 and 400 oC, respectively, and 100 MPa. These results imply that: (i) silicohydroxyfluoride and aluminumhydroxyfluoride complexes transport Si and Al in quantities appreciably greater than SiO2 (aq) and aluminate species in peraluminous granite and greisen environments only, and (ii) significant transport (10-100 ppm) of high-field strength (e.g., Ti, Zr) and rare earth elements in aqueous fluids is predicted when formation constants of metal-fluoride complexes exceed 101-2 under hydrothermal conditions. This study concludes that in fluorine-bearing environments the transport of Si and Al remains little affected, but HFSE and REE are largely mobile.

Simultaneous laser excitation of backward volume and perpendicular standing spin waves in full-Heusler Co2FeAl0.5Si0.5 films

PubMed Central

Chen, Zhifeng; Yan, Yong; Li, Shufa; Xu, Xiaoguang; Jiang, Yong; Lai, Tianshu

2017-01-01

Spin-wave dynamics in full-Heusler Co2FeAl0.5Si0.5 films are studied using all-optical pump-probe magneto-optical polar Kerr spectroscopy. Backward volume magnetostatic spin-wave (BVMSW) mode is observed in films with thickness ranging from 20 to 100 nm besides perpendicular standing spin-wave (PSSW) mode, and found to be excited more efficiently than the PSSW mode. The field dependence of the effective Gilbert damping parameter appears especial extrinsic origin. The relationship between the lifetime and the group velocity of BVMSW mode is revealed. The frequency of BVMSW mode does not obviously depend on the film thickness, but the lifetime and the effective damping appear to do so. The simultaneous excitation of BVMSW and PSSW in Heusler alloy films as well as the characterization of their dynamic behaviors may be of interest for magnonic and spintronic applications. PMID:28195160

Self-assembly of nanosize coordination cages on si(100) surfaces.

PubMed

Busi, Marco; Laurenti, Marco; Condorelli, Guglielmo G; Motta, Alessandro; Favazza, Maria; Fragalà, Ignazio L; Montalti, Marco; Prodi, Luca; Dalcanale, Enrico

2007-01-01

Bottom-up fabrication of 3D organic nanostructures on Si(100) surfaces has been achieved by a two-step procedure. Tetradentate cavitand 1 was grafted on the Si surface together with 1-octene (Oct) as a spatial spectator by photochemical hydrosilylation. Ligand exchange between grafted cavitand 1 and self-assembled homocage 2, derived from cavitand 5 bearing a fluorescence marker, led to the formation of coordination cages on Si(100). Formation, quantification, and distribution of the nanoscale molecular containers on a silicon surface was assessed by using three complementary analytical techniques (AFM, XPS, and fluorescence) and validated by control experiments on cavitand-free silicon surfaces. Interestingly, the fluorescence of pyrene at approximately 4 nm above the Si(100) surface can be clearly observed.

Shell morphology and Raman spectra of epitaxial Ge-SixGe1-x and Si-SixGe1-x core-shell nanowires

NASA Astrophysics Data System (ADS)

Wen, Feng; Dillen, David C.; Kim, Kyounghwan; Tutuc, Emanuel

2017-06-01

We investigate the shell morphology and Raman spectra of epitaxial Ge-SixGe1-x and Si-SixGe1-x core-shell nanowire heterostructures grown using a combination of a vapor-liquid-solid (VLS) growth mechanism for the core, followed by in-situ epitaxial shell growth using ultra-high vacuum chemical vapor deposition. Cross-sectional transmission electron microscopy reveals that the VLS growth yields cylindrical Ge, and Si nanowire cores grown along the ⟨111⟩, and ⟨110⟩ or ⟨112⟩ directions, respectively. A hexagonal cross-sectional morphology is observed for Ge-SixGe1-x core-shell nanowires terminated by six {112} facets. Two distinct morphologies are observed for Si-SixGe1-x core-shell nanowires that are either terminated by four {111} and two {100} planes associated with the ⟨110⟩ growth direction or four {113} and two {111} planes associated with the ⟨112⟩ growth direction. We show that the Raman spectra of Si- SixGe1-x are correlated with the shell morphology thanks to epitaxial growth-induced strain, with the core Si-Si mode showing a larger red shift in ⟨112⟩ core-shell nanowires compared to their ⟨110⟩ counterparts. We compare the Si-Si Raman mode value with calculations based on a continuum elasticity model coupled with the lattice dynamic theory.

Atomistics of Ge deposition on Si(100) by atomic layer epitaxy.

PubMed

Lin, D S; Wu, J L; Pan, S Y; Chiang, T C

2003-01-31

Chlorine termination of mixed Ge/Si(100) surfaces substantially enhances the contrast between Ge and Si sites in scanning tunneling microscopy observations. This finding enables a detailed investigation of the spatial distribution of Ge atoms deposited on Si(100) by atomic layer epitaxy. The results are corroborated by photoemission measurements aided by an unusually large chemical shift between Cl adsorbed on Si and Ge. Adsorbate-substrate atomic exchange during growth is shown to be important. The resulting interface is thus graded, but characterized by a very short length scale of about one monolayer.

A nonviral DNA delivery system based on surface modified silica-nanoparticles can efficiently transfect cells in vitro.

PubMed

Kneuer, C; Sameti, M; Bakowsky, U; Schiestel, T; Schirra, H; Schmidt, H; Lehr, C M

2000-01-01

Diverse polycationic polymers have been used as nonviral transfection agents. Here we report the ability of colloidal silica particles with covalently attached cationic surface modifications to transfect plasmid DNA in vitro and make an attempt to describe the structure of the resulting transfection complexes. In analogy to the terms lipoplex and polyplex, we propose to describe the nanoparticle-DNA complexes by the term "nanoplex". Three batches, Si10E, Si100E, and Si26H, sized between 10 and 100 nm and with zeta potentials ranging from +7 to +31 mV at pH 7.4 were evaluated. The galactosidase expression plasmid DNA pCMVbeta was immobilized on the particle surface and efficiently transfected Cos-1 cells. The transfection activity was accompanied by very low cytotoxicity, with LD(50) values in the milligrams per milliliter range. The most active batch, Si26H, was produced by modification of commercially available silica particles with N-(6-aminohexyl)-3-aminopropyltrimethoxysilane, yielding spherical nanoparticles with a mean diameter of 26 nm and a zeta potential of +31 mV at pH 7.4. Complexes of Si26H and pCMVbeta plasmid DNA formed at w/w ratios of 10 were most effective in promoting transfection of Cos-1 cells in the absence of serum. At this ratio, >90% of the DNA was associated with the particles, yielding nanoplexes with a net negative surface charge. When the transfection medium was supplemented with 10% serum, maximum gene expression was observed at a w/w ratio of 30, at which the resulting particle-DNA complexes possessed a positive surface charge. Transfection was strongly increased in the presence of 100 microM chloroquine in the incubation medium and reached approximately 30% of the efficiency of a 60 kDa polyethylenimine. In contrast to polyethylenimine, no toxicity was observed at the concentrations required. Atomic force microscopy of Si26H-DNA complexes revealed a spaghetti-meatball-like structure. The surface of complexes prepared at a w/w ratio of 30 was dominated by particles half-spheres. Complex sizes correlated well with those determined previously by dynamic light scattering.

Dynamics of solid thin-film dewetting in the silicon-on-insulator system

NASA Astrophysics Data System (ADS)

Bussmann, E.; Cheynis, F.; Leroy, F.; Müller, P.; Pierre-Louis, O.

2011-04-01

Using low-energy electron microscopy movies, we have measured the dewetting dynamics of single-crystal Si(001) thin films on SiO2 substrates. During annealing (T>700 °C), voids open in the Si, exposing the oxide. The voids grow, evolving Si fingers that subsequently break apart into self-organized three-dimensional (3D) Si nanocrystals. A kinetic Monte Carlo model incorporating surface and interfacial free energies reproduces all the salient features of the morphological evolution. The dewetting dynamics is described using an analytic surface-diffusion-based model. We demonstrate quantitatively that Si dewetting from SiO2 is mediated by surface-diffusion driven by surface free-energy minimization.

Statistical analysis of solar wind stream interface induced temperature effects on the upper mesosphere and lower thermosphere over SANAE IV, Antarctica

NASA Astrophysics Data System (ADS)

Ogunjobi, Olakunle; Sivakumar, Venkataraman; William; Sivla, T.

Using superposed epoch techniques, the TIMED (Thermosphere Ionosphere Mesosphere Energetic and Dynamics) and NOAA 15-18 (National Oceanic and Atmospheric Administration) satellites measurements are used to examine the response of the polar MLT (Mesosphere and Lower Thermosphere) temperature to energetic electron precipitation during solar wind stream interfaces (SI). We first investigate the relationship between the ionospheric absorption from the ground based riometer and degree of energetic electron precipitation from the MEPED (Medium Energy Proton and Electron Detectors) on board the NOAA satellites. By interpolating the energetic electron measurements from MEPED instruments, we can obtain the electron precipitation rates close in time to the SABER (Sounding of the Atmosphere using Broadband Emission Radiometry) temperature retrieval. Using measurements sorted over the vicinity of SANAE IV (South Africa National Antarctic Expedition IV), we investigate if there are significant temperature effects in the MLT altitude on SI arrival at Earth. The preliminary analysis indicate that there are no temperature increase below 100 km prior to the SI triggered precipitation; whereas a clear temperature increase is observed at 95 km immediately after the SI impact. The analysis on the SI geophysical properties indicates that an enhanced magnetospheric convection resulting to heating could be responsible for the temperature modification on SI arrival.

Formation of SiGe nanocrystals embedded in Al{sub 2}O{sub 3} for the application of write-once-read-many-times memory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Min-Lin; Wu, Yung-Hsien; Lin, Chia-Chun

2012-10-15

The structure of SiGe nanocrystals embedded in Al{sub 2}O{sub 3} formed by sequential deposition of Al{sub 2}O{sub 3}/Si/Ge/Al{sub 2}O{sub 3} and a subsequent annealing was confirmed by transmission electron microscopy and energy dispersive spectroscopy (EDS), and its application for write-once-read-many-times (WORM) memory devices was explored in this study. By applying a -10 V pulse for 1 s, a large amount of holes injected from Si substrate are stored in the nanocrystals and consequently, the current at +1.5 V increases by a factor of 10{sup 4} as compared to that of the initial state. Even with a smaller -5 V pulsemore » for 1 {mu}s, a sufficiently large current ratio of 36 can still be obtained, verifying the low power operation. Since holes are stored in nanocrystals which are isolated from Si substrate by Al{sub 2}O{sub 3} with good integrity and correspond to a large valence band offset with respect to Al{sub 2}O{sub 3}, desirable read endurance up to 10{sup 5} cycles and excellent retention over 100 yr are achieved. Combining these promising characteristics, WORM memory devices are appropriate for high-performance archival storage applications.« less

Age-Related Differences in Motor Coordination during Simultaneous Leg Flexion and Finger Extension: Influence of Temporal Pressure

PubMed Central

Hussein, Tarek; Yiou, Eric; Larue, Jacques

2013-01-01

Although the effect of temporal pressure on spatio-temporal aspects of motor coordination and posture is well established in young adults, there is a clear lack of data on elderly subjects. This work examined the aging-related effects of temporal pressure on movement synchronization and dynamic stability. Sixteen young and eleven elderly subjects performed series of simultaneous rapid leg flexions in an erect posture paired with ipsilateral index-finger extensions, minimizing the difference between heel and finger movement onsets. This task was repeated ten times under two temporal conditions (self-initiated [SI] vs. reaction-time [RT]). Results showed that, first, temporal pressure modified movement synchronization; the finger extension preceded swing heel-off in RT, and inversely in SI. Synchronization error and associated standard deviation were significantly greater in elderly than in young adults in SI only, i.e. in the condition where proprioception is thought to be crucial for temporal coordination. Secondly, both groups developed a significantly shorter mediolateral (ML) anticipatory postural adjustment duration in RT (high temporal pressure) than in SI. In both groups, this shortening was compensated by an increase in the anticipatory peak of centre-of-gravity (CoG) acceleration towards the stance-leg so that ML dynamic stability at foot-off, quantified with the “extrapolated centre-of-mass”, remained unchanged across temporal conditions. This increased CoG acceleration was associated with an increased anticipatory peak of ML centre-of-pressure shift towards the swing-leg in young adults only. This suggested that the ability to accelerate the CoG with the centre-of-pressure shift was degraded in elderly, probably due to weakness in the lower limb muscles. Dynamic stability at foot-off was also degraded in elderly, with a consequent increased risk of ML imbalance and falling. The present study provides new insights into the ability of elderly adults to deal with temporal pressure constraints in adapting whole-body coordination of postural and focal components of paired movement. PMID:24340080

Age-related differences in motor coordination during simultaneous leg flexion and finger extension: influence of temporal pressure.

PubMed

Hussein, Tarek; Yiou, Eric; Larue, Jacques

2013-01-01

Although the effect of temporal pressure on spatio-temporal aspects of motor coordination and posture is well established in young adults, there is a clear lack of data on elderly subjects. This work examined the aging-related effects of temporal pressure on movement synchronization and dynamic stability. Sixteen young and eleven elderly subjects performed series of simultaneous rapid leg flexions in an erect posture paired with ipsilateral index-finger extensions, minimizing the difference between heel and finger movement onsets. This task was repeated ten times under two temporal conditions (self-initiated [SI] vs. reaction-time [RT]). Results showed that, first, temporal pressure modified movement synchronization; the finger extension preceded swing heel-off in RT, and inversely in SI. Synchronization error and associated standard deviation were significantly greater in elderly than in young adults in SI only, i.e. in the condition where proprioception is thought to be crucial for temporal coordination. Secondly, both groups developed a significantly shorter mediolateral (ML) anticipatory postural adjustment duration in RT (high temporal pressure) than in SI. In both groups, this shortening was compensated by an increase in the anticipatory peak of centre-of-gravity (CoG) acceleration towards the stance-leg so that ML dynamic stability at foot-off, quantified with the "extrapolated centre-of-mass", remained unchanged across temporal conditions. This increased CoG acceleration was associated with an increased anticipatory peak of ML centre-of-pressure shift towards the swing-leg in young adults only. This suggested that the ability to accelerate the CoG with the centre-of-pressure shift was degraded in elderly, probably due to weakness in the lower limb muscles. Dynamic stability at foot-off was also degraded in elderly, with a consequent increased risk of ML imbalance and falling. The present study provides new insights into the ability of elderly adults to deal with temporal pressure constraints in adapting whole-body coordination of postural and focal components of paired movement.

Internal Photoemission at Interfaces of ALD TaSiOx Insulating Layers Deposited on Si, InP and In0.53Ga0.47As

NASA Astrophysics Data System (ADS)

Y Chou, H.; Afanas'ev, V. V.; Thoan, N. H.; Adelmann, C.; Lin, H. C.; Houssa, M.; Stesmans, A.

2012-10-01

Electrical analysis of interfaces of (100)Si, (100)InP, and (100)In0.53Ga0.47As with TaSiOx (Ta/Si≈1) films atomic-layer deposited using SiCl4, TaCl5, and H2O precursors suggests Ta silicate as a good insulating and surface passivating layer on all three semiconductors. However, when a positive voltage is applied to the top metal electrode in a metal/ TaSiOx /semiconductor configuration, considerable hysteresis of the capacitance-voltage curves, both at 300 and 77 K, is universally observed indicating electron injection and trapping in the insulator. To shed some light on the origin of this charge instability, we analyzed interface band alignment of the studied interfaces using the spectroscopies of internal photoemission and photoconductivity measurements. The latter reveals that independently of the semiconductor substrate material, TaSiOx layers exhibit a bandgap of only 4.5±0.1 eV, typical for a Ta2O5 network. The density of electron states associated with this narrow-gap network may account for the enhanced electron injection and trapping. Furthermore, while a sufficiently high energy barrier for electrons between Si and TaSiOx (3.1±0.1 eV) is found, much lower IPE thresholds are encountered at the (100)InP/TaSiOx and (100) In0.53Ga0.47As/TaSiOx interfaces, i.e., 2.4 and 2.0 eV, respectively. The lower barrier may be related by the formation of narrow-gap In-rich interlayers between AIIIBV semiconductors and TaSiOx.

Integration of perovskite oxide dielectrics into complementary metal-oxide-semiconductor capacitor structures using amorphous TaSiN as oxygen diffusion barrier

NASA Astrophysics Data System (ADS)

Mešić, Biljana; Schroeder, Herbert

2011-09-01

The high permittivity perovskite oxides have been intensively investigated for their possible application as dielectric materials for stacked capacitors in dynamic random access memory circuits. For the integration of such oxide materials into the CMOS world, a conductive diffusion barrier is indispensable. An optimized stack p++-Si/Pt/Ta21Si57N21/Ir was developed and used as the bottom electrode for the oxide dielectric. The amorphous TaSiN film as oxygen diffusion barrier showed excellent conductive properties and a good thermal stability up to 700 °C in oxygen ambient. The additional protective iridium layer improved the surface roughness after annealing. A 100-nm-thick (Ba,Sr)TiO3 film was deposited using pulsed laser deposition at 550 °C, showing very promising properties for application; the maximum relative dielectric constant at zero field is κ ≈ 470, and the leakage current density is below 10-6 A/cm2 for fields lower then ± 200 kV/cm, corresponding to an applied voltage of ± 2 V.

Shock states of solid Mg2SiO4

NASA Astrophysics Data System (ADS)

Townsend, Joshua; Shulenburger, Luke

2017-06-01

To date there have been thousands of planets discovered outside our solar system. Forsterite, the magnesium end-member of olivine, ((Mg , Fe) 2SiO4) is abundant in the Earth's mantle, and is likely a common planetary building block throughout the galaxy. Despite extensive investigation under terrestrial pressure and temperature regimes, the behavior of the Mg2SiO4 system at higher pressures and temperatures (P>100 GPa, T>4000 K) remains poorly understood. To better understand the behavior of planetary impact processes and the structure of massive planets we investigated the high pressure and high temperature properties of Mg2SiO4 using combined shock compression experiments on the Z-machine at Sandia National Laboratories, and ab-initio molecular dynamics simulations. We compare our results to other recent experiments on shocked forsterite. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. SAND2017-1987 C.

Band structure dynamics in indium wires

NASA Astrophysics Data System (ADS)

Chávez-Cervantes, M.; Krause, R.; Aeschlimann, S.; Gierz, I.

2018-05-01

One-dimensional indium wires grown on Si(111) substrates, which are metallic at high temperatures, become insulating below ˜100 K due to the formation of a charge density wave (CDW). The physics of this transition is not conventional and involves a multiband Peierls instability with strong interband coupling. This CDW ground state is readily destroyed with femtosecond laser pulses resulting in a light-induced insulator-to-metal phase transition. The current understanding of this transition remains incomplete, requiring measurements of the transient electronic structure to complement previous investigations of the lattice dynamics. Time- and angle-resolved photoemission spectroscopy with extreme ultraviolet radiation is applied to this end. We find that the transition from the insulating to the metallic band structure occurs within ˜660 fs, which is a fraction of the amplitude mode period. The long lifetime of the transient state (>100 ps) is attributed to trapping in a metastable state in accordance with previous work.

Reversible and non-reversible changes in nanostructured Si in humid atmosphere

NASA Astrophysics Data System (ADS)

Zhigalov, V.; Pyatilova, O.; Timoshenkov, S.; Gavrilov, S.

2014-12-01

Atmosphere water influence in the nanostructured silicon (NSS) was investigated by IR-spectroscopy and electron work function measurement. Long-term non-reversible dynamics of IR-spectra was found as a result of 100% humidity influence on the nanostructured silicon. It was indicated that air humidity affects on the work function. Dynamics of the electron work function consists of reversible and non-reversible components. Reversible component appears as strong anti-correlation between work function and humidity. Work function change of NSS is about 0.4 eV while the humidity changes between 0% and 100%. Reversible component can be explained by physical sorption of water molecules on the surface. Non-reversible component manifests as long-term decreasing trend of work function in humid atmosphere. Transition curve during abruptly humidity changes alters its shape. Non-reversible component can be explained by chemisorption of water.

Impact of Climate Change on Siberian High and Wintertime Air Pollution in China in Past Two Decades

NASA Astrophysics Data System (ADS)

Zhao, Shuyu; Feng, Tian; Tie, Xuexi; Long, Xin; Li, Guohui; Cao, Junji; Zhou, Weijian; An, Zhisheng

2018-02-01

China has suffered severe air pollutions during wintertime as national industrialization and urbanization have been increasingly developed in the past decades. Recent studies suggest that climate change has important impacts on extreme haze events in northern China. This study uses reanalysis datasets to analyze the trend and variability of Siberian High (SiH) intensity, and its relationship with the Arctic temperature and sea ice cover (SIC) in past two decades. The results show that Arctic is warming accompanied by a rapid decline of SIC, while Eurasia is cooling and SiH intensity is gradually enhancing. The statistics illustrates that the SiH has a significantly positive correlation to the temperature (R = 0.70), and a significant anticorrelation to the SIC (R = -0.69), and this is because the warming Arctic and the reducing SIC enhanced the SiH. The enhanced SiH leads to strengthened northerly winds in the North China Plain (NCP). The WRF-Chem model calculation reveals the strengthened northerly winds during the stronger SiH period in January 2016 produce a significant decrease in PM2.5 (particulate matter with aerodynamic diameter less than 2.5 µm) concentrations by 100-200 µg m-3 than that during the weaker one in January 2013. A sensitivity calculation figures out the reduction of PM2.5 concentrations due to a decrease of 50% in emissions is comparable to changes from the weak SiH condition to the strong SiH condition, suggesting that extreme climate variability in the past few years could have an equivalent impact as a consequence of a large emission reduction on wintertime air pollution in the NCP.

Investigation of the Electrical Characteristics of Al/p-Si/Al Schottky Diode

NASA Astrophysics Data System (ADS)

Şenarslan, Elvan; Güzeldir, Betül; Sağlam, Mustafa

2016-04-01

In this study, p-type Si semiconductor wafer with (100) orientation, 400 μm thickness and 1-10 Ω cm resistivity was used. The Si wafer before making contacts were chemically cleaned with the Si cleaning procedure which for remove organic contaminations were ultrasonically cleaned at acetone and methanol for 10 min respectively and then rinsed in deionized water of 18 MΩ and dried with high purity N2. Then respectively RCA1(i.e., boiling in NH3+H2O2+6H2O for 10 min at 60°C ), RCA2 (i.e., boiling in HCl+H2O2+6H2O for 10 min at 60°C ) cleaning procedures were applied and rinsed in deionized water followed by drying with a stream of N2. After the cleaning process, the wafer is immediately inserted in to the coating unit. Ohmic contact was made by evaporating of Al on the non-polished side of the p-Si wafer pieces under ~ 4,2 10-6 Torr pressure. After process evaporation, p-Si with omic contac thermally annealed 580°C for 3 min in a quartz tube furnace in N2. Then, the rectifier contact is made by evaporation Al metal diameter of about 1.0 mm on the polished surface of p-Si in turbo molecular pump at about ~ 1 10-6 Torr. Consequently, Al/p-Si/Al Schottky diode was obtained. The I-V measurements of this diode performed by the use of a KEITLEY 487 Picoammeter/Voltage Source and the C-V measurements were performed with HP 4192A (50-13 MHz) LF Impedance Analyzer at room temperature and in dark.

Graphene Oxides Used as a New "Dual Role" Binder for Stabilizing Silicon Nanoparticles in Lithium-Ion Battery.

PubMed

Shan, Changsheng; Wu, Kaifeng; Yen, Hung-Ju; Narvaez Villarrubia, Claudia; Nakotte, Tom; Bo, Xiangjie; Zhou, Ming; Wu, Gang; Wang, Hsing-Lin

2018-05-09

For the first time, we report that graphene oxide (GO) can be used as a new "dual-role" binder for Si nanoparticles (SiNPs)-based lithium-ion batteries (LIBs). GO not only provides a graphene-like porous 3D framework for accommodating the volume changes of SiNPs during charging/discharging cycles, but also acts as a polymer-like binder that forms strong chemical bonds with SiNPs through its Si-OH functional groups to trap and stabilize SiNPs inside the electrode. Leveraging this unique dual-role of GO binder, we fabricated GO/SiNPs electrodes with remarkably improved performances as compared to using the conventional polyvinylidene fluoride (PVDF) binder. Specifically, the GO/SiNPs electrode showed a specific capacity of 2400 mA h g -1 at the 50th cycle and 2000 mA h g -1 at the 100th cycle, whereas the SiNPs/PVDF electrode only showed 456 mAh g -1 at the 50th cycle and 100 mAh g -1 at 100th cycle. Moreover, the GO/SiNPs film maintained its structural integrity and formed a stable solid-electrolyte interphase (SEI) film after 100 cycles. These results, combined with the well-established facile synthesis of GO, indicate that GO can be an excellent binder for developing high performance Si-based LIBs.

Investigating the Dynamics of Suicidal Ideation.

PubMed

Hallensleben, Nina; Spangenberg, Lena; Forkmann, Thomas; Rath, Dajana; Hegerl, Ulrich; Kersting, Anette; Kallert, Thomas W; Glaesmer, Heide

2018-01-01

Although the fluctuating nature of suicidal ideation (SI) has been described previously, longitudinal studies investigating the dynamics of SI are scarce. To demonstrate the fluctuation of SI across 6 days and up to 60 measurement points using smartphone-based ecological momentary assessments (EMA). Twenty inpatients with unipolar depression and current and/or lifetime suicidal ideation rated their momentary SI 10 times per day over a 6-day period. Mean squared successive difference (MSSD) was calculated as a measure of variability. Correlations of MSSD with severity of depression, number of previous depressive episodes, and history of suicidal behavior were examined. Individual trajectories of SI are shown to illustrate fluctuation. MSSD values ranged from 0.2 to 21.7. No significant correlations of MSSD with several clinical parameters were found, but there are hints of associations between fluctuation of SI and severity of depression and suicidality. Main limitation of this study is the small sample size leading to low power and probably missing potential effects. Further research with larger samples is necessary to shed light on the dynamics of SI. The results illustrate the dynamic nature and the diversity of trajectories of SI across 6 days in psychiatric inpatients with unipolar depression. Prediction of the fluctuation of SI might be of high clinical relevance. Further research using EMA and sophisticated analyses with larger samples is necessary to shed light on the dynamics of SI.

Dispersion of response times reveals cognitive dynamics.

PubMed

Holden, John G; Van Orden, Guy C; Turvey, Michael T

2009-04-01

Trial-to-trial variation in word-pronunciation times exhibits 1/f scaling. One explanation is that human performances are consequent on multiplicative interactions among interdependent processes-interaction dominant dynamics. This article describes simulated distributions of pronunciation times in a further test for multiplicative interactions and interdependence. Individual participant distributions of approximately 1,100 word-pronunciation times were successfully mimicked for each participant in combinations of lognormal and power-law behavior. Successful hazard function simulations generalized these results to establish interaction dominant dynamics, in contrast with component dominant dynamics, as a likely mechanism for cognitive activity. (c) 2009 APA, all rights reserved

Characterization of Thin Film Dissolution in Water with in Situ Monitoring of Film Thickness Using Reflectometry.

PubMed

Yersak, Alexander S; Lewis, Ryan J; Tran, Jenny; Lee, Yung C

2016-07-13

Reflectometry was implemented as an in situ thickness measurement technique for rapid characterization of the dissolution dynamics of thin film protective barriers in elevated water temperatures above 100 °C. Using this technique, multiple types of coatings were simultaneously evaluated in days rather than years. This technique enabled the uninterrupted characterization of dissolution rates for different coating deposition temperatures, postdeposition annealing conditions, and locations on the coating surfaces. Atomic layer deposition (ALD) SiO2 and wet thermally grown SiO2 (wtg-SiO2) thin films were demonstrated to be dissolution-predictable barriers for the protection of metals such as copper. A ∼49% reduction in dissolution rate was achieved for ALD SiO2 films by increasing the deposition temperatures from 150 to 300 °C. ALD SiO2 deposited at 300 °C and followed by annealing in an inert N2 environment at 1065 °C resulted in a further ∼51% reduction in dissolution rate compared with the nonannealed sample. ALD SiO2 dissolution rates were thus lowered to values of wtg-SiO2 in water by the combination of increasing the deposition temperature and postdeposition annealing. Thin metal films, such as copper, without a SiO2 barrier corroded at an expected ∼1-2 nm/day rate when immersed in room temperature water. This measurement technique can be applied to any optically transparent coating.

Internal Photoemission at Interaces of ALD TaiOx Insulating Layers Deposited on Si, InP and In0.53Ga0.47As

NASA Astrophysics Data System (ADS)

Chou, H. Y.; Afanas'ev, V. V.; Thoan, N. H.; Adelmann, C.; Lin, H. C.; Houssa, M.; Stesmans, A.

2012-12-01

Electrical analysis of interfaces of (100)Si, (100)InP, and (100)In0.53Ga0.47As with TaSiOx (Ta/Si≈1) films atomic-layer deposited using SiCl4, TaCl5, and H2O precursors suggests Ta silicate as a good insulating and surface passivating layer on all three semiconductors. However, when a positive voltage is applied to the top metal electrode in a metal/ TaSiOx /semiconductor configuration, considerable hysteresis of the capacitance-voltage curves, both at 300 and 77 K, is universally observed indicating electron injection and trapping in the insulator. To shed some light on the origin of this charge instability, we analyzed interface band alignment of the studied interfaces using the spectroscopies of internal photoemission and photoconductivity measurements. The latter reveals that independently of the semiconductor substrate material, TaSiOx layers exhibit a bandgap of only 4.5±0.1 eV, typical for a Ta2O5 network. The density of electron states associated with this narrow-gap network may account for the enhanced electron injection and trapping. Furthermore, while a sufficiently high energy barrier for electrons between Si and TaSiOx (3.1±0.1 eV) is found, much lower IPE thresholds are encountered at the (100)InP/TaSiOx and (100) In0.53Ga0.47As/TaSiOx interfaces, i.e., 2.4 and 2.0 eV, respectively. The lower barrier may be related by the formation of narrow-gap In-rich interlayers between AIIIBV semiconductors and TaSiOx.

Optimization of Performance of Arc Welding Using Fluxes in Welded Ship Structures from HY-100 and HY-130 KPSI.

DTIC Science & Technology

1981-09-01

production and formulation for several decades. NMgO + NCaO + NMnO + NFeO + NAI 20 3Basicity = NSiO 2 + NTi0 2 + NZr0 2 + NA1 203 This differs from the widely...20 3 100 (CaO-SiO, )(40) slag CaO/SiO 2 0.15 none 2600 NCaO /NSiO2 0.17 8% FeSi 1900 16% FeSi 1700 32% FeSi 1400 52 I Table 8 (continued). Islag Ca0...SiO~e .79 none 1200 NCaO /NSiOz .84 2% FeSi 1000 4% FeSi 900 16% FeSi 500 32% FeSi 500 Mechanical Property Tests Mechanical property weldments were

Effect of a Stepped Si(100) Surface on the Nucleation Process of Ge Islands

NASA Astrophysics Data System (ADS)

Yesin, M. Yu.; Nikiforov, A. I.; Timofeev, V. A.; Mashanov, V. I.; Tuktamyshev, A. R.; Loshkarev, I. D.; Pchelyakov, O. P.

2018-03-01

Nucleation of Ge islands on a stepped Si(100) surface is studied. It is shown by diffraction of fast electrons that at a temperature of 600°C, constant flux of Si, and deposition rate of 0.652 Å/s, a series of the 1×2 superstructure reflections completely disappears, if the Si (100) substrate deviated by an angle of 0.35° to the (111) face is preliminarily heated to 1000°C. The disappearance of the 1×2 superstructure reflexes is due to the transition from the surface with monoatomic steps to that with diatomic ones. Investigations of the Ge islands' growth were carried out on the Si(100) surface preliminarily annealed at temperatures of 800 and 1000°C. It is shown that the islands tend to nucleate at the step edges.

The Effects of Annealing Temperatures on Composition and Strain in Si x Ge1-x Obtained by Melting Growth of Electrodeposited Ge on Si (100).

PubMed

Abidin, Mastura Shafinaz Zainal; Morshed, Tahsin; Chikita, Hironori; Kinoshita, Yuki; Muta, Shunpei; Anisuzzaman, Mohammad; Park, Jong-Hyeok; Matsumura, Ryo; Mahmood, Mohamad Rusop; Sadoh, Taizoh; Hashim, Abdul Manaf

2014-02-24

The effects of annealing temperatures on composition and strain in Si x Ge 1- x , obtained by rapid melting growth of electrodeposited Ge on Si (100) substrate were investigated. Here, a rapid melting process was performed at temperatures of 1000, 1050 and 1100 °C for 1 s. All annealed samples show single crystalline structure in (100) orientation. A significant appearance of Si-Ge vibration mode peak at ~400 cm -1 confirms the existence of Si-Ge intermixing due to out-diffusion of Si into Ge region. On a rapid melting process, Ge melts and reaches the thermal equilibrium in short time. Si at Ge/Si interface begins to dissolve once in contact with the molten Ge to produce Si-Ge intermixing. The Si fraction in Si-Ge intermixing was calculated by taking into account the intensity ratio of Ge-Ge and Si-Ge vibration mode peaks and was found to increase with the annealing temperatures. It is found that the strain turns from tensile to compressive as the annealing temperature increases. The Si fraction dependent thermal expansion coefficient of Si x Ge 1- x is a possible cause to generate such strain behavior. The understanding of compositional and strain characteristics is important in Ge/Si heterostructure as these properties seem to give significant effects in device performance.

Melting in Superheated Silicon Films Under Pulsed-Laser Irradiation

NASA Astrophysics Data System (ADS)

Wang, Jin Jimmy

This thesis examines melting in superheated silicon films in contact with SiO2 under pulsed laser irradiation. An excimer-laser pulse was employed to induce heating of the film by irradiating the film through the transparent fused-quartz substrate such that most of the beam energy was deposited near the bottom Si-SiO2 interface. Melting dynamics were probed via in situ transient reflectance measurements. The temperature profile was estimated computationally by incorporating temperature- and phase-dependent physical parameters and the time-dependent intensity profile of the incident excimer-laser beam obtained from the experiments. The results indicate that a significant degree of superheating occurred in the subsurface region of the film. Surface-initiated melting was observed in spite of the internal heating scheme, which resulted in the film being substantially hotter at and near the bottom Si-SiO2 interface. By considering that the surface melts at the equilibrium melting point, the solid-phase-only heat-flow analysis estimates that the bottom Si-SiO2 interface can be superheated by at least 220 K during excimer-laser irradiation. It was found that at higher laser fluences (i.e., at higher temperatures), melting can be triggered internally. At heating rates of 1010 K/s, melting was observed to initiate at or near the (100)-oriented Si-SiO2 interface at temperatures estimated to be over 300 K above the equilibrium melting point. Based on theoretical considerations, it was deduced that melting in the superheated solid initiated via a nucleation and growth process. Nucleation rates were estimated from the experimental data using Johnson-Mehl-Avrami-Kolmogorov (JMAK) analysis. Interpretation of the results using classical nucleation theory suggests that nucleation of the liquid phase occurred via the heterogeneous mechanism along the Si-SiO2 interface.

Photoinduced relaxation dynamics of nitrogen-capped silicon nanoclusters: a TD-DFT study

NASA Astrophysics Data System (ADS)

Liu, Xiang-Yang; Xie, Xiao-Ying; Fang, Wei-Hai; Cui, Ganglong

2018-04-01

Herein we have developed and implemented a TD-DFT-based surface-hopping dynamics simulation method with a recently proposed numerical algorithm capable of efficiently computing nonadiabatic couplings, a semiclassical spectrum simulation method, and an excited-state character analysis method based on one-electron transition density matrix. With the use of these developed methods, we have studied the spectroscopic properties, excited-state characters, and photoinduced relaxation dynamics of three silicon nanoclusters capped with different chromophores (Cl@SiQD, Car@SiQD, Azo@SiQD). Spectroscopically, the main absorption peak is visibly red-shifted from Cl@SiQD via Car@SiQD to Azo@SiQD. In contrast to Cl@SiQD and Car@SiQD, there are two peaks observed in Azo@SiQD. Mechanistically, the excited-state relaxation to the lowest S1 excited singlet state is ultrafast in Cl@SiQD, which is less than 190 fs and without involving excited-state trapping. In comparison, there are clear excited-state trappings in Car@SiQD and Azo@SiQD. In the former, the S2 state is trapped more than 300 fs; in the latter, the S3 excited-state trapping is more than 615 fs. These results demonstrate that the interfacial interaction has significant influences on the spectroscopic properties and excited-state relaxation dynamics. The knowledge gained in this work could be helpful for the design of silicon nanoclusters with better photoluminescence performance.

Dynamics of nutrient cycling and related benthic nutrient and oxygen fluxes during a spring phytoplankton bloom in South San Francisco Bay (USA)

USGS Publications Warehouse

Grenz, C.; Cloern, J.E.; Hager, S.W.; Cole, B.E.

2000-01-01

Benthic oxygen uptake and nutrient releases of N, P and Si were measured weekly at 2 sites in South San Francisco Bay around the 1996 spring bloom. Exchanges across the sediment-water interface were estimated from whole core incubations performed in the laboratory at in situ temperature and in dark. Fluxes changed significantly on a weekly time scale. Over a period of 15 wk the fluxes of dissolved inorganic N, P and Si ranged from -40 to +200, 0 to 13 and from 30 to 400 ??mol m-2 h-1 respectively. Sediment oxygen demand increased from 10 before to 64 mg O2 m-2 h-1 just after the bloom period. During the bloom, nutrient fluxes represented about 20, 16 and 9% of the Si, P and N requirements for primary production. Before and after the bloom period, Si fluxes contributed up to 30 and > 100% of this requirement and P and N fluxes up to 15 and 50% respectively. Simple empirical models explain most of the spatial-temporal variability of benthic fluxes of Si, P and NH4 (but not NO3) from 3 predictor variables: sediment porosity, nutrient concentration in bottom waters and chlorophyll content of surficial sediments. These models show that algal blooms influence benthic-pelagic nutrient exchange through 2 processes: (1) depletion of nutrients from the water column (which enhances gradient-driven transports across the sediment-water interface) and (2) sedimentation of labile phytodetritus (which promotes remineralization in or on the surficial sediments). Rates and patterns of nutrient cycling were very different at the shallow and deep study sites, illustrating the challenge of extrapolating measurements of coupled algae-nutrient dynamics to whole ecosystems.

Piezo-Hall effect and fundamental piezo-Hall coefficients of single crystal n-type 3C-SiC(100) with low carrier concentration

NASA Astrophysics Data System (ADS)

Qamar, Afzaal; Dao, Dzung Viet; Dinh, Toan; Iacopi, Alan; Walker, Glenn; Phan, Hoang-Phuong; Hold, Leonie; Dimitrijev, Sima

2017-04-01

This article reports the results on the piezo-Hall effect in single crystal n-type 3C-SiC(100) having a low carrier concentration. The effect of the crystallographic orientation on the piezo-Hall effect has been investigated by applying stress to the Hall devices fabricated in different crystallographic directions. Single crystal n-type 3C-SiC(100) and 3C-SiC(111) were grown by low pressure chemical vapor deposition at 1250 °C. Fundamental piezo-Hall coefficients were obtained using the piezo-Hall effect measurements as P11 = (-29 ± 1.3) × 10-11 Pa-1, P12 = (11.06 ± 0.5)× 10-11 Pa-1, and P44 = (-3.4 ± 0.7) × 10-11 Pa-1. It has been observed that the piezo-Hall coefficients of n-type 3C-SiC(100) show a completely different behavior as compared to that of p-type 3C-SiC.

Process-Induced Carbon and Sub-Layer in SiC/BN/SiC Composites: Characterization and Consequences

NASA Technical Reports Server (NTRS)

Ogbuji, L. U. J. T; Wheeler, D. R.; McCue, T. R.

2001-01-01

Following our detection of films of elemental carbon in the Hi-Nicalon TM/BN/SiC composite and its deleterious effect on oxidative durability, we have examined other SiC/BN/SiC systems. The problem is pervasive, and significant residues of free carbon are confirmed in Sylramic /BN/SiC materials. Effective techniques for routine detection and characterization of adventitious carbon in SiC/BN/SiC composites are discussed.

Effect of Thermal Budget on the Electrical Characterization of Atomic Layer Deposited HfSiO/TiN Gate Stack MOSCAP Structure

PubMed Central

Khan, Z. N.; Ahmed, S.; Ali, M.

2016-01-01

Metal Oxide Semiconductor (MOS) capacitors (MOSCAP) have been instrumental in making CMOS nano-electronics realized for back-to-back technology nodes. High-k gate stacks including the desirable metal gate processing and its integration into CMOS technology remain an active research area projecting the solution to address the requirements of technology roadmaps. Screening, selection and deposition of high-k gate dielectrics, post-deposition thermal processing, choice of metal gate structure and its post-metal deposition annealing are important parameters to optimize the process and possibly address the energy efficiency of CMOS electronics at nano scales. Atomic layer deposition technique is used throughout this work because of its known deposition kinetics resulting in excellent electrical properties and conformal structure of the device. The dynamics of annealing greatly influence the electrical properties of the gate stack and consequently the reliability of the process as well as manufacturable device. Again, the choice of the annealing technique (migration of thermal flux into the layer), time-temperature cycle and sequence are key parameters influencing the device’s output characteristics. This work presents a careful selection of annealing process parameters to provide sufficient thermal budget to Si MOSCAP with atomic layer deposited HfSiO high-k gate dielectric and TiN gate metal. The post-process annealing temperatures in the range of 600°C -1000°C with rapid dwell time provide a better trade-off between the desirable performance of Capacitance-Voltage hysteresis and the leakage current. The defect dynamics is thought to be responsible for the evolution of electrical characteristics in this Si MOSCAP structure specifically designed to tune the trade-off at low frequency for device application. PMID:27571412

Intracellular cleavable poly(2-dimethylaminoethyl methacrylate) functionalized mesoporous silica nanoparticles for efficient siRNA delivery in vitro and in vivo.

PubMed

Lin, Daoshu; Cheng, Qiang; Jiang, Qian; Huang, Yuanyu; Yang, Zheng; Han, Shangcong; Zhao, Yuning; Guo, Shutao; Liang, Zicai; Dong, Anjie

2013-05-21

A low cytotoxicity and high efficiency delivery system with the advantages of low cost and facile fabrication is needed for the application of small interfering RNA (siRNA) delivery both in vitro and in vivo. For these prerequisites, cationic polymer-mesoporous silica nanoparticles (ssCP-MSNs) were prepared by surface functionalized mesoporous silica nanoparticles with disulfide bond cross-linked poly(2-dimethylaminoethyl methacrylate) (PDMAEMA). In vitro and in vivo evaluations were performed. The synthesized ssCP-MSNs are 100-150 nm in diameter with a pore size of 10 nm and a positively charged surface with a high zeta potential of 27 mV. Consequently, the ssCP-MSNs showed an excellent binding capacity for siRNA, and an enhancement in the cell uptake and cytosolic availability of siRNA. Furthermore, the intracellular reducing cleavage of the disulfide bonds cross-linking the PDMAEMA segments led to intracellular cleavage of PDMAEMA from ssCP-MSNs, which facilitated the intracellular triggered release of siRNA. Therefore, promoted RNA interference was observed in HeLa-Luc cells, which was equal to that of Lipofectamine 2000. Significantly, compared to Lipofectamine 2000, the ssCP-MSNs were more biocompatible, with low cytotoxicity (even non-cytotoxicity) and promotion of cell proliferation to HeLa-Luc cells. The in vivo systemic distribution studies certified that ssCP-MSNs/siRNA could prolong the duration of siRNA in vivo, and that they accumulated in the adrenal gland, liver, lung, spleen, kidney, heart and thymus after intravenous injection. Encouragingly, with the ability to deliver siRNA to a tumor, ssCP-MSNs/siRNA showed a tumor suppression effect in the HeLa-Luc xenograft murine model after intravenous injection. Therefore, the ssCP-MSNs cationic polymer-mesoporous silica nanoparticles with low cytotoxicity are promising for siRNA delivery.

Composition dependences of crystal structure and electrical properties of epitaxial Pb(Zr,Ti)O3 films grown on Si and SrTiO3 substrates

NASA Astrophysics Data System (ADS)

Okamoto, Shoji; Okamoto, Satoshi; Yokoyama, Shintaro; Akiyama, Kensuke; Funakubo, Hiroshi

2016-10-01

{100}-oriented Pb(Zr x ,Ti1- x )O3 (PZT) thin films of approximately 2 µm thickness and Zr/(Zr + Ti) ratios of 0.39-0.65 were epitaxially grown on (100)cSrRuO3//(100)SrTiO3 (STO) and (100)cSrRuO3//(100)cLaNiO3//(100)CeO2//(100)YSZ//(100)Si (Si) substrates having different thermal expansion coefficients by pulsed metal-organic chemical vapor deposition (MOCVD). The effects of Zr/(Zr + Ti) ratio and type of substrate on the crystal structure and dielectric, ferroelectric and piezoelectric properties of the films were systematically investigated. The X-ray diffraction measurement showed that both films changed from having a tetragonal symmetry to rhombohedral symmetry through the coexisting region with increasing Zr/(Zr + Ti) ratio. This region showed the Zr/(Zr + Ti) ratios of 0.45-0.59 for the films on the STO substrates that were wider than the films on the Si substrates. Saturation polarization values were minimum at approximately Zr/(Zr + Ti) = 0.50 for the films on the STO substrates, and no obvious Zr/(Zr + Ti) ratio dependence was detected in the films on the Si substrates. On the other hand, the maximum field-induced strain values measured by scanning force microscopy at approximately Zr/(Zr + Ti) = 0.50 at 100 kV/cm were about 0.5 and 0.1% in the films on the Si and STO, respectively.

Low-Temperature Silicon Epitaxy by Remote, Plasma - Chemical Vapor Deposition

NASA Astrophysics Data System (ADS)

Habermehl, Scott Dwight

The dynamics of low temperature Si homoepitaxial and heteroepitaxial growth, by remote plasma enhanced chemical vapor deposition, RPECVD, have been investigated. For the critical step of pre-deposition surface preparation of Si(100) surfaces, the attributes of remote plasma generated atomic H are compared to results obtained with a rapid thermal desorption, RTD, technique and a hybrid H-plasma/RTD technique. Auger electron spectroscopy, AES, and electron diffraction analysis indicate the hybrid technique to be very effective at surface passivation, while the RTD process promotes the formation of SiC precipitates, which induce defective epitaxial growth. For GaP and GaAs substrates, the use of atomic H exposure is investigated as a surface passivation technique. AES shows this technique to be effective at producing atomically clean surfaces. For processing at 400^circrm C, the GaAs(100) surface is observed to reconstruct to a c(8 x 2)Ga symmetry while, at 530^ circrm C the vicinal GaP(100) surface, miscut 10^circ , is observed to reconstruct to a (1 x n) type symmetry; an unreconstructed (1 x 1) symmetry is observed for GaP(111). Differences in the efficiency with which native oxides are removed from the surface are attributed to variations in the local atomic bonding order of group V oxides. The microstructure of homoepitaxial Si films, deposited at temperatures of 25-450^circ rm C and pressures of 50-500 mTorr, is catalogued. Optimized conditions for the deposition of low defect, single crystal films are identified. The existence of two pressure dependent regimes for process activation are observed. In-situ mass spectral analysis indicates that the plasma afterglow is dominated by monosilane ions below 200 mTorr, while above 200 mTorr, low mass rm H_{x} ^+ (x = 1,2,3) and rm HHe^+ ions dominate. Consideration of the growth rate data indicates that downstream dissociative silane ionization, in the lower pressure regime, is responsible for an enhanced surface H abstraction rate. The observed increase in growth rate is concluded to be a manifestation of increased deposition site activation, resulting from the enhanced H abstraction mechanism. Secondary ion mass spectrometry measurements, of H incorporation in the Si films, yield an "effective" activation energy for the abstraction of surface H. A shift in the activation energy between 50 mTorr (0.7 eV) and 500 mTorr (0.3 eV) supports the conclusions for an ion-induced H abstraction mechanism. From this, a chemical sputtering reaction is proposed, whereby impinging ions react with chemisorbed H to form volatile species. Heteroepitaxial Si thin films are deposited upon GaP and GaAs surfaces. AES is used to evaluate the growth mode of Si on GaP(111) and vicinal GaP(100). In both instances, the data indicates a modified layer-plus-island growth mechanism, with possible interfacial alloy mixing. High quality epitaxial growth is observed to proceed on vicinal GaP(100) surfaces beyond the predicted critical thickness for strain relief of 140 A. For GaP(111), defective structures are observed well below the predicted critical thickness. This discrepancy is attributed to low precursor surface diffusion kinetics that are accommodated by the presence of steps on the vicinal surface. For deposition of Si on GaAs(100), disordered structure is observed within the first few monolayers of growth, which is in agreement with the predicted critical thickness for this system of approximately 10 A.

Heterogeneous nucleation of pits via step pinning during Si(100) homoepitaxy

NASA Astrophysics Data System (ADS)

Yitamben, E. N.; Butera, R. E.; Swartzentruber, B. S.; Simonson, R. J.; Misra, S.; Carroll, M. S.; Bussmann, E.

2017-11-01

Using scanning tunneling microscopy (STM), we investigate oxide-induced growth pits in Si thin films deposited by molecular beam epitaxy. In the transition temperature range from 2D adatom islanding to step-flow growth, systematic controlled air leaks into the growth chamber induce pits in the growth surface. We show that pits are also correlated with oxygen-contaminated flux from Si sublimation sources. From a thermodynamic standpoint, multilayer growth pits are unexpected in relaxed homoepitaxial growth, whereas oxidation is a known cause for step pinning, roughening, and faceting on elemental surfaces, both with and without growth flux. Not surprisingly, pits are thermodynamically metastable and heal by annealing to recover a smooth periodic step arrangement. STM reveals new details about the pits’ atomistic origins and growth dynamics. We give a model for heterogeneous nucleation of pits by preferential adsorption of Å-sized oxide nuclei at intrinsic growth antiphase boundaries, and subsequent step pinning and bunching around the nuclei.

Capacitorless 1T-DRAM on crystallized poly-Si TFT.

PubMed

Kim, Min Soo; Cho, Won Ju

2011-07-01

The single-transistor dynamic random-access memory (1T-DRAM) using a polycrystalline-silicon thin-film transistor (poly-Si TFT) was investigated. A 100-nm amorphous silicon thin film was deposited onto a 200-nm oxidized silicon wafer via low-pressure chemical vapor deposition (LPCVD), and the amorphous silicon layer was crystallized via eximer laser annealing (ELA) with a KrF source of 248 nm wavelength and 400 mJ/cm2 power. The fabricated capacitor less 1T-DRAM on the poly-Si TFT was evaluated via impact ionization and gate-induced drain leakage (GIDL) current programming. The device showed a clear memory margin between the "1" and "0" states, and as the channel length decreased, a floating body effect which induces a kink effect increases with high mobility. Furthermore, the GIDL current programming showed improved memory properties compared to the impact ionization method. Although the sensing margins and retention times in both program methods are commercially insufficient, it was confirmed the feasibility of the application of 1T-DRAM operation to TFTs.

Heterogeneous nucleation of pits via step pinning during Si(100) homoepitaxy

DOE PAGES

Yitamben, Esmeralda; Butera, Robert E.; Swartzentruber, Brian S.; ...

2017-10-16

Using scanning tunneling microscopy (STM), we investigate oxide-induced growth pits in Si thin films deposited by molecular beam epitaxy. In the transition temperature range from 2D adatom islanding to step-flow growth, systematic controlled air leaks into the growth chamber induce pits in the growth surface. We show that pits are also correlated with oxygen-contaminated flux from Si sublimation sources. From a thermodynamic standpoint, multilayer growth pits are unexpected in relaxed homoepitaxial growth, whereas oxidation is a known cause for step-pinning, roughening, and faceting on elemental surfaces, both with and without growth flux. Not surprisingly, pits are thermodynamically metastable and healmore » by annealing to recover a smooth periodic step arrangement. STM reveals new details about the pits' atomistic origins and growth dynamics. Here, we give a model for heterogeneous nucleation of pits by preferential adsorption of Å-sized oxide nuclei at intrinsic growth antiphase boundaries, and subsequent step pinning and bunching around the nuclei.« less

Structure of single-supported DMPC lipid bilayer membranes as a function of hydration level studied by neutron reflectivity and Atomic Force Microscopy

NASA Astrophysics Data System (ADS)

Miskowiec, A.; Schnase, P.; Bai, M.; Taub, H.; Hansen, F. Y.; Dubey, M.; Singh, S.; Majewski, J.

2012-02-01

We have recently been investigating the diffusion of water on single-supported DMPC lipid bilayer membranes at different levels of hydration, using high-resolution quasielastic neutron scattering (QNS). To aid in the interpretation of these QNS studies, we have conducted neutron reflectivity (NR) measurements on SPEAR at LANSCE to characterize the structure of similarly prepared samples. Protonated DMPC membranes were deposited onto SiO2-coated Si(100) substrates and characterized by Atomic Force Microscopy (AFM) at different levels of hydration. We find reasonable agreement between the membrane thickness determined by NR and AFM at room temperature. We also find consistency between the scattering length density (SLD) profile in the vicinity of the upper leaflet of the supported DMPC membrane and that found in a molecular dynamics simulation of a freestanding membrane at 303 K. However, the fit to the reflectivity curve can be improved by modifying the SLD profile near the leaflet closest to the SiO2 surface.

Analysis of structural changes in active site of luciferase adsorbed on nanofabricated hydrophilic Si surface by molecular-dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishiyama, Katsuhiko; Hoshino, Tadatsugu; Graduate School of Pharmaceutical Sciences, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522

2007-05-21

Interactions between luciferase and a nanofabricated hydrophilic Si surface were explored by molecular-dynamics simulations. The structural changes in the active-site residues, the residues affecting the luciferin binding, and the residues affecting the bioluminescence color were smaller on the nanofabricated hydrophilic Si surface than on both a hydrophobic Si surface and a hydrophilic Si surface. The nanofabrication and wet-treatment techniques are expected to prevent the decrease in activity of luciferase on the Si surface.

Orbital-free extension to Kohn-Sham density functional theory equation of state calculations: Application to silicon dioxide

DOE PAGES

Sjostrom, Travis; Crockett, Scott

2015-09-02

The liquid regime equation of state of silicon dioxide SiO 2 is calculated via quantum molecular dynamics in the density range of 5 to 15 g/cc and with temperatures from 0.5 to 100 eV, including the α-quartz and stishovite phase Hugoniot curves. Below 8 eV calculations are based on Kohn-Sham density functional theory (DFT), and above 8 eV a new orbital-free DFT formulation, presented here, based on matching Kohn-Sham DFT calculations is employed. Recent experimental shock data are found to be in very good agreement with the current results. Finally both experimental and simulation data are used in constructing amore » new liquid regime equation of state table for SiO 2.« less

Photodecomposition of Mo(CO)[sub 6]/Si(111) 7[times]7: CO state-resolved evidence for excited state relaxation and quenching

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chu, P.M.; Buntin, S.A.; Richter, L.J.

1994-08-15

State-resolved detection techniques have been used to characterize the ultraviolet photodecomposition dynamics of Mo(CO)[sub 6] on Si(111) 7[times]7 at 100 K. Details of the excitation/fragmentation mechanism including adsorbate energy transfer were examined by measuring the cross sections and the internal and translational energies of the photoejected CO from submonolayer through multilayer coverage regimes. The CO energy distributions are found to be independent of Mo(CO)[sub 6] coverage, and can be characterized by two components with markedly different mean energies. In contrast to the coverage independence of the measured energy disposal, the cross section was found to decrease by a factor ofmore » 3 from multilayer coverages to submonolayer coverages.« less

Orientation dependence of ferroelectric and piezoelectric properties of Bi3.15Nd0.85Ti3O12 thin films on Pt(100)/TiO2/SiO2/Si substrates

NASA Astrophysics Data System (ADS)

Hu, G. D.

2006-11-01

Bi3.15Nd0.85Ti3O12 (BNT0.85) thin films with (100) [α(100)=87.8%], (117) [α(117)=77.1%], and (001) [α(001)=98.8%] preferred orientations were deposited on Pt(100)/TiO2/SiO2/Si substrates using a metal organic decomposition process. The remanent polarization of (100)-predominant BNT0.85 film is about 50% and three times larger than those of (117)-preferred and (001)-oriented films, respectively, suggesting that the major polarization vector of BNT0.85 is close to the a axis rather than the c axis. This result can be further demonstrated by the piezoelectric measurements using an atomic force microscope in the piezoresponse mode.

Defect-Induced Nucleation and Epitaxy: A New Strategy toward the Rational Synthesis of WZ-GaN/3C-SiC Core-Shell Heterostructures.

PubMed

Liu, Baodan; Yang, Bing; Yuan, Fang; Liu, Qingyun; Shi, Dan; Jiang, Chunhai; Zhang, Jinsong; Staedler, Thorsten; Jiang, Xin

2015-12-09

In this work, we demonstrate a new strategy to create WZ-GaN/3C-SiC heterostructure nanowires, which feature controllable morphologies. The latter is realized by exploiting the stacking faults in 3C-SiC as preferential nucleation sites for the growth of WZ-GaN. Initially, cubic SiC nanowires with an average diameter of ∼100 nm, which display periodic stacking fault sections, are synthesized in a chemical vapor deposition (CVD) process to serve as the core of the heterostructure. Subsequently, hexagonal wurtzite-type GaN shells with different shapes are grown on the surface of 3C-SiC wire core. In this context, it is possible to obtain two types of WZ-GaN/3C-SiC heterostructure nanowires by means of carefully controlling the corresponding CVD reactions. Here, the stacking faults, initially formed in 3C-SiC nanowires, play a key role in guiding the epitaxial growth of WZ-GaN as they represent surface areas of the 3C-SiC nanowires that feature a higher surface energy. A dedicated structural analysis of the interfacial region by means of high-resolution transmission electron microscopy (HRTEM) revealed that the disordering of the atom arrangements in the SiC defect area promotes a lattice-matching with respect to the WZ-GaN phase, which results in a preferential nucleation. All WZ-GaN crystal domains exhibit an epitaxial growth on 3C-SiC featuring a crystallographic relationship of [12̅10](WZ-GaN) //[011̅](3C-SiC), (0001)(WZ-GaN)//(111)(3C-SiC), and d(WZ-GaN(0001)) ≈ 2d(3C-SiC(111)). The approach to utilize structural defects of a nanowire core to induce a preferential nucleation of foreign shells generally opens up a number of opportunities for the epitaxial growth of a wide range of semiconductor nanostructures which are otherwise impossible to acquire. Consequently, this concept possesses tremendous potential for the applications of semiconductor heterostructures in various fields such as optics, electrics, electronics, and photocatalysis for energy harvesting and environment processing.

Dynamic NBTI effects in HfSiON.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Devine, Roderick A. B.; Kambour, Kenneth E.; Hjalmarson, Harold Paul

2010-12-01

Negative bias temperature instability is an issue of critical importance as the space electronics industry evolves because it may dominate the reliability lifetime. Understanding its physical origin is therefore essential in determining how best to search for methods of mitigation. It has been suggested that the magnitude of the effect is strongly dependent on circuit operation conditions (static or dynamic modes). In the present work, we examine the time constants related to the charging and recovery of trapped charged induced by NBTI in HfSiON gate dielectric devices. In previous work, we avoided the issue of charge relaxation during acquisition ofmore » the I{sub ds}(V{sub gs}) curve by invoking a continuous stressing technique whereby {Delta}V{sub th} was extracted from a series of single point I{sub ds} measurements. This method relied heavily on determination of the initial value of the source-drain current (I{sub ds}{sup o}) prior to application of gate-source stress. In the present work we have used a new pulsed measurement system (Keithley SCS 4200-PIV) which not only removes this uncertainty but also permits dynamic measurements in which devices are AC stressed (Fig. 1a) or subjected to cycles of continued DC stresses followed by relaxation (Fig. 1b). We can now examine the charging and recovery characteristics of NBTI with higher precision than previously possible. We have performed NBTI stress experiments at room temperature on p-channel MOSFETs made with HfSiON gate dielectrics. In all cases the devices were stressed in the linear regime with V{sub ds}=-0.1V. We have defined two separate waveforms/pulse trains as illustrated in Fig 1. These were applied to the gate of the MOSFET. Firstly we examined the charging characteristics by applying an AC stress at 2.5MHz or 10Hz for different times. For a 50% duty cycle this corresponded to V{sub gs} = - 2V pulses for 200ns or 500ms followed by V{sub gs} = 0V pulses for 200ns or 500ms recovery respectively. In between 'bursts' of AC stress cycles, the I{sub ds}(V{sub gs}) characteristic in the range (-0.6V, -1.3V) was measured in 10.2 {micro}s. V{sub th} was extracted directly from this curve, or from a single I{sub ds} point normalized to the initial I{sub ds}{sup o} using our previous method. The resulting I{sub ds}/I{sub ds}{sup o} curves are compared; in Fig 2, the continuous stress results are included. In the second method, we examined the recovery dynamic by holding V{sub gs} = 0V for a finite amount of time (range 100 ns to 100 ms) following stress at V{sub gs} = - 2V for various times. In Fig 3 we compare |{Delta}V{sub th}(t)| results for recovery times of 100ms, 1ms, 100{micro}s, 50{micro}s, 25{micro}s, 10{micro}s, 100ns, and DC (i.e. no recovery) The data in Fig 2 shows that with a high frequency stress (2.5MHz) devices undergo significantly less (but finite) current degradation than devices stressed at 10Hz. This appears to be limited by charging and not by recovery. Fig 3 supports this hypothesis since for 100ns recovery periods, only a small percentage of the trapped charge relaxes. Detailed explanation of these experiments will be presented at the conference.« less

High attenuation in MgSiO3 post-perovskite due to [100] dislocation glide under D'' conditions: an atomic scale study

NASA Astrophysics Data System (ADS)

Cordier, P.; Goryaeva, A.; Carrez, P.

2016-12-01

Dislocation motion in crystalline materials represents one of the most efficient mechanisms to produce plastic shear, the key mechanism for CPO development. Previous atomistic simulations show that MgSiO3 ppv is characterized by remarkably low lattice friction opposed to the glide of straight [100] screw dislocations in (010), while glide in (001) requires one order of magnitude larger stress values [1]. At finite temperature, dislocation glide occurs through nucleation and propagation of kink-pairs, i.e. dislocation does not move as a straight line, but partly bows out over the Peierls potential. We propose a theoretical study of a kink-pair formation mechanism for [100] screw dislocations in MgSiO3 ppv employing the line tension (LT) model [2] in conjunction with ab-initio atomic-scale modeling. The dislocation line tension, which plays a key role in dislocation dynamics, is computed at atomic scale as the energy increase resulting from individual atomic displacements due to the nucleation of a bow out. The estimated kink-pair formation enthalpy gives an access to evolution of critical resolved shear stress (CRSS) with temperature. Our results clearly demonstrate that at the lower mantle conditions, lattice friction in ppv vanishes for temperatures above ca. 600 K, i.e. ppv deforms in the athermal regime in contrast to the high-lattice friction bridgmanite [3]. Moreover, in the Earth's mantle, high-pressure Mg-ppv can be expected to be as ductile as MgO. Our simulations demonstrate that ppv contributes to a weak layer at the base of the mantle which is likely to promote alignment of (010) planes. In addition to that, we show that the high mobility of [100] dislocations results in a decrease of the apparent shear modulus (up to 15%) which contributes to a decrease of the shear wave velocity of about 7% and suggest that ppv induces energy dissipation and strong seismic attenuation in the D" layer. References[1] Goryaeva A, Carrez Ph & Cordier P (2015) Modeling defects and plasticity in MgSiO3 post-perovskite: Part 2 - screw and edge [100] dislocations. Phys. Chem. Miner. 45:793-803 [2] Seeger A (1984) in "Dislocations", CNRS, Paris, p. 141. [3] Kraych A, Carrez Ph & Cordier P (2016) On dislocation glide in MgSiO3 bridgmanite at high pressure and high-temperature. Earth Planet. Sci. Lett. submitted.

The influence of coadsorbed sodium atoms on the chemisorption of benzoic acid on Si(100)-2×1

NASA Astrophysics Data System (ADS)

Bitzer, T.; Richardson, N. V.

1999-06-01

The adsorption of benzoic acid on Na-Si(100)-2×1 ( ΘNa=0.5) at room temperature leads to benzoate in a bidentate coordination. High-resolution electron energy loss spectroscopy spectra show an intense ν s(OCO) stretching vibration, which is characteristic for benzoate aligned perpendicular to the substrate surface. In contrast, we observe monodentate benzoate species following the exposure of Si(100)-2×1 to benzoic acid at room temperature. On both surfaces, the dissociated hydrogen atom bonds to one of the silicon surface atoms. Removal of benzoate from Na-Si(100)-2×1 is observed after heating the silicon substrate to 300°C for 1 min.

Efficacy and safety of losartan 100 mg/hydrochlorothiazide 12.5 mg in Japanese subjects with essential hypertension: two randomized, controlled trials.

PubMed

Rakugi, Hiromi; Tsuchihashi, Takuya; Shimada, Kazuyuki; Numaguchi, Hirotaka; Nishida, Chisato; Yamaguchi, Hiroya; Fujimoto, Go; Azuma, Kyoichi; Shirakawa, Masayoshi; Hanson, Mary E; Fujita, Kenji P

2014-12-01

Two randomized studies were designed to assess the safety, tolerability and efficacy of losartan 100 mg (L100) plus hydrochlorothiazide 12.5 mg (H12.5) in a single fixed-dose combination. In one study, subjects received losartan 50 mg (L50) plus H12.5 during an 8-week filter period. They were then randomized to either L100/H12.5 or L50/H12.5 for another 8 weeks, followed by L100/H12.5 for 44 weeks. The primary end point was safety of L100/H12.5 for 52 weeks. In the second study, subjects received L100 during an 8-week filter period. Subjects were then randomized to receive either L100/H12.5 or L100 for a further 8 weeks. The primary end point was change from baseline in sitting diastolic blood pressure (SiDBP) at week 8. Safety was assessed throughout both studies. L100/H12.5 reduced SiDBP and sitting systolic blood pressure (SiSBP) at 8 weeks, and when compared with L100, the differences were statistically significant for both measures (P<0.001). L100/H12.5 reductions SiDBP for 8 weeks were comparable to L50/H12.5. The efficacy of L100/H12.5 was maintained to week 52. Drug-related adverse events with an incidence ⩾ 2% in the L100/H12.5 group during the 52-week extension period were an increase in aspartate aminotransferase and in blood uric acid. Additionally, mean uric acid levels were reduced by 0.57 mg dl(-1) from baseline with long-term treatment with L100/H12.5 in subjects whose baseline uric acid level was >7.0 mg dl(-1). In conclusion, L100/H12.5 was shown to be more effective than L100 at reducing SiDBP and SiSBP and showed good tolerability in Japanese patients with essential hypertension.

First-principles prediction of the softening of the silicon shock Hugoniot curve

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, S. X.; Militzer, B.; Collins, L. A.

Here, whock compression of silicon (Si) under extremely high pressures (>100 Mbar) was investigated by using two first-principles methods of orbital-free molecular dynamics (OFMD) and path integral Monte Carlo (PIMC). While pressures from the two methods agree very well, PIMC predicts a second compression maximum because of 1s electron ionization that is absent in OFMD calculations since Thomas–Fermi-based theories lack inner shell structure. The Kohn–Sham density functional theory is used to calculate the equation of state (EOS) of warm dense silicon for low-pressure loadings (P < 100 Mbar). Combining these first-principles EOS results, the principal Hugoniot curve of silicon formore » pressures varying from 0.80 Mbar to above ~10 Gbar was derived. We find that silicon is ~20% or more softer than what was predicted by EOS models based on the chemical picture of matter. Existing experimental data (P ≈ 1–2 Mbar) seem to indicate this softening behavior of Si, which calls for future strong-shock experiments (P > 10 Mbar) to benchmark our results.« less

First-principles prediction of the softening of the silicon shock Hugoniot curve

DOE PAGES

Hu, S. X.; Militzer, B.; Collins, L. A.; ...

2016-09-15

Here, whock compression of silicon (Si) under extremely high pressures (>100 Mbar) was investigated by using two first-principles methods of orbital-free molecular dynamics (OFMD) and path integral Monte Carlo (PIMC). While pressures from the two methods agree very well, PIMC predicts a second compression maximum because of 1s electron ionization that is absent in OFMD calculations since Thomas–Fermi-based theories lack inner shell structure. The Kohn–Sham density functional theory is used to calculate the equation of state (EOS) of warm dense silicon for low-pressure loadings (P < 100 Mbar). Combining these first-principles EOS results, the principal Hugoniot curve of silicon formore » pressures varying from 0.80 Mbar to above ~10 Gbar was derived. We find that silicon is ~20% or more softer than what was predicted by EOS models based on the chemical picture of matter. Existing experimental data (P ≈ 1–2 Mbar) seem to indicate this softening behavior of Si, which calls for future strong-shock experiments (P > 10 Mbar) to benchmark our results.« less

Toggling Bistable Atoms via Mechanical Switching of Bond Angle

NASA Astrophysics Data System (ADS)

Sweetman, Adam; Jarvis, Sam; Danza, Rosanna; Bamidele, Joseph; Gangopadhyay, Subhashis; Shaw, Gordon A.; Kantorovich, Lev; Moriarty, Philip

2011-04-01

We reversibly switch the state of a bistable atom by direct mechanical manipulation of bond angle using a dynamic force microscope. Individual buckled dimers at the Si(100) surface are flipped via the formation of a single covalent bond, actuating the smallest conceivable in-plane toggle switch (two atoms) via chemical force alone. The response of a given dimer to a flip event depends critically on both the local and nonlocal environment of the target atom—an important consideration for future atomic scale fabrication strategies.

Impedimetric genosensor for detection of hepatitis C virus (HCV1) DNA using viral probe on methylene blue doped silica nanoparticles.

PubMed

Singhal, Chaitali; Ingle, Aviraj; Chakraborty, Dhritiman; Pn, Anoop Krishna; Pundir, C S; Narang, Jagriti

2017-05-01

An impedimetric genosensor was fabricated for detection of hepatitis C virus (HCV) genotype 1 in serum, based on hybridization of the probe with complementary target cDNA from sample. To achieve it, probe DNA complementary to HCVgene was immobilized on the surface of methylene blue (MB) doped silica nanoparticles MB@SiNPs) modified fluorine doped tin oxide (FTO) electrode. The synthesized MB@SiNPs was characterized using scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) pattern. This modified electrode (ssDNA/MB@SiNPs/FTO) served both as a signal amplification platform (due to silica nanoparticles (SiNPs) as well as an electrochemical indicator (due to methylene blue (MB)) for the detection of the HCV DNA in patient serum sample. The genosensor was optimized and evaluated. The sensor showed a dynamic linear range 100-10 6 copies/mL, with a detection limit of 90 copies/mL. The sensor was applied for detection of HCV in sera of hepatitis patient and could be renewed. The half life of the sensor was 4 weeks. The MB@SiNPs/FTO electrode could be used for preparation of other gensensors also. Copyright © 2017 Elsevier B.V. All rights reserved.

On the role of mobile nanoclusters in 2D island nucleation on Si(111)-(7 × 7) surface

NASA Astrophysics Data System (ADS)

Rogilo, D. I.; Fedina, L. I.; Kosolobov, S. S.; Latyshev, A. V.

2018-01-01

Two-dimensional (2D) Si island nucleation has been studied by in situ reflection electron microscopy within a wide temperature range (650-1090 °C ) on large-scale (∼10-100 μm) terraces to exclude the impact of step permeability and adatom sink to steps. The dependence of 2D island concentration N2D on substrate temperature T and Si deposition rate R displays N2D∝Rχexp (E2D/kT) scaling which parameters change from χ≈0.81, E2D≈1.02 eV to χ≈0.5, E2D≈1.8 eV when Si(111) surface converts from (1 × 1) structure to (7 × 7) reconstruction. We propose that this strong E2D rise accompanied by χ reduction is caused by the change of dominating diffusing particles from adatoms to reconstruction induced nanoclusters. Using a rate-equation model developed to account the dynamics of both diffusing species on the Si(111)-(7 × 7) surface, we show that a stable nucleus of a 2D island appears when two mobile nanoclusters merge together while nucleation kinetics is limited by their attachment to island edges.

Corrosion Studies in Support of Medium Power Lead Alloy Cooled Reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eric Loewen; Ronald Ballinger; Jeongyoun Lim

2004-09-01

The performance of structural materials in lead or lead-bismuth eutectic (LBE) systems is evaluated. The materials evaluated included refractory metals (W, Mo, and Ta), several U.S. steels [austenitic steel (316L), carbon steels (F-22, Fe-Si), ferritic/martensitic steels (HT-9 and 410)], and several experimental Fe-Si-Cr alloys that were expected to demonstrate corrosion resistance. The materials were exposed in either an LBE rotating electrode or a dynamic corrosion cell for periods from 100 to 1000 h at temperatures of 400, 500, 600, and 700°C, depending on material and exposure location. Weight change and optical scanning electron microscopy or X-ray analysis of the specimenmore » were used to characterize oxide film thickness, corrosion depth, microstructure, and composition changes. The results of corrosion tests validate the excellent resistance of refractory metals (W, Ta, and Mo) to LBE corrosion. The tests conducted with stainless steels (410, 316L, and HT-9) produced mass transfer of elements (e.g., Ni and Cr) into the LBE, resulting in degradation of the material. With Fe-Si alloys a Si-rich layer (as SiO2) is formed on the surface during exposure to LBE from the selective dissolution of Fe.« less

Corrosion Studies in Support of Medium-Power Lead-Alloy-Cooled Reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loewen, Eric P.; Ballinger, Ronald G.; Lim, Jeongyoun

2004-09-15

The performance of structural materials in lead or lead-bismuth eutectic (LBE) systems is evaluated. The materials evaluated included refractory metals (W, Mo, and Ta), several U.S. steels [austenitic steel (316L), carbon steels (F-22, Fe-Si), ferritic/martensitic steels (HT-9 and 410)], and several experimental Fe-Si-Cr alloys that were expected to demonstrate corrosion resistance. The materials were exposed in either an LBE rotating electrode or a dynamic corrosion cell for periods from 100 to 1000 h at temperatures of 400, 500, 600, and 700 deg. C, depending on material and exposure location. Weight change and optical scanning electron microscopy or X-ray analysis ofmore » the specimen were used to characterize oxide film thickness, corrosion depth, microstructure, and composition changes. The results of corrosion tests validate the excellent resistance of refractory metals (W, Ta, and Mo) to LBE corrosion. The tests conducted with stainless steels (410, 316L, and HT-9) produced mass transfer of elements (e.g., Ni and Cr) into the LBE, resulting in degradation of the material. With Fe-Si alloys a Si-rich layer (as SiO{sub 2}) is formed on the surface during exposure to LBE from the selective dissolution of Fe.« less

Molecular beam epitaxy and metalorganic chemical vapor deposition growth of epitaxial CdTe on (100) GaAs/Si and (111) GaAs/Si substrates

NASA Technical Reports Server (NTRS)

Nouhi, A.; Radhakrishnan, G.; Katz, J.; Koliwad, K.

1988-01-01

Epitaxial CdTe has been grown on both (100)GaAs/Si and (111)GaAs/Si substrates. A combination of molecular beam epitaxy (MBE) and metalorganic chemical vapor deposition (MOCVD) has been employed for the first time to achieve this growth: the GaAs layers are grown on Si substrates by MBE and the CdTe film is subsequently deposited on GaAs/Si by MOCVD. The grown layers have been characterized by X-ray diffraction, scanning electron microscopy, and photoluminescence.

Ternary complexes of folate-PEG-appended dendrimer (G4)/α-cyclodextrin conjugate, siRNA and low-molecular-weight polysaccharide sacran as a novel tumor-selective siRNA delivery system.

PubMed

Ohyama, Ayumu; Higashi, Taishi; Motoyama, Keiichi; Arima, Hidetoshi

2017-06-01

We previously developed a tumor-selective siRNA carrier by preparing polyamidoamine dendrimer (generation 4, G4) conjugates with α-cyclodextrin and folate-polyethylene glycol (Fol-PαC (G4)). In the present study, we developed ternary complexes of Fol-PαC (G4)/siRNA with low-molecular-weight-sacrans to achieve more effective siRNA transfer activity. Among the different molecular-weight sacrans, i.e. sacran 100, 1000 and 10,000 (MW 44,889Da, 943,692Da and 1,488,281Da, respectively), sacran 100 significantly increased the cellular uptake and the RNAi effects of Fol-PαC (G4)/siRNA binary complex with negligible cytotoxicity in KB cells (folate receptor-α positive cells). In addition, the ζ-potential and particle size of Fol-PαC (G4)/siRNA complex were decreased by the ternary complexation with sacran 100. Importantly, the in vivo RNAi effect of the ternary complex after the intravenous administration to tumor-bearing BALB/c mice was significantly higher than that of the binary complex. In conclusion, Fol-PαC (G4)/siRNA/sacran 100 ternary complex has a potential as a novel tumor-selective siRNA delivery system. Copyright © 2017 Elsevier B.V. All rights reserved.

Atomic-order thermal nitridation of group IV semiconductors for ultra-large-scale integration

NASA Astrophysics Data System (ADS)

Murota, Junichi; Le Thanh, Vinh

2015-03-01

One of the main requirements for ultra-large-scale integration (ULSI) is atomic-order control of process technology. Our concept of atomically controlled processing for group IV semiconductors is based on atomic-order surface reaction control in Si-based CVD epitaxial growth. On the atomic-order surface nitridation of a few nm-thick Ge/about 4 nm-thick Si0.5Ge0.5/Si(100) by NH3, it is found that N atoms diffuse through nm-order thick Ge layer into Si0.5Ge0.5/Si(100) substrate and form Si nitride, even at 500 °C. By subsequent H2 heat treatment, although N atomic amount in Ge layer is reduced drastically, the reduction of the Si nitride is slight. It is suggested that N diffusion in Ge layer is suppressed by the formation of Si nitride and that Ge/atomic-order N layer/Si1-xGex/Si (100) heterostructure is formed. These results demonstrate the capability of CVD technology for atomically controlled nitridation of group IV semiconductors for ultra-large-scale integration. Invited talk at the 7th International Workshop on Advanced Materials Science and Nanotechnology IWAMSN2014, 2-6 November, 2014, Ha Long, Vietnam.

Reduction of structural defects in thick 4H-SiC epitaxial layers grown on 4° off-axis substrates

NASA Astrophysics Data System (ADS)

Yazdanfar, M.; Ivanov, I. G.; Pedersen, H.; Kordina, O.; Janzén, E.

2013-06-01

By carefully controlling the surface chemistry of the chemical vapor deposition process for silicon carbide (SiC), 100 μm thick epitaxial layers with excellent morphology were grown on 4° off-axis SiC substrates at growth rates exceeding 100 μm/h. In order to reduce the formation of step bunching and structural defects, mainly triangular defects, the effect of varying parameters such as growth temperature, C/Si ratio, Cl/Si ratio, Si/H2 ratio, and in situ pre-growth surface etching time are studied. It was found that an in-situ pre growth etch at growth temperature and pressure using 0.6% HCl in hydrogen for 12 min reduced the structural defects by etching preferentially on surface damages of the substrate surface. By then applying a slightly lower growth temperature of 1575 °C, a C/Si ratio of 0.8, and a Cl/Si ratio of 5, 100 μm thick, step-bunch free epitaxial layer with a minimum triangular defect density and excellent morphology could be grown, thus enabling SiC power device structures to be grown on 4° off axis SiC substrates.

In-plane orientation and composition dependences of crystal structure and electrical properties of {100}-oriented Pb(Zr,Ti)O3 films grown on (100) Si substrates by metal organic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Okamoto, Shoji; Sankara Rama Krishnan, P. S.; Okamoto, Satoshi; Yokoyama, Shintaro; Akiyama, Kensuke; Funakubo, Hiroshi

2017-10-01

In-plane orientation-controlled Pb(Zr x ,Ti1- x )O3 (PZT) films with a thickness of approximately 2 µm and a Zr/(Zr + Ti) ratio of 0.39-0.65 were grown on (100) Si substrates by pulsed metal-organic chemical vapor deposition (MOCVD). In-plane-oriented epitaxial PZT films and in-plane random fiber-textured PZT films with {100} out-of-plane orientation were grown on (100)c SrRuO3//(100)c LaNiO3//(100) CeO2//(100) YSZ//(100) Si and (100)c SrRuO3/(100)c LaNiO3/(111) Pt/TiO2/SiO2/(100) Si substrates, respectively. The effects of Zr/(Zr + Ti) ratio and in-plane orientation on the crystal structure, dielectric, ferroelectric, and piezoelectric properties of the films were systematically investigated. The X-ray diffraction measurement showed that the epitaxial PZT films had a higher volume fraction of (100) orientation than the fiber-textured PZT films in the tetragonal Zr/(Zr + Ti) ratio region. A large difference was not detected between the epitaxial films and the fiber-textured films for Zr/(Zr + Ti) ratio dependence of the dielectric constant, and remanent polarization. However, in the rhombohedral phase region [Zr/(Zr + Ti) = 0.65], coercive field was found to be 1.5-fold different between the epitaxial and fiber-textured PZT films. The maximum field-induced strains measured at 0-100 kV/cm by scanning atomic force microscopy were obtained at approximately Zr/(Zr + Ti) = 0.50 and were about 0.5 and 0.3% for the epitaxial and fiber-textured PZT films, respectively.

Consequences of Energetic Frustration on the Ligand-Coupled Folding/Dimerization Dynamics of Allosteric Protein S100A12.

PubMed

Ren, Weitong; Li, Wenfei; Wang, Jun; Zhang, Jian; Wang, Wei

2017-10-26

Allosteric proteins are featured by energetic degeneracy of two (or more) functionally relevant conformations, therefore their energy landscapes are often locally frustrated. How such frustration affects the protein folding/binding dynamics is not well understood. Here, by using molecular simulations we study the consequences of local frustration in the dimerization dynamics of allosteric proteins based on a homodimer protein S100A12. Despite of the structural symmetry of the two EF-hand motifs in the three-dimensional structures, the S100A12 homodimer shows allosteric behaviors and local frustration only in half of its structural elements, i.e., the C-terminal EF-hand. We showed that such spatially asymmetric location of frustration leads to asymmetric dimerization pathways, in which the dimerization is dominantly initiated by the interchain binding of the minimally frustrated N-terminal EF-hands, achieving optimal balance between the requirements of rapid conformational switching and interchain assembling to the energy landscapes. We also showed that the local frustration, as represented by the double-basin topography of the energy landscape, gives rise to multiple cross-linked dimerization pathways, in which the dimerization is coupled with the allosteric motions of the C-terminal EF-hands. Binding of metal ions tends to reshape the energy landscape and modulate the dimerization pathways. In addition, by employing the frustratometer method, we showed that the highly frustrated residue-pairs in the C-terminal EF-hand are partially unfolded during the conformational transitions of the native homodimer, leading to lowing of free energy barrier. Our results revealed tight interplay between the local frustration of the energy landscape and the dimerization dynamics for allosteric proteins.

The Effects of Annealing Temperatures on Composition and Strain in SixGe1−x Obtained by Melting Growth of Electrodeposited Ge on Si (100)

PubMed Central

Abidin, Mastura Shafinaz Zainal; Morshed, Tahsin; Chikita, Hironori; Kinoshita, Yuki; Muta, Shunpei; Anisuzzaman, Mohammad; Park, Jong-Hyeok; Matsumura, Ryo; Mahmood, Mohamad Rusop; Sadoh, Taizoh; Hashim, Abdul Manaf

2014-01-01

The effects of annealing temperatures on composition and strain in SixGe1−x, obtained by rapid melting growth of electrodeposited Ge on Si (100) substrate were investigated. Here, a rapid melting process was performed at temperatures of 1000, 1050 and 1100°C for 1 s. All annealed samples show single crystalline structure in (100) orientation. A significant appearance of Si-Ge vibration mode peak at ~00 cm−1 confirms the existence of Si-Ge intermixing due to out-diffusion of Si into Ge region. On a rapid melting process, Ge melts and reaches the thermal equilibrium in short time. Si at Ge/Si interface begins to dissolve once in contact with the molten Ge to produce Si-Ge intermixing. The Si fraction in Si-Ge intermixing was calculated by taking into account the intensity ratio of Ge-Ge and Si-Ge vibration mode peaks and was found to increase with the annealing temperatures. It is found that the strain turns from tensile to compressive as the annealing temperature increases. The Si fraction dependent thermal expansion coefficient of SixGe1−x is a possible cause to generate such strain behavior. The understanding of compositional and strain characteristics is important in Ge/Si heterostructure as these properties seem to give significant effects in device performance. PMID:28788521

A computational study on the adsorption configurations and reactions of SiHx(x = 1-4) on clean and H-covered Si(100) surfaces

NASA Astrophysics Data System (ADS)

Le, Thong N.-M.; Raghunath, P.; Huynh, Lam K.; Lin, M. C.

2016-11-01

Possible adsorption configurations of H and SiHx (x = 1 - 4) on clean and H-covered Si(100) surfaces are determined by using spin-polarized DFT calculations. The results show that, on the clean surface, the gas-phase hydrogen atom and SiH3 radicals effectively adsorb on the top sites, while SiH and SiH2 prefer the bridge sites of the first layer. Another possibility for SiH is to reside on the hollow sites with a triple-bond configuration. For a partially H-coverd Si(100) surface, the mechanism is similar but with higher adsorption energies in most cases. This suggests that the surface species become more stable in the presence of surface hydrogens. The minimum energy paths for the adsorption/migration and reactions of H/SiHx species on the surfaces are explored using the climbing image-nudged elastic band method. The competitive surface processes for Si thin-film formation from SiHx precursors are also predicted. The study reveals that the migration of hydrogen adatom is unimportant with respect to leaving open surface sites because of its high barriers (>29.0 kcal/mol). Alternatively, the abstraction of hydrogen adatoms by H/SiHx radicals is more favorable. Moreover, the removal of hydrogen atoms from adsorbed SiHx, an essential step for forming Si layers, is dominated by abstraction rather than the decomposition processes.

Thin hybrid pixel assembly with backside compensation layer on ROIC

NASA Astrophysics Data System (ADS)

Bates, R.; Buttar, C.; McMullen, T.; Cunningham, L.; Ashby, J.; Doherty, F.; Gray, C.; Pares, G.; Vignoud, L.; Kholti, B.; Vahanen, S.

2017-01-01

The entire ATLAS inner tracking system will be replaced for operation at the HL-LHC . This will include a significantly larger pixel detector of approximately 15 m2. For this project, it is critical to reduce the mass of the hybrid pixel modules and this requires thinning both the sensor and readout chips to about 150 micrometres each. The thinning of the silicon chips leads to low bump yield for SnAg bumps due to bad co-planarity of the two chips at the solder reflow stage creating dead zones within the pixel array. In the case of the ATLAS FEI4 pixel readout chip thinned to 100 micrometres, the chip is concave, with the front side in compression, with a bow of +100 micrometres at room temperature which varies to a bow of -175 micrometres at the SnAg solder reflow temperature, caused by the CTE mismatch between the materials in the CMOS stack and the silicon substrate. A new wafer level process to address the issue of low bump yield be controlling the chip bow has been developed. A back-side dielectric and metal stack of SiN and Al:Si has been deposited on the readout chip wafer to dynamically compensate the stress of the front side stack. In keeping with a 3D process the materials used are compatible with Through Silicon Via (TSV) technology with a TSV last approach which is under development for this chip. It is demonstrated that the amplitude of the correction can be manipulated by the deposition conditions and thickness of the SiN/Al:Si stack. The bow magnitude over the temperature range for the best sample to date is reduced by almost a factor of 4 and the sign of the bow (shape of the die) remains constant. Further development of the backside deposition conditions is on-going with the target of close to zero bow at the solder reflow temperature and a minimal bow magnitude throughout the temperature range. Assemblies produced from FEI4 readout wafers thinned to 100 micrometres with the backside compensation layer have been made for the first time and demonstrate bond yields close to 100%.

Ultrarapid Multimode Microwave Synthesis of Nano/Submicron β-SiC

PubMed Central

Johnson, Michael; He, Wenzhi; Li, Guangming; Zhao, Chen; Yu, Luling; Huang, Juwen; Zhu, Haochen

2018-01-01

This paper presents the design, development and realization of a fast and novel process for the synthesis of 3C silicon carbide (β-SiC) nanorods and submicron powder. Using SiO2 (or Si) and activated carbon (AC), this process allows β-SiC to be synthesized with almost 100% purity in timeframes of seconds or minutes using multimode microwave rotary tube reactors under open-air conditions. The synthesis temperature used was 1460 ± 50 °C for Si + AC and 1660 ± 50 °C for SiO2 + AC. The shortest β-SiC synthesis time achieved was about 20 s for Si + AC and 100 s for SiO2 + AC. This novel synthesis method allows for scaled-up flow processes in the rapid industrial-scale production of β-SiC, having advantages of time/energy saving and carbon dioxide emission reduction over comparable modern processes. PMID:29470417

ECOLOGICAL AND ECONOMIC DYNAMICS OF THE SHUNDE AGRICULTURAL SYSTEM UNDER CHINA'S SMALL CITY DEVELOPMENT STRATEGY

EPA Science Inventory

The development of small cities has been adopted as the main strategy to make full use of extra labor in the rural areas of China. The ecological and economic consequences of this development will affect over 100 million people and change the organization of agricultural systems ...

The reliability studies of nano-engineered SiGe HBTs using Pelletron accelerator

NASA Astrophysics Data System (ADS)

Prakash, A. P. Gnana; Praveen, K. C.; Pushpa, N.; Cressler, John D.

2015-05-01

The effects of high energy ions on the electrical characteristics of silicon-germanium heterojunction bipolar transistors (SiGe HBTs) were studied in the total dose of ranging from 600 krad to 100 Mrad (Si). The two generations (50 GHz and 200 GHz) of SiGe HBTs were exposed to 50 MeV lithium, 75 MeV boron and 100 MeV oxygen ions. The electrical characteristics of SiGe HBTs were studied before and after irradiation. The SiGe HBTs were exposed to 60Co gamma radiation in the same total dose. The results are systematically compared in order to understand the interaction of ions and ionizing radiation with SiGe HBTs.

Vertical III-V nanowire device integration on Si(100).

PubMed

Borg, Mattias; Schmid, Heinz; Moselund, Kirsten E; Signorello, Giorgio; Gignac, Lynne; Bruley, John; Breslin, Chris; Das Kanungo, Pratyush; Werner, Peter; Riel, Heike

2014-01-01

We report complementary metal-oxide-semiconductor (CMOS)-compatible integration of compound semiconductors on Si substrates. InAs and GaAs nanowires are selectively grown in vertical SiO2 nanotube templates fabricated on Si substrates of varying crystallographic orientations, including nanocrystalline Si. The nanowires investigated are epitaxially grown, single-crystalline, free from threading dislocations, and with an orientation and dimension directly given by the shape of the template. GaAs nanowires exhibit stable photoluminescence at room temperature, with a higher measured intensity when still surrounded by the template. Si-InAs heterojunction nanowire tunnel diodes were fabricated on Si(100) and are electrically characterized. The results indicate a high uniformity and scalability in the fabrication process.

Photonic metasurface made of array of lens-like SiGe Mie resonators formed on (100) Si substrate via dewetting

NASA Astrophysics Data System (ADS)

Poborchii, Vladimir; Shklyaev, Alexander; Bolotov, Leonid; Uchida, Noriyuki; Tada, Tetsuya; Utegulov, Zhandos N.

2017-12-01

Metasurfaces consisting of arrays of high-index Mie resonators concentrating/redirecting light are important for integrated optics, photodetectors, and solar cells. Herein, we report the optical properties of low-Ge-content SiGe lens-like Mie resonator island arrays fabricated via dewetting during Ge deposition on a Si(100) surface at approximately 900 °C. We observe enhancement of the Si interaction with light owing to the efficient island-induced light concentration in the submicron-depth Si layer, which is mediated by both near-field Mie resonance leaking into the substrate and far-field light focusing. Such metasurfaces can improve the Si photodetector and solar-cell performance.

Silicon waveguided components for the long-wave infrared region

NASA Astrophysics Data System (ADS)

Soref, Richard A.; Emelett, Stephen J.; Buchwald, Walter R.

2006-10-01

We propose that the operational wavelength of waveguided Si-based photonic integrated circuits and optoelectronic integrated circuits can be extended beyond the 1.55 µm telecom range into the wide infrared from 1.55 to 100 µm. The Si rib-membrane waveguide offers low-loss transmission from 1.2 to 6 µm and from 24 to 100 µm. This waveguide, which is compatible with Si microelectronics manufacturing, is constructed from silicon-on-insulator by etching away the oxide locally beneath the rib. Alternatively, low-loss waveguiding from 1.9 to 14.7 µm is assured by employing a crystal Ge rib grown directly upon the Si substrate. The Si-based hollow-core waveguide is an excellent device that minimizes loss due to silicon's 6-24 µm multi-phonon absorption. Here the rectangular air-filled core is surrounded by SiGe/Si multi-layer anti-resonant or Bragg claddings. The hollow channel offers less than 1.7 dB cm-1 loss from 1.2 to 100 µm. .

Fluorine atom abstraction by Si(100). I. Experimental

NASA Astrophysics Data System (ADS)

Tate, M. R.; Gosalvez-Blanco, D.; Pullman, D. P.; Tsekouras, A. A.; Li, Y. L.; Yang, J. J.; Laughlin, K. B.; Eckman, S. C.; Bertino, M. F.; Ceyer, S. T.

1999-08-01

In the interaction of low energy F2 with Si(100) at 250 K, a dissociative chemisorption mechanism called atom abstraction is identified in which only one of the F atoms is adsorbed while the other F atom is scattered into the gas phase. The dynamics of atom abstraction are characterized via time-of-flight measurements of the scattered F atoms. The F atoms are translationally hyperthermal but only carry a small fraction (˜3%) of the tremendous exothermicity of the reaction. The angular distribution of F atoms is unusually broad for the product of an exothermic reaction. These results suggest an "attractive" interaction potential between F2 and the Si dangling bond with a transition state that is not constrained geometrically. These results are in disagreement with the results of theoretical investigations implying that the available potential energy surfaces are inadequate to describe the dynamics of this gas-surface interaction. In addition to single atom abstraction, two atom adsorption, a mechanism analogous to classic dissociative chemisorption in which both F atoms are adsorbed onto the surface, is also observed. The absolute probability of the three scattering channels (single atom abstraction, two atom adsorption, and unreactive scattering) for an incident F2 are determined as a function of F2 exposure. The fluorine coverage is determined by integrating the reaction probabilities over F2 exposure, and the reaction probabilities are recast as a function of fluorine coverage. Two atom adsorption is the dominant channel [P2=0.83±0.03(95%, N=9)] in the limit of zero coverage and decays monotonically to zero. Single atom abstraction is the minor channel (P1=0.13±0.03) at low coverage but increases to a maximum (P1=0.35±0.08) at about 0.5 monolayer (ML) coverage before decaying to zero. The reaction ceases at 0.94±0.11(95%, N=9) ML. Thermal desorption and helium diffraction confirm that the dangling bonds are the abstraction and adsorption sites. No Si lattice bonds are broken, in contrast to speculation by other investigators that the reaction exothermicity causes lattice disorder.

Ultrahigh Vacuum Scanning Tunneling Microscopy and Spectroscopy of Single-Walled Carbon Nanotubes Interfaced with Silicon Surfaces

NASA Astrophysics Data System (ADS)

Albrecht, Peter; Lyding, Joseph

2008-03-01

The UHV-STM was used to examine SWNTs directly interfaced with hydrogen-passivated Si(100). Dry contact transfer (DCT) [1] enabled the UHV deposition of SWNTs with minimal disruption of the atomically flat Si(100)-2x1:H surface. Isolated, rather than bundled, SWNTs could be routinely located for atomically resolved imaging, tunneling I-V spectroscopy [2], lateral manipulation [3], and proximal substrate modification. Weakly adsorbed SWNTs initially unstable in the presence of the rastered STM tip could be stabilized by depassivating the underlying H-Si(100) surface via UHV-STM electron-stimulated H desorption [4], which in the case of one chiral semiconducting SWNT also promoted the local alignment of the zigzag symmetry direction on the underside of the tube with the clean Si dimer rows [5]. The growing body of first-principles simulations of the SWNT/Si(100) system [6] was drawn upon in our interpretation of such local perturbations. [1] APL 83, 5029 (2003). [2] Nanotechnology 18, 095204 (2007). [3] Small 3, 146 (2007). [4] Nanotechnology 18, 125302 (2007). [5] Small 3, 1402 (2007). [6] JAP 100, 124304 (2006).

Diagnostic accuracy of dynamic contrast-enhanced MR imaging using a phase-derived vascular input function in the preoperative grading of gliomas.

PubMed

Nguyen, T B; Cron, G O; Mercier, J F; Foottit, C; Torres, C H; Chakraborty, S; Woulfe, J; Jansen, G H; Caudrelier, J M; Sinclair, J; Hogan, M J; Thornhill, R E; Cameron, I G

2012-09-01

The accuracy of tumor plasma volume and K(trans) estimates obtained with DCE MR imaging may have inaccuracies introduced by a poor estimation of the VIF. In this study, we evaluated the diagnostic accuracy of a novel technique by using a phase-derived VIF and "bookend" T1 measurements in the preoperative grading of patients with suspected gliomas. This prospective study included 46 patients with a new pathologically confirmed diagnosis of glioma. Both magnitude and phase images were acquired during DCE MR imaging for estimates of K(trans)_φ and V(p_)φ (calculated from a phase-derived VIF and bookend T1 measurements) as well as K(trans)_SI and V(p_)SI (calculated from a magnitude-derived VIF without T1 measurements). Median K(trans)_φ values were 0.0041 minutes(-1) (95 CI, 0.00062-0.033), 0.031 minutes(-1) (0.011-0.150), and 0.088 minutes(-1) (0.069-0.110) for grade II, III, and IV gliomas, respectively (P ≤ .05 for each). Median V(p_)φ values were 0.64 mL/100 g (0.06-1.40), 0.98 mL/100 g (0.34-2.20), and 2.16 mL/100 g (1.8-3.1) with P = .15 between grade II and III gliomas and P = .015 between grade III and IV gliomas. In differentiating low-grade from high-grade gliomas, AUCs for K(trans)_φ, V(p_φ), K(trans)_SI, and V(p_)SI were 0.87 (0.73-1), 0.84 (0.69-0.98), 0.81 (0.59-1), and 0.84 (0.66-0.91). The differences between the AUCs were not statistically significant. K(trans)_φ and V(p_)φ are parameters that can help in differentiating low-grade from high-grade gliomas.

Amorphization and recrystallization of epitaxial ReSi2 films grown on Si(100)

NASA Technical Reports Server (NTRS)

Kim, Kun HO; Bai, G.; Nicolet, MARC-A.; Mahan, John E.; Geib, Kent M.

1991-01-01

The effects of implantation damage and the chemical species of the implant on structural and electrical properties of epitaxial ReSi2 films on Si(100) implanted with Si-28 or Ar-40 ions, at doses ranging from 10 to the 13th/sq cm to 10 to the 15th/sq cm, were investigated using the backscattering spectrometry, XRD, and the van der Pauw techniques. Results showed that ion implantation produces damage in the film, which increases monotonically with dose; the resistivity of the film decreases monotonically with dose.

Computational mineral physics and the physical properties of perovskite.

PubMed

Brodholt, John P; Oganov, A R; Price, G D

2002-11-15

The inherent uncertainties in modern first-principles calculations are reviewed using geophysically relevant examples. The elastic constants of perovskite at lower-mantle temperatures and pressures are calculated using ab initio molecular dynamics. These are used in conjunction with seismic tomographic models to estimate that the lateral temperature contrasts in the Earth's lower mantle are 800 K at a depth of 1000 km, and 1500 K at a depth of 2000 km. The effect of Al(3+) on the compressibility of MgSiO(3) perovskite is calculated using three different pseudopotentials. The results confirm earlier work and show that the compressibility of perovskites with Al(3+) substituted for both Si(4+) and Mg(2+) is very similar to the compressibility of Al(3+)-free perovskite. Even when 100% of the Si(4+) and Mg(2+) ions are replaced with Al(3+), the bulk modulus is only 7% less than that for Al(3+)-free perovskite. In contrast, perovskites where Al(3+) substitutes for Si(4+) only and that are charge balanced by oxygen vacancies do show higher compressibilities. When corrected to similar concentrations of Al(3+), the calculated compressibilities of the oxygen-vacancy-rich perovskites are in agreement with experimental results.

The dynamics of energy and charge transfer in low and hyperthermal energy ion-solid interactions

NASA Astrophysics Data System (ADS)

Ray, Matthew Preston

The energy and charge transfer dynamics for low and hyperthermal energy (10 eV to 2 keV) alkali and noble gas ions impacting noble metals as a function of incident energy, species and scattering geometry has been studied. The experiments were performed in an ultra-high vacuum scattering chamber attached to a low and hyperthermal energy beamline. The energy transfer was measured for K+ scattered from a Ag(001) surface along the [110] crystalline direction at a fixed laboratory angle of 90°. It was found that as the incident energy is reduced from 100 to 10 eV, the normalized scattered energy increased. Previous measurements have shown a decrease in the normalized energy as the incident ion energy is reduced due to an attractive image force. Trajectory analysis of the data using a classical scattering simulation revealed that instead of undergoing sequential binary collisions as in previous studies, the ion scatters from two surface atoms simultaneously leading to an increased normalized energy. Additionally, charge transfer measurements have been performed for Na + scattering from Ag(001) along the [110] crystalline direction at a fixed laboratory angle of 70°. It was found that over the range of energies used (10 eV to 2 keV), the neutralization probability of the scattered ions varied from ˜30% to ˜70% depending on the incident velocity, consistent with resonant charge transfer. A fully quantum mechanical model that treats electrons independently accurately reproduces the observed data. Measurements of electron-hole pair excitations were used to explore the pathways which a solid uses to dissipate the energy imparted by the incident ion beam. Ultrathin film (10 nm) metal-oxide-semiconductor (Au/SiO2/n-Si) devices were used to detect the electron-hole pairs for cases when the ion deposited all of its translational energy into the solid. The incident ions were incident at an angle normal to the surface of the device to maximize energy deposition and consequently electron-hole pair production. The rectifying metal-oxide-semiconductor device separates the electrons from the holes, allowing a current associated with electron-hole pair production to be measured. In these experiments a number of ion species (He+, Li+ , Ar+, K+) were made incident on multiple devices and the incident energy ranged from 100 eV to 2 keV. It was found that electron-hole pair production increased with incident ion velocity consistent with a kinetic electron excitation model where the electrons in the metal are partially confined to the surface.

A molecular dynamics examination of the relationship between self-diffusion and viscosity in liquid metals.

PubMed

Lü, Yongjun; Cheng, Hao; Chen, Min

2012-06-07

The self-diffusion coefficients D and the viscosities η of elemental Ni, Cu, and Ni-Si alloys have been calculated over a wide temperature range by molecular dynamics simulations. For elemental Ni and Cu, Arrhenius-law variations of D and η with temperature dominate. The temperature dependence of Dη can be approximated by a linear relation, whereas the Stokes-Einstein relation is violated. The calculations of D and η are extended to the regions close to the crystallization of Ni(95)Si(5), Ni(90)Si(10), and the glass transitions of Ni(80)Si(20) and Ni(75)Si(25). The results show that both D and η strongly deviate from the Arrhenius law in the vicinity of phase transitions, exhibiting a power-law divergence. We find a decoupling of diffusion and viscous flow just above the crystallization of Ni(95)Si(5) and Ni(90)Si(10). For the two glass-forming alloys, Ni(80)Si(20) and Ni(75)Si(25), the relation Dη = const is obeyed as the glass transition is approached, indicating a dynamic coupling as predicted by the mode-coupling theory. This coupling is enhanced with increasing Si composition and at 25%, Si spans a wide temperature range through the melting point. The decoupling is found to be related to the distribution of local ordered structure in the melts. The power-law governing the growth of solid-like clusters prior to crystallization creates a dynamic heterogeneity responsible for decoupling.

A molecular dynamics examination of the relationship between self-diffusion and viscosity in liquid metals

NASA Astrophysics Data System (ADS)

Lü, Yongjun; Cheng, Hao; Chen, Min

2012-06-01

The self-diffusion coefficients D and the viscosities η of elemental Ni, Cu, and Ni-Si alloys have been calculated over a wide temperature range by molecular dynamics simulations. For elemental Ni and Cu, Arrhenius-law variations of D and η with temperature dominate. The temperature dependence of Dη can be approximated by a linear relation, whereas the Stokes-Einstein relation is violated. The calculations of D and η are extended to the regions close to the crystallization of Ni95Si5, Ni90Si10, and the glass transitions of Ni80Si20 and Ni75Si25. The results show that both D and η strongly deviate from the Arrhenius law in the vicinity of phase transitions, exhibiting a power-law divergence. We find a decoupling of diffusion and viscous flow just above the crystallization of Ni95Si5 and Ni90Si10. For the two glass-forming alloys, Ni80Si20 and Ni75Si25, the relation Dη = const is obeyed as the glass transition is approached, indicating a dynamic coupling as predicted by the mode-coupling theory. This coupling is enhanced with increasing Si composition and at 25%, Si spans a wide temperature range through the melting point. The decoupling is found to be related to the distribution of local ordered structure in the melts. The power-law governing the growth of solid-like clusters prior to crystallization creates a dynamic heterogeneity responsible for decoupling.

Growth of BaSi2 film on Ge(100) by vacuum evaporation and its photoresponse properties

NASA Astrophysics Data System (ADS)

Trinh, Cham Thi; Nakagawa, Yoshihiko; Hara, Kosuke O.; Kurokawa, Yasuyoshi; Takabe, Ryota; Suemasu, Takashi; Usami, Noritaka

2017-05-01

We have successfully grown a polycrystalline orthorhombic BaSi2 film on a Ge(100) substrate by an evaporation method. Deposition of an amorphous Si (a-Si) film on the Ge substrate prior to BaSi2 evaporation plays a critical role in obtaining a high-quality BaSi2 film. By controlling substrate temperature and the thickness of the a-Si film, a crack-free and single-phase polycrystalline orthorhombic BaSi2 film with a long carrier lifetime of 1.5 µs was obtained on Ge substrates. The photoresponse property of the ITO/BaSi2/Ge/Al structure was clearly observed, and photoresponsivity was found to increase with increasing substrate temperature during deposition of a-Si. Furthermore, the BaSi2 film grown on Ge showed a higher photoresponsivity than that grown on Si, indicating the potential application of evaporated BaSi2 on Ge to thin-film solar cells.

Nickel silicide formation in silicon implanted nickel

NASA Astrophysics Data System (ADS)

Rao, Z.; Williams, J. S.; Pogany, A. P.; Sood, D. K.; Collins, G. A.

1995-04-01

Nickel silicide formation during the annealing of very high dose (≥4.5×1017 ions/cm2) Si implanted Ni has been investigated, using ion beam analytical techniques, electron microscopy, and x-ray diffraction analysis. An initial amorphous Si-Ni alloy, formed as a result of high dose ion implantation, first crystallized to Ni2Si upon annealing in the temperature region of 200-300 °C. This was followed by the formation of Ni5Si2 in the temperature region of 300-400 °C and then by Ni3Si at 400-600 °C. The Ni3Si layer was found to have an epitaxial relationship with the substrate Ni, which was determined as Ni3Si<100>∥Ni<100> and Ni3Si<110>∥Ni<110> for Ni(100) samples. The minimum channeling yield in the 2 MeV He Rutherford backscattering and channeling spectra of this epitaxial layer improved with higher annealing temperatures up to 600 °C, and reached a best value measured at about 8%. However, the epitaxial Ni3Si dissolved after long time annealing at 600 °C or annealing at higher temperatures to liberate soluble Si into the Ni substrate. The epitaxy is attributed to the excellent lattice match between the Ni3Si and the Ni. The annealing behavior follows the predictions of the Ni-Si phase diagram for this nickel-rich binary system.

Deformation Behavior of Al/a-Si Core-shell Nanostructures

NASA Astrophysics Data System (ADS)

Fleming, Robert

Al/a-Si core-shell nanostructures (CSNs), consisting of a hemispherical Al core surrounded by a hard shell of a-Si, have been shown to display unusual mechanical behavior in response to compression loading. Most notably, these nanostructures exhibit substantial deformation recovery, even when loaded much beyond the elastic limit. Nanoindentation measurements revealed a unique mechanical response characterized by discontinuous signatures in the load-displacement data. In conjunction with the indentation signatures, nearly complete deformation recovery is observed. This behavior is attributed to dislocation nucleation and annihilation events enabled by the 3-dimensional confinement of the Al core. As the core confinement is reduced, either through an increase in confined core volume or a change in the geometrical confinement, the indentation signatures and deformation resistance are significantly reduced. Complimentary molecular dynamics simulations show that a substantial amount of dislocation egression occurs in the core of CSNs during unloading as dislocations annihilate at the core/shell interface. Smaller core diameters correlate with the development of a larger back-stress within the core during unloading, which further correlates with improved dislocation annihilation after unloading. Furthermore, dislocations nucleated in the core of core-shell nanorods are not as effectively removed as compared to CSNs. Nanostructure-textured surfaces (NSTSs) composed of Al/a-Si CSNs have improved tribological properties compared surfaces patterned with Al nanodots and a flat (100) Si surface. NSTSs have a coefficient of friction (COF) as low as 0.015, exhibit low adhesion with adhesion forces on the order of less than 1 microN, and are highly deformation resistant, with no apparent surface deformation after nanoscratch testing, even at contact forces up to 8000 microN. In comparison, (100) Si has substantially higher adhesion and COF ( 10 microN and 0.062, respectively), while the Al nanodots have both higher friction (COF 0.044) and are deformed when subjected to contact loads as low as 250 microN. This integrated experimental and computational study elucidates the mechanisms that contribute to the novel properties of Al/a-Si CSNs and characterizes the tribological properties of surface composed of these nanostructures, which provides a foundation for the rational design of novel technologies based on CSNs.

Vertical epitaxial wire-on-wire growth of Ge/Si on Si(100) substrate.

PubMed

Shimizu, Tomohiro; Zhang, Zhang; Shingubara, Shoso; Senz, Stephan; Gösele, Ulrich

2009-04-01

Vertically aligned epitaxial Ge/Si heterostructure nanowire arrays on Si(100) substrates were prepared by a two-step chemical vapor deposition method in anodic aluminum oxide templates. n-Butylgermane vapor was employed as new safer precursor for Ge nanowire growth instead of germane. First a Si nanowire was grown by the vapor liquid solid growth mechanism using Au as catalyst and silane. The second step was the growth of Ge nanowires on top of the Si nanowires. The method presented will allow preparing epitaxially grown vertical heterostructure nanowires consisting of multiple materials on an arbitrary substrate avoiding undesired lateral growth.

Raman and photoluminescence spectroscopy of SiGe layer evolution on Si(100) induced by dewetting

NASA Astrophysics Data System (ADS)

Shklyaev, A. A.; Volodin, V. A.; Stoffel, M.; Rinnert, H.; Vergnat, M.

2018-01-01

High temperature annealing of thick (40-100 nm) Ge layers deposited on Si(100) at ˜400 °C leads to the formation of continuous films prior to their transformation into porous-like films due to dewetting. The evolution of Si-Ge composition, lattice strain, and surface morphology caused by dewetting is analyzed using scanning electron microscopy, Raman, and photoluminescence (PL) spectroscopies. The Raman data reveal that the transformation from the continuous to porous film proceeds through strong Si-Ge interdiffusion, reducing the Ge content from 60% to about 20%, and changing the stress from compressive to tensile. We expect that Ge atoms migrate into the Si substrate occupying interstitial sites and providing thereby the compensation of the lattice mismatch. Annealing generates only one type of radiative recombination centers in SiGe resulting in a PL peak located at about 0.7 and 0.8 eV for continuous and porous film areas, respectively. Since annealing leads to the propagation of threading dislocations through the SiGe/Si interface, we can tentatively associate the observed PL peak to the well-known dislocation-related D1 band.

Grafting cavitands on the Si(100) surface.

PubMed

Condorelli, Guglielmo G; Motta, Alessandro; Favazza, Maria; Fragalà, Ignazio L; Busi, Marco; Menozzi, Edoardo; Dalcanale, Enrico; Cristofolini, Luigi

2006-12-19

Cavitand molecules having double bond terminated alkyl chains and different bridging groups at the upper rim have been grafted on H-terminated Si(100) surface via photochemical hydrosilylation of the double bonds. Pure and mixed monolayers have been obtained from mesitylene solutions of either pure cavitand or cavitand/1-octene mixtures. Angle resolved high-resolution X-ray photoelectron spectroscopy has been used as the main tool for the monolayer characterization. The cavitand decorated surface consists of Si-C bonded layers with the upper rim at the top of the layer. Grafting of pure cavitands leads to not-well-packed layers, which are not able to efficiently passivate the Si(100) surface. By contrast, monolayers obtained from cavitand/1-octene mixtures consist of well-packed layers since they prevent silicon oxidation after aging. AFM measurements showed that these monolayers have a structured topography, with objects protruding from the Si(100) surface with average heights compatible with the expected ones for cavitand molecules.

LPE growth of crack-free PbSe layers on Si(100) using MBE-Grown PbSe/BaF2CaF2 buffer layers

NASA Astrophysics Data System (ADS)

Strecker, B. N.; McCann, P. J.; Fang, X. M.; Hauenstein, R. J.; O'Steen, M.; Johnson, M. B.

1997-05-01

Crack-free PbSe on (100)-oriented Si has been obtained by a combination of liquid phase epitaxy (LPE) and molecular beam epitaxy (MBE) techniques. MBE is employed first to grow a PbSe/BaF2/CaF2 buffer structure on the (100)-oriented Si. A 2.5 μm thick PbSe layer is then grown by LPE. The LPE-grown PbSe displays excellent surface morphology and is continuous over the entire 8×8 mm2 area of growth. This result is surprising because of the large mismatch in thermal expansion coefficients between PbSe and Si. Previous attempts to grow crack-free PbSe by MBE alone using similar buffer structures on (100)-oriented Si have been unsuccessful. It is speculated that the large concentration of Se vacancies in the LPE-grown PbSe layer may allow dislocation climb along higher order slip planes, providing strain relaxation.

Hot Carrier Dynamics in the X Valley in Si and Ge Measured by Pump-IR-Probe Absorption Spectroscopy

NASA Technical Reports Server (NTRS)

Wang, W. B.; Cavicchia, M. A.; Alfano, R. R.

1996-01-01

Si is the semiconductor of choice for nanoelectronic roadmap into the next century for computer and other nanodevices. With growing interest in Si, Ge, and Si(sub m)Ge(sub n) strained superlattices, knowledge of the carrier relaxation processes in these materials and structures has become increasingly important. The limited time resolution for earlier studies of carrier dynamics in Ge and Si, performed using Nd:glass lasers, was not sufficient to observe the fast cooling processes. In this paper, we present a direct measurement of hot carrier dynamics in the satellite X valley in Si and Ge by time-resolved infrared(IR) absorption spectroscopy, and show the potential of our technique to identify whether the X valley is the lowest conduction valley in semiconductor materials and structures.

The effect of an external electric field on the growth of incongruent-melting material

NASA Astrophysics Data System (ADS)

Uda, Satoshi; Huang, Xinming; Wang, Shou-Qi

2005-02-01

The significance of an electric field on the crystallization process is differentiated into two consequences; (i) thermodynamic effect and (ii) growth-dynamic effect. The former modifies the chemical potential of the associated phases which changes the equilibrium phase relationship while the latter influences the solute transport, growth kinetics, surface creation and defect generation during growth. The intrinsic electric field generating during growth is attributed to the crystallization-related electromotive force and the thermoelectric power driven by the temperature gradient at the interface which influences the solute transport and solute partitioning. The external electric field was applied to the growth apparatus in the ternary system of La2O3- Ga2O3- SiO2 so that the chemical potential of both solid and liquid phases changed leading to the variation of the equilibrium phase relationship. Imposing a 500 V/cm electric field on the system moved the boundary of primary phase field of lanthanum gallate ( LaGaO3) and Ga-bearing lanthanum silicate ( La14GaxSi9-xO) toward the SiO2 apex by 5 mol% which clearly demonstrated the change of the phase relationship by the external electric field.

CVD growth and properties of boron phosphide on 3C-SiC

NASA Astrophysics Data System (ADS)

Padavala, Balabalaji; Frye, C. D.; Wang, Xuejing; Raghothamachar, Balaji; Edgar, J. H.

2016-09-01

Improving the crystalline quality of boron phosphide (BP) is essential for realizing its full potential in semiconductor device applications. In this study, 3C-SiC was tested as a substrate for BP epitaxy. BP films were grown on 3C-SiC(100)/Si, 3C-SiC(111)/Si, and 3C-SiC(111)/4H-SiC(0001) substrates in a horizontal chemical vapor deposition (CVD) system. Films were produced with good crystalline orientation and morphological features in the temperature range of 1000-1200 °C using a PH3+B2H6+H2 mixture. Rotational twinning was absent in the BP due to the crystal symmetry-matching with 3C-SiC. Confocal 3D Raman imaging of BP films revealed primarily uniform peak shift and peak widths across the scanned area, except at defects on the surface. Synchrotron white beam X-ray topography showed the epitaxial relationship between BP and 3C-SiC was (100) 〈 011 〉 BP||(100) 〈 011 〉 3C-SiC and (111) 〈 11 2 ̅ 〉 BP||(111) 〈 11 2 ̅ 〉 3C-SiC. Scanning electron microscopy, Raman spectroscopy and X-ray diffraction analysis indicated residual tensile strain in the films and improved crystalline quality at temperatures below 1200 °C. These results indicated that BP properties could be further enhanced by employing high quality bulk 3C-SiC or 3C-SiC epilayers on 4H-SiC substrates.

CVD growth and properties of boron phosphide on 3C-SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Padavala, Balabalaji; Frye, C. D.; Wang, Xuejing

Improving the crystalline quality of boron phosphide (BP) is essential for realizing its full potential in semiconductor device applications. In this study, 3C-SiC was tested as a substrate for BP epitaxy. BP films were grown on 3C-SiC(100)/Si, 3C-SiC(111)/Si, and 3C-SiC(111)/4H-SiC(0001) substrates in a horizontal chemical vapor deposition (CVD) system. Films were produced with good crystalline orientation and morphological features in the temperature range of 1000–1200 °C using a PH3+B2H6+H2 mixture. Rotational twinning was absent in the BP due to the crystal symmetry-matching with 3C-SiC. Confocal 3D Raman imaging of BP films revealed primarily uniform peak shift and peak widths acrossmore » the scanned area, except at defects on the surface. Synchrotron white beam X-ray topography showed the epitaxial relationship between BP and 3C-SiC was (100) <011>BP||(100) <011>3C-SiC and (111)View the MathML sourceBP||(111)View the MathML source3C-SiC. Scanning electron microscopy, Raman spectroscopy and X-ray diffraction analysis indicated residual tensile strain in the films and improved crystalline quality at temperatures below 1200 °C. These results indicated that BP properties could be further enhanced by employing high quality bulk 3C-SiC or 3C-SiC epilayers on 4H-SiC substrates.« less

Cost and effects of different admission screening strategies to control the spread of methicillin-resistant Staphylococcus aureus.

PubMed

Gurieva, Tanya; Bootsma, Martin C J; Bonten, Marc J M

2013-01-01

Nosocomial infection rates due to antibiotic-resistant bacteriae, e.g., methicillin-resistant Staphylococcus aureus (MRSA) remain high in most countries. Screening for MRSA carriage followed by barrier precautions for documented carriers (so-called screen and isolate (S&I)) has been successful in some, but not all settings. Moreover, different strategies have been proposed, but comparative studies determining their relative effects and costs are not available. We, therefore, used a mathematical model to evaluate the effect and costs of different S&I strategies and to identify the critical parameters for this outcome. The dynamic stochastic simulation model consists of 3 hospitals with general wards and intensive care units (ICUs) and incorporates readmission of carriers of MRSA. Patient flow between ICUs and wards was based on real observations. Baseline prevalence of MRSA was set at 20% in ICUs and hospital-wide at 5%; ranges of costs and infection rates were based on published data. Four S&I strategies were compared to a do-nothing scenario: S&I of previously documented carriers ("flagged" patients); S&I of flagged patients and ICU admissions; S&I of flagged and group of "frequent" patients; S&I of all hospital admissions (universal screening). Evaluated levels of efficacy of S&I were 10%, 25%, 50% and 100%. Our model predicts that S&I of flagged and S&I of flagged and ICU patients are the most cost-saving strategies with fastest return of investment. For low isolation efficacy universal screening and S&I of flagged and "frequent" patients may never become cost-saving. Universal screening is predicted to prevent hardly more infections than S&I of flagged and "frequent" patients, albeit at higher costs. Whether an intervention becomes cost-saving within 10 years critically depends on costs per infection in ICU, costs of screening and isolation efficacy.

Cost and Effects of Different Admission Screening Strategies to Control the Spread of Methicillin-resistant Staphylococcus aureus

PubMed Central

Gurieva, Tanya; Bootsma, Martin C. J.; Bonten, Marc J. M.

2013-01-01

Nosocomial infection rates due to antibiotic-resistant bacteriae, e.g., methicillin-resistant Staphylococcus aureus (MRSA) remain high in most countries. Screening for MRSA carriage followed by barrier precautions for documented carriers (so-called screen and isolate (S&I)) has been successful in some, but not all settings. Moreover, different strategies have been proposed, but comparative studies determining their relative effects and costs are not available. We, therefore, used a mathematical model to evaluate the effect and costs of different S&I strategies and to identify the critical parameters for this outcome. The dynamic stochastic simulation model consists of 3 hospitals with general wards and intensive care units (ICUs) and incorporates readmission of carriers of MRSA. Patient flow between ICUs and wards was based on real observations. Baseline prevalence of MRSA was set at 20% in ICUs and hospital-wide at 5%; ranges of costs and infection rates were based on published data. Four S&I strategies were compared to a do-nothing scenario: S&I of previously documented carriers (“flagged” patients); S&I of flagged patients and ICU admissions; S&I of flagged and group of “frequent” patients; S&I of all hospital admissions (universal screening). Evaluated levels of efficacy of S&I were 10%, 25%, 50% and 100%. Our model predicts that S&I of flagged and S&I of flagged and ICU patients are the most cost-saving strategies with fastest return of investment. For low isolation efficacy universal screening and S&I of flagged and “frequent” patients may never become cost-saving. Universal screening is predicted to prevent hardly more infections than S&I of flagged and “frequent” patients, albeit at higher costs. Whether an intervention becomes cost-saving within 10 years critically depends on costs per infection in ICU, costs of screening and isolation efficacy. PMID:23436984

Network structure of SiO2 and MgSiO3 in amorphous and liquid States

NASA Astrophysics Data System (ADS)

Lan, Mai Thi; Thuy Duong, Tran; Viet Huy, Nguyen; Van Hong, Nguyen

2017-03-01

Network structure of SiO2 and MgSiO3 at 300 K and 3200 K is investigated by molecular dynamics simulation and visualization of simulation data. Structural organization of SiO2 and MgSiO3 is clarified via analysis the short range order (SRO) and intermediate range order (IRO). Network topology is determined via analyzing the bond between structural units, the cluster of structural units as well as spatial distribution of structural units. The polyamorphism as well as structural and dynamic heterogeneities are also discussed in this work.

Nanometer-thick gold on silicon as a proxy for single-crystal gold for the electrodeposition of epitaxial cuprous oxide thin films

DOE PAGES

Switzer, Jay A.; Hill, James C.; Mahenderkar, Naveen K.; ...

2016-05-27

Here, single-crystal Au is an excellent substrate for electrochemical epitaxial growth due to its chemical inertness, but the high cost of bulk Au single crystals prohibits their use in practical applications. Here, we show that ultrathin epitaxial films of Au electrodeposited onto Si(111), Si(100), and Si(110) wafers can serve as an inexpensive proxy for bulk single-crystal Au for the deposition of epitaxial films of cuprous oxide (Cu 2O). The Au films range in thickness from 7.7 nm for a film deposited for 5 min to 28.3 nm for a film deposited for 30 min. The film thicknesses are measured bymore » low-angle X-ray reflectivity and X-ray Laue oscillations. High-resolution TEM shows that there is not an interfacial SiO x layer between the Si and Au. The Au films deposited on the Si(111) substrates are smoother and have lower mosaic spread than those deposited onto Si(100) and Si(110). The mosaic spread of the Au(111) layer on Si(111) is only 0.15° for a 28.3 nm thick film. Au films deposited onto degenerate Si(111) exhibit ohmic behavior, whereas Au films deposited onto n-type Si(111) with a resistivity of 1.15 Ω·cm are rectifying with a barrier height of 0.85 eV. The Au and the Cu 2O follow the out-of-plane and in-plane orientations of the Si substrates, as determined by X-ray pole figures. The Au and Cu 2O films deposited on Si(100) and Si(110) are both twinned. The films grown on Si(100) have twins with a [221] orientation, and the films grown on Si(110) have twins with a [411] orientation. An interface model is proposed for all Si orientations, in which the –24.9% mismatch for the Au/Si system is reduced to only +0.13% by a coincident site lattice in which 4 unit meshes of Au coincide with 3 unit meshes of Si. Although this study only considers the deposition of epitaxial Cu 2O films on electrodeposited Au/Si, the thin Au films should serve as high-quality substrates for the deposition of a wide variety of epitaxial materials.« less

Diffusive molecular dynamics simulations of lithiation of silicon nanopillars

NASA Astrophysics Data System (ADS)

Mendez, J. P.; Ponga, M.; Ortiz, M.

2018-06-01

We report diffusive molecular dynamics simulations concerned with the lithiation of Si nano-pillars, i.e., nano-sized Si rods held at both ends by rigid supports. The duration of the lithiation process is of the order of milliseconds, well outside the range of molecular dynamics but readily accessible to diffusive molecular dynamics. The simulations predict an alloy Li15Si4 at the fully lithiated phase, exceedingly large and transient volume increments up to 300% due to the weakening of Sisbnd Si iterations, a crystalline-to-amorphous-to-lithiation phase transition governed by interface kinetics, high misfit strains and residual stresses resulting in surface cracks and severe structural degradation in the form of extensive porosity, among other effects.

Silicon (100)/SiO2 by XPS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jensen, David S.; Kanyal, Supriya S.; Madaan, Nitesh

2013-09-25

Silicon (100) wafers are ubiquitous in microfabrication and, accordingly, their surface characteristics are important. Herein, we report the analysis of Si (100) via X-ray photoelectron spectroscopy (XPS) using monochromatic Al K radiation. Survey scans show that the material is primarily silicon and oxygen, and the Si 2p region shows two peaks that correspond to elemental silicon and silicon dioxide. Using these peaks the thickness of the native oxide (SiO2) was estimated using the equation of Strohmeier.1 The oxygen peak is symmetric. The material shows small amounts of carbon, fluorine, and nitrogen contamination. These silicon wafers are used as the basemore » material for subsequent growth of templated carbon nanotubes.« less

Carbon-doped single-crystalline SiGe/Si thermistor with high temperature coefficient of resistance and low noise level

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radamson, H. H.; Kolahdouz, M.; Shayestehaminzadeh, S.

2010-11-29

SiGe (C)/Si(C) multiquantum wells have been studied as a thermistor material for future bolometers. A thermistor material for uncooled Si-based thermal detectors with thermal coefficient of resistance of 4.5%/K for 100x100 {mu}m{sup 2} pixel sizes and low noise constant (K{sub 1/f}) value of 4.4x10{sup -15} is presented. The outstanding performance of the devices is due to Ni-silicide contacts, smooth interfaces, and high quality multiquantum wells containing high Ge content.

Fusion hindrance for the positive Q -value system 12C+30Si

NASA Astrophysics Data System (ADS)

Montagnoli, G.; Stefanini, A. M.; Jiang, C. L.; Hagino, K.; Galtarossa, F.; Colucci, G.; Bottoni, S.; Broggini, C.; Caciolli, A.; Čolović, P.; Corradi, L.; Courtin, S.; Depalo, R.; Fioretto, E.; Fruet, G.; Gal, A.; Goasduff, A.; Heine, M.; Hu, S. P.; Kaur, M.; Mijatović, T.; Mazzocco, M.; Montanari, D.; Scarlassara, F.; Strano, E.; Szilner, S.; Zhang, G. X.

2018-02-01

Background: The fusion reaction 12C+30Si is a link between heavier cases studied in recent years, and the light heavy-ion systems, e.g., 12C+12C , 16O+16O that have a prominent role in the dynamics of stellar evolution. 12C+30Si fusion itself is not a relevant process for astrophysics, but it is important to establish its behavior below the barrier, where couplings to low-lying collective modes and the hindrance phenomenon may determine the cross sections. The excitation function is presently completely unknown below the barrier for the 12C+30Si reaction, thus no reliable extrapolation into the astrophysical regime for the C+C and O+O cases can be performed. Purpose: Our aim was to carry out a complete measurement of the fusion excitation function of 12C+30Si from well below to above the Coulomb barrier, so as to clear up the consequence of couplings to low-lying states of 30Si, and whether the hindrance effect appears in this relatively light system which has a positive Q value for fusion. This would have consequences for the extrapolated behavior to even lighter systems. Methods: The inverse kinematics was used by sending 30Si beams delivered from the XTU Tandem accelerator of INFN-Laboratori Nazionali di Legnaro onto thin 12C (50 μ g /cm2 ) targets enriched to 99.9 % in mass 12. The fusion evaporation residues (ER) were detected at very forward angles, following beam separation by means of an electrostatic deflector. Angular distributions of ER were measured at Ebeam=45 , 59, and 80 MeV, and they were angle integrated to derive total fusion cross sections. Results: The fusion excitation function of 12C+30Si was measured with high statistical accuracy, covering more than five orders of magnitude down to a lowest cross section ≃3 μ b . The logarithmic slope and the S factor have been extracted and we have convincing phenomenological evidence of the hindrance effect. These results have been compared with the calculations performed within the model that considers a damping of the coupling strength well inside the Coulomb barrier. Conclusions: The experimental data are consistent with the coupled-channels calculations. A better fit is obtained by using the Yukawa-plus-exponential potential and a damping of the coupling strengths inside the barrier. The degree of hindrance is much smaller than the one in heavier systems. Also a phenomenological estimate reproduces quite closely the hindrance threshold for 12C+30Si , so that an extrapolation to the C+C and O+O cases can be reliably performed.

Low-energy mass-selected ion beam production of fragments produced from hexamethyldisilane for SiC film formation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoshimura, Satoru, E-mail: yosimura@ppl.eng.osaka-u.ac.jp; Sugimoto, Satoshi; Kiuchi, Masato

2016-03-14

We have proposed an experimental methodology which makes it possible to deposit silicon carbide (SiC) films on Si substrates with a low-energy mass-selected ion beam system using hexamethyldisilane (HMD) as a gas source. In this study, one of the fragment ions produced from HMD, SiCH{sub 4}{sup +}, was mass-selected. The ion energy was approximately 100 eV. Then, the SiCH{sub 4}{sup +} ions were irradiated to a Si(100) substrate. When the temperature of the Si substrate was set at 800 °C during the ion irradiation, the X-ray diffraction and Raman spectroscopy of the substrate following the completion of ion irradiation experiment demonstrated themore » occurrence of 3C-SiC deposition.« less

Attachment chemistry of aromatic compounds on a Silicon(100) surface

NASA Astrophysics Data System (ADS)

Henriksson, Anders; Nishiori, Daiki; Maeda, Hiroaki; Miyachi, Mariko; Yamanoi, Yoshinori; Nishihara, Hiroshi

2018-03-01

A mild method was developed for the chemical attachment of aromatic compounds directly onto a hydrogen-terminated Si(100) (H-Si(100)) surface. In the presence of palladium catalyst and base, 4-iodophenylferrocene and a π-conjugated iron complex were attached to H-Si(100) electrodes and hydrogen-terminated silicon nanowires (H-SiNWs), both of which have predominant dihydride species on their surfaces. The reactions were conducted in 1,4-dioxane at 100 °C and the immobilization of both 4-ferrocenylphenyl group and π-conjugated molecular wires were confirmed and quantified by XPS and electrochemical measurements. We reported densely packed monolayer whose surface coverage (Γ), estimated from the electrochemical measurements are in analogue to similar monolayers prepared via thermal or light induced hydrosilylation reactions with alkenes or alkynes. The increase in electrochemical response observed on nanostructured silicon surfaces corresponds well to the increase in surface area, those strongly indicating that this method may be applied for the functionalization of electrodes with a variety of surface topographies.

CVD-Based Valence-Mending Passivation for Crystalline-Si Solar Cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tao, Meng

2015-03-01

The objective of this project is to investigate a new surface passivation technique, valence-mending passivation, for its applications in crystalline-Si solar cells to achieve significant efficiency improvement and cost reduction. As the enabling technique, the project includes the development of chemical vapor deposition recipes to passivate textured Si(100) and multicrystalline-Si surfaces by sulfur and the characterization of the passivated Si surfaces, including thermal stability, Schottky barrier height, contact resistance and surface recombination. One important application is to replace the Ag finger electrode in Si cells with Al to reduce cost, by ~$0.1/Wp, and allow terawatt-scale deployment of crystalline-Si solar cells.more » These all-Al Si cells require a low-temperature metallization process for the Al electrode, to be compatible with valence-mending passivation and to prevent Al diffusion into n-type Si. Another application is to explore valence-mending passivation of grain boundaries in multicrystalline Si by diffusing sulfur into grain boundaries, to reduce the efficiency gas between monocrystalline-Si solar cells and multicrystalline-Si cells. The major accomplishments of this project include: 1) Demonstration of chemical vapor deposition processes for valence-mending passivation of both monocrystalline Si(100) and multicrystalline Si surfaces. Record Schottky barriers have been demonstrated, with the new record-low barrier of less than 0.08 eV between Al and sulfur-passivated n-type Si(100) and the new record-high barrier of 1.14 eV between Al and sulfur-passivated p-type Si(100). On the textured p-type monocrystalline Si(100) surface, the highest barrier with Al is 0.85 eV by valence-mending passivation. 2) Demonstration of a low-temperature metallization process for Al in crystalline-Si solar cells. The new metallization process is based on electroplating of Al in a room-temperature ionic liquid. The resistivity of the electroplated Al is ~7×10–6 ohm-cm, similar to that of screen-printed Ag. 3) Demonstration of two all-Al, Ag-free Si solar cells, with an electroplated Al front electrode and a screen-printed Al back electrode. One cell is an industrial p-type front-emitter cell, and the other is an n-type back-emitter cell. The efficiency of the p-type cell is close to 15%. This is an industrial cell and its efficiency is capped at ~18%. 4) Demonstration of grain boundary passivation by both hydrogen and sulfur using hydrogen sulfide (H2S). When the new grain boundary passivation is combined with Al2O3 surface passivation and post-annealing, the minority carrier lifetime in the p-type multicrystalline Si samples shows a significant improvement up to 68 fold. 5) In a side project, a simple green process is developed which is capable of recycling over 90% of the Si material in end-of-life crystalline-Si solar cells. The recycled Si meets the specifications for solar-grade Si and can be used as a new poly-Si feedstock for ingot growth.« less

Electrical properties of a light-addressable microelectrode chip with high electrode density for extracellular stimulation and recording of excitable cells.

PubMed

Bucher, V; Brunner, B; Leibrock, C; Schubert, M; Nisch, W

2001-05-01

A light-addressable microelectrode chip with 3600 TiN electrodes was fabricated. Amorphous silicon (a-Si:H) serves as a photo conductor. The electrodes on the chip are addressed by a laser spot and electrical properties of the system are determined. DC measurements show a dark to bright dynamic of 10(6)-10(7). The AC impedance dynamic @ 1 kHz/100 mV and thus the signal-to-noise-ratio is determined to 60. This value is quite sufficient for electrophysiological measurements. For the first time, recordings from cardiac myocytes are reported using the principle of light-addressing. Measurements were done with a standard laser scan microscope (Zeiss LSM 410).

Novel self-organization mechanism in ultrathin liquid films: theory and experiment.

PubMed

Trice, Justin; Favazza, Christopher; Thomas, Dennis; Garcia, Hernando; Kalyanaraman, Ramki; Sureshkumar, Radhakrishna

2008-07-04

When an ultrathin metal film of thickness h (<20 nm) is melted by a nanosecond pulsed laser, the film temperature is a nonmonotonic function of h and achieves its maximum at a certain thickness h*. This is a consequence of the h and time dependence of energy absorption and heat flow. Linear stability analysis and nonlinear dynamical simulations that incorporate such intrinsic interfacial thermal gradients predict a characteristic pattern length scale Lambda that decreases for h>h*, in contrast to the classical spinodal dewetting behavior where Lambda increases monotonically as h2. These predictions agree well with experimental observations for Co and Fe films on SiO2.

Silicon availability modifies nutrient use efficiency and content, C:N:P stoichiometry, and productivity of winter wheat (Triticum aestivum L.)

NASA Astrophysics Data System (ADS)

Neu, Silke; Schaller, Jörg; Dudel, E. Gert

2017-01-01

Silicon (Si) is known as beneficial element for graminaceous plants. The importance of Si for plant functioning of cereals was recently emphasized. However, about the effect of Si availability on biomass production, grain yield, nutrient status and nutrient use efficiency for wheat (Triticum aestivum L.), as one of the most important crop plants worldwide, less is known so far. Consequently, we assessed the effect of a broad range of supply levels of amorphous SiO2 on wheat plant performance. Our results revealed that Si is readily taken up and accumulated basically in aboveground vegetative organs. Carbon (C) and phosphorus (P) status of plants were altered in response to varying Si supply. In bulk straw biomass C concentration decreased with increasing Si supply, while P concentration increased from slight limitation towards optimal nutrition. Thereby, aboveground biomass production increased at low to medium supply levels of silica whereas grain yield increased at medium supply level only. Nutrient use efficiency was improved by Si insofar that biomass production was enhanced at constant nitrogen (N) status of substrate and plants. Consequently, our findings imply fundamental influences of Si on C turnover, P availability and nitrogen use efficiency for wheat as a major staple crop.

Structural and thermochemical Aspects of (III-V)IV3 Material Assembly from First Principles

NASA Astrophysics Data System (ADS)

Chizmeshya, Andrew; Kouvetakis, John

2014-03-01

Alloys with (III-V)-(IV) compositions, including Si3(AlP), Si5-2y(AlP)y, Si3Al(As1-xNx), Si5-2yAl(P1-xNx)y and Ge5-2y(InP)y and have recently been synthesized as mono-crystalline films on Si substrates, using a synthesis route specifically designed to avoid phase separation between the III-V and IV constituents. Molecular ``building blocks'' containing group-V-centered III-V-IV3 cores, formed via interactions of group-III atoms and reactive silyly/germyl hydride precursors of desired composition (e.g, P(SiH3)3 , P(GeH3)3 , etc), assemble to form stable, covalent, diamond-like materials with the inherent tetrahedral symmetry and composition of the III-V-IV3 units. The resulting systems may provide access to a broad range of new semiconductor systems with extended optoelectronic properties, provided that the required molecular sources are available, the thermodynamic processes are viable, and the resulting alloy composition can be tuned to lattice-match the growth substrate. Molecular/solid-state simulations are used to identify promising synthetic pathways and guide the epitaxial creation of new (III-V)-(IV) materials. The thermodynamics of gas phase synthesis reactions, energetic stability of the alloys, and their epitaxial/chemical compatibility with the substrate are combined to form a global figure of merit. The latter corroborates the synthesis of known systems and predicts that formation of GaPSi3/Si(100), GaAsSi3/SiGe(100), AlPGe3/Ge(100) and InAsSi3/Ge(100) may also be favorable. Supported by NSF-DMR under SusChEM award #1309090.

A Highly Sensitive Porous Silicon (P-Si)-Based Human Kallikrein 2 (hK2) Immunoassay Platform toward Accurate Diagnosis of Prostate Cancer

PubMed Central

Lee, Sang Wook; Hosokawa, Kazuo; Kim, Soyoun; Jeong, Ok Chan; Lilja, Hans; Laurell, Thomas; Maeda, Mizuo

2015-01-01

Levels of total human kallikrein 2 (hK2), a protein involved the pathology of prostate cancer (PCa), could be used as a biomarker to aid in the diagnosis of this disease. In this study, we report on a porous silicon antibody immunoassay platform for the detection of serum levels of total hK2. The surface of porous silicon has a 3-dimensional macro- and nanoporous structure, which offers a large binding capacity for capturing probe molecules. The tailored pore size of the porous silicon also allows efficient immobilization of antibodies by surface adsorption, and does not require chemical immobilization. Monoclonal hK2 capture antibody (6B7) was dispensed onto P-Si chip using a piezoelectric dispenser. In total 13 × 13 arrays (169 spots) were spotted on the chip with its single spot volume of 300 pL. For an optimization of capture antibody condition, we firstly performed an immunoassay of the P-Si microarray under a titration series of hK2 in pure buffer (PBS) at three different antibody densities (75, 100 and 145 µg/mL). The best performance of the microarray platform was seen at 100 µg/mL of the capture antibody concentration (LOD was 100 fg/mL). The platform then was subsequently evaluated for a titration series of serum-spiked hK2 samples. The developed platform utilizes only 15 µL of serum per test and the total assay time is about 3 h, including immobilization of the capture antibody. The detection limit of the hK2 assay was 100 fg/mL in PBS buffer and 1 pg/mL in serum with a dynamic range of 106 (10−4 to 102 ng/mL). PMID:26007739

A Highly Sensitive Porous Silicon (P-Si)-Based Human Kallikrein 2 (hK2) Immunoassay Platform toward Accurate Diagnosis of Prostate Cancer.

PubMed

Lee, Sang Wook; Hosokawa, Kazuo; Kim, Soyoun; Jeong, Ok Chan; Lilja, Hans; Laurell, Thomas; Maeda, Mizuo

2015-05-22

Levels of total human kallikrein 2 (hK2), a protein involved the pathology of prostate cancer (PCa), could be used as a biomarker to aid in the diagnosis of this disease. In this study, we report on a porous silicon antibody immunoassay platform for the detection of serum levels of total hK2. The surface of porous silicon has a 3-dimensional macro- and nanoporous structure, which offers a large binding capacity for capturing probe molecules. The tailored pore size of the porous silicon also allows efficient immobilization of antibodies by surface adsorption, and does not require chemical immobilization. Monoclonal hK2 capture antibody (6B7) was dispensed onto P-Si chip using a piezoelectric dispenser. In total 13 × 13 arrays (169 spots) were spotted on the chip with its single spot volume of 300 pL. For an optimization of capture antibody condition, we firstly performed an immunoassay of the P-Si microarray under a titration series of hK2 in pure buffer (PBS) at three different antibody densities (75, 100 and 145 µg/mL). The best performance of the microarray platform was seen at 100 µg/mL of the capture antibody concentration (LOD was 100 fg/mL). The platform then was subsequently evaluated for a titration series of serum-spiked hK2 samples. The developed platform utilizes only 15 µL of serum per test and the total assay time is about 3 h, including immobilization of the capture antibody. The detection limit of the hK2 assay was 100 fg/mL in PBS buffer and 1 pg/mL in serum with a dynamic range of 106 (10(-4) to 10(2) ng/mL).

Direct current performance and current collapse in AlGaN/GaN insulated gate high-electron mobility transistors on Si (1 1 1) substrate with very thin SiO2 gate dielectric

NASA Astrophysics Data System (ADS)

Lachab, M.; Sultana, M.; Fatima, H.; Adivarahan, V.; Fareed, Q.; Khan, M. A.

2012-12-01

This work reports on the dc performance of AlGaN/GaN metal-oxide-semiconductor high electron mobility transistors (MOSHEMTs) grown on Si (1 1 1) substrate and the study of current dispersion in these devices using various widely adopted methods. The MOSHEMTs were fabricated using a very thin (4.2 nm) SiO2 film as the gate insulator and were subsequently passivated with about 30 nm thick Si3N4 layer. For devices with 2.5 µm long gates and a 4 µm drain-to-source spacing, the maximum saturation drain current density was 822 mA mm-1 at + 4 V gate bias and the peak external transconductance was ˜100 mS mm-1. Furthermore, the oxide layer successfully suppressed the drain and gate leakage currents with the subthreshold current and the gate diode current levels exceeding by more than three orders of magnitude the levels found in their Schottky gate counterparts. Capacitance-voltage and dynamic current-voltage measurements were carried out to assess the oxide quality as well as the devices’ surface properties after passivation. The efficacy of each of these characterization techniques to probe the presence of interface traps and oxide charge in the nitride-based transistors is also discussed.

The Stellar Imager (SI)"Vision Mission"

NASA Technical Reports Server (NTRS)

Carpenter, Ken; Danchi, W.; Leitner, J.; Liu, A.; Lyon, R.; Mazzuca, L.; Moe, R.; Chenette, D.; Karovska, M.; Allen, R.

2004-01-01

The Stellar Imager (SI) is a "Vision" mission in the Sun-Earth Connection (SEC) Roadmap, conceived for the purpose of understanding the effects of stellar magnetic fields, the dynamos that generate them, and the internal structure and dynamics of the stars in which they exist. The ultimate goal is to achieve the best possible forecasting of solar/stellar magnetic activity and its impact on life in the Universe. The science goals of SI require an ultra-high angular resolution, at ultraviolet wavelengths, on the order of 100 micro-arcsec and thus baselines on the order of 0.5 km. These requirements call for a large, multi-spacecraft (less than 20) imaging interferometer, utilizing precision formation flying in a stable environment, such as in a Lissajous orbit around the Sun-Earth L2 point. SI's resolution will make it an invaluable resource for many other areas of astrophysics, including studies of AGN s, supernovae, cataclysmic variables, young stellar objects, QSO's, and stellar black holes. ongoing mission concept and technology development studies for SI. These studies are designed to refine the mission requirements for the science goals, define a Design Reference Mission, perform trade studies of selected major technical and architectural issues, improve the existing technology roadmap, and explore the details of deployment and operations, as well as the possible roles of astronauts and/or robots in construction and servicing of the facility.

State-specific enhancement of Cl+ and Cl- desorption for SiCl4 adsorbed on a Si(100) surface following Cl 2 p and Si 2 p core-level excitations.

PubMed

Chen, J M; Lu, K T

2001-04-02

State-specific desorption for SiCl4 adsorbed on a Si(100) surface at approximately 90 K with variable coverage following the Cl 2p and Si 2p core-level excitations has been investigated using synchrotron radiation. The Cl+ yields show a significant enhancement following the Cl 2p-->8a*1 excitation. The Cl- yields are notably enhanced at the 8a*1 resonance at both Cl 2p and Si 2p edges. The enhancement of the Cl- yield occurs through the formation of highly excited states of the adsorbed molecules. These results provide some new dissociation processes from adsorbates on surfaces via core-level excitation.

Controlling the sol–gel process of nano-crystalline lithium-mica glass-ceramic by its chemical composition and synthesis parameters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tohidifar, M.R., E-mail: tohidifar@znu.ac.ir; Alizadeh, P.; Aghaei, A.R.

2015-01-15

This paper aims to explore the impact of the parameters such as pH of the system, refluxing temperature, water quantity and chemical composition on the sol–gel synthesis of lithium-mica glass-ceramic nano-powder. The synthesis process was accomplished using two chemical composition formula (Li{sub (1+x)}Mg{sub 3}AlSi{sub 3(1+x)}O{sub 10+6.5x}F{sub 2} and LiMg{sub 3}AlSi{sub 3(1+x)}O{sub 10+6x}F{sub 2}). X-ray diffraction, Brunauer–Emmett–Teller surface area measurement and scanning electron microscopy techniques were applied to evaluate a variety of as-synthesized samples. Consequently, a transparent homogeneous sol was obtained under the conditions as pH ≤ 4, synthesis temperature ≤ 50 °C, and mol ratio of water to chemicals ≤more » 2. The prepared nano-powders under such conditions were in the range of 60–100 nm. The results also revealed that the mica glass-ceramics prepared based on the composition Li{sub (1+x)}Mg{sub 3}AlSi{sub 3(1+x)}O{sub 10+6.5x}F{sub 2} possessed finer powders due to their slow hydrolysis process. Moreover, any reduction in the stoichiometric deviation of lithium mica (x) leads to acquiring finer powders. - Highlights: • A transparent homogeneous sol leads to prepare nanopowders in the range of 60–100 nm. • The particles synthesized at lower temperatures possess finer sizes. • The acquired product which is prepared with excessive water offers larger sizes. • Any reduction in stoichiometric deviation leads to acquiring finer powders. • Taking synthesis composition as Li{sub (1+x)}Mg{sub 3}AlSi{sub 3(1+x)}O{sub 10+6.5x}F{sub 2} offers finer powders.« less

Effect of Cooling Rate on the Microstructure and Mechanical Properties of C-Mn-Al-Si-Nb Hot-Rolled TRIP Steels

NASA Astrophysics Data System (ADS)

Fu, B.; Y Lu, M.; Y Yang, W.; Li, L. F.; Y Zhao, Z.

2017-12-01

A novel thermomechanical process to manufacture hot-rolled TRIP steels has been proposed based on dynamic transformation of undercooled austenite (DTUA). The cooling rate between DTUA and isothermal bainitic treatment in the novel process is important. In the present study, effect of this cooling rate on the final microstructures and mechanical properties of a C-Mn-Al-Si-Nb TRIP steel was investigated. The results showed that the volume fractions of acicular ferrite and retained austenite were increased with the increment of cooling rate. As a consequence, higher yield strength and larger total elongation were obtained for the investigated steel with higher cooling rate. In addition, a value of 30.24 GPa% for the product of tensile strength and total elongation was acquired when the cooling rate was 25 K/s. This value has met the standard of the “Third Generation” of advanced high strength sheet steels.

Role of orbital overlap in atomic manipulation

NASA Astrophysics Data System (ADS)

Jarvis, Sam; Sweetman, Adam; Bamidele, Joseph; Kantorovich, Lev; Moriarty, Philip

2012-06-01

We conduct ab initio simulations illustrating that the ability to achieve atomic manipulation using a dynamic force microscope depends on the precise orientation of the dangling bond(s) at the tip apex and their charge density with respect to those of surface atoms. Using the Si(100)-c(4×2) surface as a prototype, we demonstrate that it is possible to select tip apices capable of performing atomic manipulation tasks which are unachievable using another choice of apex. Specific tip apices can be identified via examination of F(z) curves taken at different lateral positions.

Recent advances in characterization of CaCu3Ti4O12 thin films by spectroscopic ellipsometric metrology.

PubMed

Lo Nigro, Raffaella; Malandrino, Graziella; Toro, Roberta G; Losurdo, Maria; Bruno, Giovanni; Fragalà, Ignazio L

2005-10-12

CaCu3Ti4O12 (CCTO) thin films were successfully grown on LaAlO3(100) and Pt/TiO2/SiO2/Si(100) substrates by a novel MOCVD approach. Epitaxial CCTO(001) thin films have been obtained on LaAlO3(100) substrates, while polycrystalline CCTO films have been grown on Pt/TiO2/SiO2/Si(100) substrates. Surface morphology and grain size of the different nanostructured deposited films were examined by AFM, and spectroscopic ellipsometry has been used to investigate the electronic part of the dielectric constant (epsilon2). Looking at the epsilon2 curves, it can be seen that by increasing the film structural order, a greater dielectric response has been obtained. The measured dielectric properties accounted for the ratio between grain volumes and grain boundary areas, which is very different in the different structured films.

Surface Chemistry and Interface Evolution during the Atomic Layer Deposition of High-k Metal Oxides on InAs(100) and GaAs(100) Surfaces

NASA Astrophysics Data System (ADS)

Henegar, Alex J.

Device scaling has been key for creating faster and more powerful electronic devices. Integral circuit components like the metal-oxide semiconductor field-effect transistor (MOSFET) now rely on material deposition techniques, like atomic layer deposition (ALD), that possess atomic-scale thickness precision. At the heart of the archetypal MOSFET is a SiO2/Si interface which can be formed to near perfection. However when the thickness of the SiO 2 layer is shrunk down to a few nanometers several complications arise like unacceptably high leakage current and power consumption. Replacing Si with III-V semiconductors and SiO2 with high-k dielectric materials is appealing but comes with its own set of challenges. While SiO2 is practically defect-free, the native oxides of III-Vs are poor dielectrics. In this dissertation, the surface chemistry and interface evolution during the ALD of high-k metal oxides on Si(100), GaAs(100) and InAs(100) was studied. In particular, the surface chemistry and crystallization of TiO2 films grown on Si(100) was investigated using transmission Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and atomic force microscopy (AFM). Large, stable, and highly reactive anatase TiO2 grains were found to form during a post-deposition heat treatment after the ALD at 100 °C. The remainder of this work was focused on the evolution of the interfacial oxides during the deposition of TiO2 and Al2O3 on InAs(100) and GaAs(100) and during the deposition of Ta2O 5 on InAs(100). In summary the ALD precursor type, deposited film, and substrate had an influence in the evolution of the native oxides. Alkyl amine precursors fared better at removing the native oxides but the deposited films (TiO2 and Ta2O5) were susceptible to significant native oxide diffusion. The alkyl precursor used for the growth of Al 2O3 was relatively ineffective at removing the oxides but was a good diffusion barrier. In all cases the native oxides were more stable on GaAs compared to InAs. This project utilized a new methodology for the detection of arsenic oxide diffusion using transmission FTIR, and expanded the knowledge of the complexities of the high-k/III-V interface.

Do Si/As ratios in growth medium affect arsenic uptake, arsenite efflux and translocation of arsenite in rice (Oryza sativa)?

PubMed

Zhang, Min; Zhao, Quanli; Xue, Peiying; Zhang, Shijie; Li, Bowen; Liu, Wenju

2017-10-01

Silicon (Si) may decrease the uptake and accumulation of arsenic (As) in rice. However, the effects of Si/As ratios in growth medium on arsenic uptake, arsenite efflux to the external medium and translocation of arsenite in rice are currently unclear. Rice seedlings (Oryza sativa L.) were exposed to nutrient solutions with 10 μM arsenite [As(III)] or 10 μM arsenate [As(V)] to explore the influence of different silicic acid concentrations (0, 10, 100, 1000 μM) on arsenic uptake and translocation of arsenite with or without 91 μM phosphate for 24 h. Arsenic speciation was determined in nutrient solutions, roots, and shoots. In the arsenite treatments, different Si/As ratios (1:1, 10:1, 100:1) did not affect As(III) uptake by rice roots, however they did inhibit translocation of As(III) from roots to shoots significantly (P < 0.001) in the absence of P. In the arsenate treatments, a Si/As ratio of 100:1 significantly decreased As(V) uptake and As(III) efflux compared with the control (Si/As at 0:1), accounting for decreases of 27.4% and 15.1% for -P treatment and 47.8% and 61.1% for + P treatment, respectively. As(III) is the predominant species of arsenic in rice roots and shoots. A Si/As ratio of 100:1 reduced As(III) translocation from roots to shoots markedly without phosphate. When phosphate was supplied, As(III) translocation from roots to shoots was significantly inhibited by Si/As ratios of 10:1 and 100:1. The results indicated that in the presence of P, different silicic acid concentrations did not impact arsenite uptake and transport in rice when arsenite was supplied. However, a Si/As ratio of 100:1 inhibited As(V) uptake, as well as As(III) efflux and translocation from roots to shoots when arsenate was supplied. Copyright © 2017 Elsevier Ltd. All rights reserved.

In-situ synchrotron x-ray study of MgB2 formation when doped by SiC

NASA Astrophysics Data System (ADS)

Abrahamsen, A. B.; Grivel, J.-C.; Andersen, N. H.; Herrmann, M.; Häßler, W.; Birajdar, B.; Eibl, O.; Saksl, K.

2008-02-01

We have studied the evolution of the reaction xMg + 2B + ySiC → zMg1-p(B1-qCq)2 + yMg2Si in samples of 1, 2, 5 and 10 wt% SiC doping. We found a coincident formation of MgB2 and Mg2Si, whereas the crystalline part of the SiC nano particles is not reacting at all. Evidence for incorporation of carbon into the MgB2 phase was established from the decrease of the a-axis lattice parameter upon increasing SiC doping. An estimate of the MgB2 lower limit grain size was found to decrease from L100 = 795 Å and L002 = 337 Å at 1 wt% SiC to L100 = 227 Å and L002= 60 Å at 10 wt% SiC. Thus superconductivity might be suppressed at 10 wt% SiC doping due to the grain size approaching the coherence length.

Observation and measurement of negative differential resistance on PtSi Schottky junctions on porous silicon.

PubMed

Banihashemian, Seyedeh Maryam; Hajghassem, Hassan; Erfanian, Alireza; Aliahmadi, Majidreza; Mohtashamifar, Mansor; Mosakazemi, Seyed Mohamadhosein

2010-01-01

Nanosize porous Si is made by two step controlled etching of Si. The first etching step is carried on the Si surface and the second is performed after deposition of 75 Å of platinum on the formed surface. A platinum silicide structure with a size of less than 25 nm is formed on the porous Si surface, as measured with an Atomic Forced Microscope (AFM). Differential resistance curve as a function of voltage in 77 K and 100 K shows a negative differential resistance and indicates the effect of quantum tunneling. In general form, the ratio of maximum to minimum tunneling current (PVR) and the number of peaks in I-V curves reduces by increasing the temperature. However, due to accumulation of carriers behind the potential barrier and superposition of several peaks, it is observed that the PVR increases at 100 K and the maximum PVR at 100 K is 189.6.

Reaction of Si(100) with NH3: Rate-limiting steps and reactivity enhancement via electronic excitation

NASA Astrophysics Data System (ADS)

Bozso, F.; Avouris, Ph.

1986-09-01

We report on the low-temperature reaction of ammonia with Si(100)-(2×1). The dangling bonds in the clean Si surface promote NH3 dissociation even at temperatures as low as 90 K. The N atoms thus produced occupy subsurface sites, while the H atoms bind to surface Si atoms, tie up the dangling bonds, and inactivate the surface. Thermal or electronic-excitation-induced hydrogen desorption restores the dangling bonds and the reactivity of the surface. Silicon nitride film growth is achieved at 90 K by simultaneous exposure of the Si surface to NH3 and an electron beam.

In vitro and in vivo genotoxicity investigations of differently sized amorphous SiO2 nanomaterials.

PubMed

Maser, Elena; Schulz, Markus; Sauer, Ursula G; Wiemann, Martin; Ma-Hock, Lan; Wohlleben, Wendel; Hartwig, Andrea; Landsiedel, Robert

2015-12-01

In vitro and in vivo genotoxic effects of differently sized amorphous SiO2 nanomaterials were investigated. In the alkaline Comet assay (with V79 cells), non-cytotoxic concentrations of 300 and 100-300μg/mL 15nm-SiO2 and 55nm-SiO2, respectively, relevant (at least 2-fold relative to the negative control) DNA damage. In the Alkaline unwinding assay (with V79 cells), only 15nm-SiO2 significantly increased DNA strand breaks (and only at 100μg/mL), whereas neither nanomaterial (up to 300μg/mL) increased Fpg (Formamidopyrimidine DNA glycosylase)-sensitive sites reflecting oxidative DNA base modifications. In the Comet assay using rat precision-cut lung slices, 15nm-SiO2 and 55nm-SiO2 induced significant DNA damage at ≥100μg/mL. In the Alkaline unwinding assay (with A549 cells), 30nm-SiO2 and 55nm-SiO2 (with larger primary particle size (PPS)) induced significant increases in DNA strand breaks at ≥50μg/mL, whereas 9nm-SiO2 and 15nm-SiO2 (with smaller PPS) induced significant DNA damage at higher concentrations. These two amorphous SiO2 also increased Fpg-sensitive sites (significant at 100μg/mL). In vivo, within 3 days after single intratracheal instillation of 360μg, neither 15nm-SiO2 nor 55nm-SiO2 caused genotoxic effects in the rat lung or in the bone marrow. However, pulmonary inflammation was observed in both test groups with findings being more pronounced upon treatment with 15nm-SiO2 than with 55nm-SiO2. Taken together, the study shows that colloidal amorphous SiO2 with different particle sizes may induce genotoxic effects in lung cells in vitro at comparatively high concentrations. However, the same materials elicited no genotoxic effects in the rat lung even though pronounced pulmonary inflammation evolved. This may be explained by the fact that a considerably lower dose reached the target cells in vivo than in vitro. Additionally, the different time points of investigation may provide more time for DNA damage repair after instillation. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

Sulfide and Oxide Heterostructures For the SrTiO3 Thin Film Growth on Si and Their Structural and Interfacial Stabilities

NASA Astrophysics Data System (ADS)

Yoo, Young‑Zo; Song, Jeong‑Hwan; Konishi, Yoshinori; Kawasaki, Masashi; Koinuma, Hideomi; Chikyow, Toyohiro

2006-03-01

Epitaxial SrTiO3 (STO) thin films with high electrical properties were grown on Si using ZnS single- and SrS/MnS hetero-buffer layers. STO films on both ZnS-buffered and SrS/MnS-buffered Si showed two growth orientations, (100) and (110). The temperature dependence of the growth orientation for STO films was different for the ZnS single-buffer layer in comparison with the SrS/MnS heterobuffer layers. (100) growth of STO films on SrS/MnS-buffered Si became dominant at high temperatures about 700 °C, while (100) growth of STO films on ZnS-buffered Si became dominant at a relatively low growth temperature of 550 °C. STO(100) films on ZnS-buffered and SrS/MnS-buffered Si showed lattice and domain matches for epitaxial relationships with [001]ZnS\\parallel[011]STO and SrS[001]\\parallel[011]STO, respectively via 45° in-plane rotation of STO films relative to both ZnS and SrS layers. The ZnS buffer layer contained many stacking faults because of the mismatch between ZnS and Si, however, those defects were terminated at the ZnS/STO interface. In contrast, the MnS buffer was very stable against stacking defect formation. Transmission electron microscopy measurements revealed the presence of a disordered region at the ZnS/Si and MnS/Si interfaces. Auger electron spectroscopy and transmission electron microscopy results showed that a good MnS/Si interface at the initial growth stage degraded to a SiS2-x-rich phase during MnS deposition and again into a SiO2-x-rich phase during STO deposition at the high growth temperature of 700 °C. It was also observed that STO on SrS/MnS-buffered Si showed a markedly high dielectric constant compared with that of STO on ZnS-buffered Si.

Fabrication and characterization of {110}-oriented Pb(Zr,Ti)O3 thin films on Pt/SiO2/Si substrates using PdO//Pd buffer layer

NASA Astrophysics Data System (ADS)

Oshima, Naoya; Uchiyama, Kiyoshi; Ehara, Yoshitaka; Oikawa, Takahiro; Ichinose, Daichi; Tanaka, Hiroki; Sato, Tomoya; Uchida, Hiroshi; Funakubo, Hiroshi

2017-10-01

A strongly {110}-oriented perovskite-type thin film of tetragonal Pb(Zr0.4Ti0.6)O3 (PZT) was successfully obtained on a (100)Si substrate using a {101}PdO//{111}Pd thin film as a buffer layer. The {101}PdO//{111}Pd thin film buffer layer was obtained by oxidizing {111}Pd after depositing {111}Pd on a {111}Pt/TiO x /SiO2/{100}Si substrate. Using this buffer layer, a {110} c -oriented SrRuO3 (SRO) thin film was deposited by sputtering as a bottom electrode of PZT thin films. Subsequently, the {110}-oriented PZT thin film can be deposited on a (110) c SRO thin film by metal-organic chemical deposition (MOCVD) and its properties can be compared with those of PZT thin films with other orientations of {100} and {111}. Among the {100}, {110}, {111}-oriented PZT films, the {100}-oriented one showed the largest remnant polarization, which is in good agreement with those of the PZTs epitaxially grown in the 〈100〉, 〈110〉, and 〈111〉 directions. The other properties, i.e., piezoelectricity and dielectric constants, also showed similar anisotropic tendencies, which is in good agreement with the data reported in the epitaxially grown PZTs.

Growth of Co2FeAl Heusler alloy thin films on Si(100) having very small Gilbert damping by Ion beam sputtering

NASA Astrophysics Data System (ADS)

Husain, Sajid; Akansel, Serkan; Kumar, Ankit; Svedlindh, Peter; Chaudhary, Sujeet

2016-06-01

The influence of growth temperature Ts (300-773 K) on the structural phase ordering, static and dynamic magnetization behaviour has been investigated in ion beam sputtered full Heusler alloy Co2FeAl (CFA) thin films on industrially important Si(100) substrate. The B2 type magnetic ordering is established in these films based on the clear observation of the (200) diffraction peak. These ion beam sputtered CFA films possess very small surface roughness of the order of subatomic dimensions (<3 Å) as determined from the fitting of XRR spectra and also by AFM imaging. This is supported by the occurrence of distinct Kiessig fringes spanning over the whole scanning range (~4°) in the x-ray reflectivity (XRR) spectra. The Gilbert damping constant α and effective magnetization 4πMeff are found to vary from 0.0053 ± 0.0002 to 0.0015 ± 0.0001 and 13.45 ± 00.03 kG to 14.03 ± 0.04 kG, respectively. These Co2FeAl films possess saturation magnetization ranging from 4.82 ± 0.09 to 5.22 ± 0.10 μB/f.u. consistent with the bulk L21-type ordering. A record low α-value of 0.0015 is obtained for Co2FeAl films deposited on Si substrate at Ts ~ 573 K.

Growth of Co2FeAl Heusler alloy thin films on Si(100) having very small Gilbert damping by Ion beam sputtering.

PubMed

Husain, Sajid; Akansel, Serkan; Kumar, Ankit; Svedlindh, Peter; Chaudhary, Sujeet

2016-06-30

The influence of growth temperature Ts (300-773 K) on the structural phase ordering, static and dynamic magnetization behaviour has been investigated in ion beam sputtered full Heusler alloy Co2FeAl (CFA) thin films on industrially important Si(100) substrate. The B2 type magnetic ordering is established in these films based on the clear observation of the (200) diffraction peak. These ion beam sputtered CFA films possess very small surface roughness of the order of subatomic dimensions (<3 Å) as determined from the fitting of XRR spectra and also by AFM imaging. This is supported by the occurrence of distinct Kiessig fringes spanning over the whole scanning range (~4°) in the x-ray reflectivity (XRR) spectra. The Gilbert damping constant α and effective magnetization 4πMeff are found to vary from 0.0053 ± 0.0002 to 0.0015 ± 0.0001 and 13.45 ± 00.03 kG to 14.03 ± 0.04 kG, respectively. These Co2FeAl films possess saturation magnetization ranging from 4.82 ± 0.09 to 5.22 ± 0.10 μB/f.u. consistent with the bulk L21-type ordering. A record low α-value of 0.0015 is obtained for Co2FeAl films deposited on Si substrate at Ts ~ 573 K.

Silicon-Mediated Alleviation of Aluminum Toxicity by Modulation of Al/Si Uptake and Antioxidant Performance in Ryegrass Plants.

PubMed

Pontigo, Sofía; Godoy, Karina; Jiménez, Héctor; Gutiérrez-Moraga, Ana; Mora, María de la Luz; Cartes, Paula

2017-01-01

Silicon (Si) has been well documented to alleviate aluminum (Al) toxicity in vascular plants. However, the mechanisms underlying these responses remain poorly understood. Here, we assessed the effect of Si on the modulation of Si/Al uptake and the antioxidant performance of ryegrass plants hydroponically cultivated with Al (0 and 0.2 mM) in combination with Si (0, 0.5, and 2.0 mM). Exposure to Al significantly increased Al concentration, mainly in the roots, with a consequent reduction in root growth. However, Si applied to the culture media steadily diminished the Al concentration in ryegrass, which was accompanied by an enhancement in root dry matter production. A reduced concentration of Si in plant tissues was also observed when plants were simultaneously supplied with Al and Si. Interestingly, Si transporter genes ( Lsi1 and Lsi2 ) were down-regulated in roots after Si or Al was applied alone; however, both Lsi1 and Lsi2 were up-regulated as a consequence of Si application to Al-treated plants, denoting that there is an increase in Si requirement in order to cope with Al stress in ryegrass. Whereas Al addition triggered lipid peroxidation, Si contributed to an attenuation of Al-induced oxidative stress by increasing phenols concentration and modulating the activities of superoxide dismutase (SOD), catalase, peroxidase, and ascorbate peroxidase antioxidant enzymes. Differential changes in gene expression of SOD isoforms ( Mn-SOD, Cu/Zn-SOD , and Fe-SOD ) and the profile of peroxide (H 2 O 2 ) generation were also induced by Si in Al-stressed plants. This, to the best of our knowledge, is the first study to present biochemical and molecular evidence supporting the effect of Si on the alleviation of Al toxicity in ryegrass plants.

Mechanism of atomic layer deposition of SiO2 on the silicon (100)-2×1 surface using SiCl4 and H2O as precursors

NASA Astrophysics Data System (ADS)

Kang, Jeung Ku; Musgrave, Charles B.

2002-03-01

We use density functional theory to investigate atomic layer deposition (ALD) mechanism of silicon dioxide on the Si(100)-2×1 surface from the precursors SiCl4 and H2O. First, we explore the reaction mechanism of water with the bare Si(100)-2×1 surface to produce surface hydroxyl groups. We find that this reaction proceeds through a two-step pathway with an overall barrier of 33.3 kcal/mol. Next, we investigate the ALD mechanism for the binary reaction sequence: the SiCl4 half reaction and the H2O half reaction. For the SiCl4 half reaction, SiCl4 first forms a σ-bond with the oxygen of the surface OH group and then releases an HCl molecule. The predicted barrier for this process is 15.8 kcal/mol. Next, adsorbed SiCl3 reacts with a neighboring OH group to form bridged SiCl2 with a barrier of 22.6 kcal/mol. The H2O half reaction also proceeds through two sequential steps with an overall barrier of 19.1 kcal/mol for the reaction of H2O with bridged SiCl2 to form bridged Si(OH)2. The predicted barrier of 22.6 kcal/mol for the rate-limiting step of the ALD binary reaction mechanism is consistent with the experimental value of 22.0 kcal/mol. In addition, we find that the calculated frequencies are in good agreement with the experimentally measured IR spectra.

Evaporation kinetics of Mg2SiO4 crystals and melts from molecular dynamics simulations

NASA Technical Reports Server (NTRS)

Kubicki, J. D.; Stolper, E. M.

1993-01-01

Computer simulations based on the molecular dynamics (MD) technique were used to study the mechanisms and kinetics of free evaporation from crystalline and molten forsterite (i.e., Mg2SiO4) on an atomic level. The interatomic potential employed for these simulations reproduces the energetics of bonding in forsterite and in gas-phase MgO and SiO2 reasonably accurately. Results of the simulation include predicted evaporation rates, diffusion rates, and reaction mechanisms for Mg2SiO4(s or l) yields 2Mg(g) + 20(g) + SiO2(g).

Geometric structure of thin SiO xN y films on Si(100)

NASA Astrophysics Data System (ADS)

Behrens, K.-M.; Klinkenberg, E.-D.; Finster, J.; Meiwes-Broer, K.-H.

1998-05-01

Thin films of amorphous stoichometric SiO xN y are deposited on radiation-heated Si(100) by rapid thermal low-pressure chemical vapour deposition. We studied the whole range of possible compositions. In order to determine the geometric structure, we used EXAFS and photoelectron spectroscopy. Tetrahedrons constitute the short-range units with a central Si atom connected to N and O. The distribution of the possible tetrahedrons can be described by a mixture of the Random Bonding Model and the Random Mixture Model. For low oxygen contents x/( x+ y)≤0.3, the geometric structure of the film is almost the structure of a-Si 3N 4, with the oxygen preferably on top of Si-N 3 triangles. Higher oxygen contents induce changes in the bond lengths, bond angles and coordination numbers.

40 CFR Table 1 to Subpart Jjjj of... - NOX, CO, and VOC Emission Standards for Stationary Non-Emergency SI Engines ≥100 HP (Except...

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 6 2010-07-01 2010-07-01 false NOX, CO, and VOC Emission Standards for Stationary Non-Emergency SI Engines â¥100 HP (Except Gasoline and Rich Burn LPG), Stationary SI Landfill... Landfill/Digester Gas Engines, and Stationary Emergency Engines >25 HP Engine type and fuel Maximum engine...

Large-scale synthesis of ear-like Si{sub 3}N{sub 4} dendrites from SiO{sub 2}/Fe composites and Si powders

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang Feng; Graduate School of the Chinese Academy of Sciences, Beijing 100039; Jin Guoqiang

2008-07-01

Large-scale ear-like Si{sub 3}N{sub 4} dendrites were prepared by the reaction of SiO{sub 2}/Fe composites and Si powders in N{sub 2} atmosphere. The product was characterized by field emission scanning electron microscopy, X-ray diffraction, and transmission electron microscopy. The results reveal that the product mainly consists of ear-like Si{sub 3}N{sub 4} dendrites with crystal structures, which have a length of several microns and a diameter of 100-200 nm. Nanosized ladder-like Si{sub 3}N{sub 4} was also obtained when changing the Fe content in the SiO{sub 2}/Fe composites. The Si{sub 3}N{sub 4} nanoladders have a length of hundreds nanometers to several micronsmore » and a width of 100-300 nm. The ear-like Si{sub 3}N{sub 4} dendrites are formed from a two-step growth process, the formation of inner stem structures followed by the epitaxial growth of secondary branches.« less

Experimental study on the coalescence process of SiO2 supported colloidal Au nanoparticles

NASA Astrophysics Data System (ADS)

Ruffino, F.; Torrisi, V.; Grimaldi, M. G.

2015-11-01

We report on an experimental study of the coalescence-driven grow process of colloidal Au nanoparticles on SiO2 surface. Nanoparticles with 30, 50, 80, 100 nm nominal diameters on a SiO2 substrate were deposited, from solutions, by the drop-casting method. Then, annealing processes, in the 573-1173 K temperature range and 900-3600 s time range, were performed. Using scanning electron microscopy analyses, the temporal evolution of the nanoparticles sizes has been studied. In particular, for all classes of nanoparticles, the experimental-obtained diameters distributions evidenced double-peak shapes (i. e. bimodal distributions): a first peak centered (and unchanged changing the annealing temperature and/or time) at the nominal diameter of the as-deposited nanoparticles, , and a second peak shifting at higher mean diameters, , increasing the annealing temperature and/or time. This observation suggested us a coalescence-driven growth process of a nanoparticles sub-population. As a consequence, the temporal evolution of (for each class of nanoparticles and each annealing temperature), within the well-established particles coalescence theoretical framework, has been analyzed. In particular, by the analyses of the experimental data using relations as prescribed by the theoretical model, a characteristic size-dependent activation energy for the Au nanoparticles coalescence process has been evaluated.

A three dimensional dynamic study of electrostatic charging in materials

NASA Technical Reports Server (NTRS)

Katz, I.; Parks, D. E.; Mandell, M. J.; Harvey, J. M.; Brownell, D. H., Jr.; Wang, S. S.; Rotenberg, M.

1977-01-01

A description is given of the physical models employed in the NASCAP (NASA Charging Analyzer Program) code, and several test cases are presented. NASCAP dynamically simulates the charging of an object made of conducting segments which may be entirely or partially covered with thin dielectric films. The object may be subject to either ground test or space user-specified environments. The simulation alternately treats (1) the tendency of materials to accumulate and emit charge when subject to plasma environment, and (2) the consequent response of the charged particle environment to an object's electrostatic field. Parameterized formulations of the emission properties of materials subject to bombardment by electrons, protons, and sunlight are presented. Values of the parameters are suggested for clean aluminum, Al2O3, clean magnesium, MgO, SiO2 kapton, and teflon. A discussion of conductivity in thin dielectrics subject to radiation and high fields is given, together with a sample calculation.

Computer simulation of CaSiO3 glass under compression: correlation between Si-Si pair radial distribution function and intermediate range order structure

NASA Astrophysics Data System (ADS)

Lan, Mai Thi; Thuy Duong, Tran; Iitaka, Toshiaki; Van Hong, Nguyen

2017-06-01

The structural organization of CaSiO3 glass at 600 K and under pressure of 0-100 GPa is investigated by molecular dynamics simulation (MDS). Results show that the atomic structure of CaSiO3 comprises SiO n and CaO m units considered as basic structural polyhedra. At low pressure, most of the basic structural polyhedra are SiO4, CaO5, CaO6 and CaO7. At high pressure most of the basic structural polyhedra are SiO5, SiO6 and CaO9, CaO10 and CaO11. The distribution of basic structural polyhedra is not uniform resulting in formation of Ca-rich and Si-rich regions. The distribution of SiO4, SiO5 and SiO6 polyhedra is also not uniform, but it tends to form SiO4-, SiO5-, and SiO6-clusters. For the Si-O network, under compression there is a gradual transition from the tetrahedral network (SiO4) to the octahedral network (SiO6) via SiO5 polyhedra. The SiO5-clusters are the same as immediate-phase in the transformation process. The size and shape of SiO4 tetrahedra change strongly under compression. While the size of SiO5 and SiO6 has also changed significantly, but the shape is almost unchanged under compression. The SiO n polyhedra can connect to each other via one common oxygen ion (corner-sharing bond), two common oxygen ions (edge-sharing bond) or three common oxygen ions (face-sharing bond). The Si-Si bond length in corner-sharing bonds is much longer than the ones in edge-sharing and face-sharing bonds. The change of intermediate range order (IRO) structure under compression relating to edge- and face-sharing bonds amongst SiO n at high pressure is the origin of the first peak splitting of the radial distribution functions of Si-Si pair. Under compression, the number of non-bridging oxygen (NBO) decreases. This makes the Si-O network more polymerized. At low pressure, most of the Ca2+ ions incorporate into the Si-O network via NBOs. At high pressure, the amount of NBO decreases, Ca2+ ions mainly incorporate into the Si-O network via bridging oxygen (BO) that belongs to SiO5 and SiO6 with a negative charge. And this is the principle for immobilization of heavy metal as well as fissile materials in hazardous waste (nuclear waste).

Elastic and inelastic properties of SiC/Si biomorphic composites and biomorphic SiC based on oak and eucalyptus

NASA Astrophysics Data System (ADS)

Kardashev, B. K.; Nefagin, A. S.; Smirnov, B. I.; de Arellano-Lopez, A. R.; Martinez-Fernandez, J.; Sepulveda, R.

2006-09-01

This paper reports on the results of a comparative investigation into the elastic and microplastic properties of biomorphic SiC/Si composites and biomorphic SiC prepared by pyrolysis of oak and eucalyptus with subsequent infiltration of molten silicon into a carbon matrix and additional chemical treatment to remove excess silicon. The acoustic studies were performed by the composite oscillator technique using resonant longitudinal vibrations at frequencies of about 100 kHz. It is shown that, in biomorphic SiC (as in biomorphic SiC/Si) at small-amplitude strains ɛ, adsorption and desorption of the environmental (air) molecules determine to a considerable extent the Young’s modulus E and the internal friction (decrement of acoustic vibrations δ) and that the changes in E and δ at these amplitudes are irreversible. The stress-microplastic strain curves are constructed from the acoustic data for the materials under study at temperatures of 100 and 290 K.

Osteoblast responses to different oxide coatings produced by the sol-gel process on titanium substrates.

PubMed

Ochsenbein, Anne; Chai, Feng; Winter, Stefan; Traisnel, Michel; Breme, Jürgen; Hildebrand, Hartmut F

2008-09-01

In order to improve the osseointegration of endosseous implants made from titanium, the structure and composition of the surface were modified. Mirror-polished commercially pure (cp) titanium substrates were coated by the sol-gel process with different oxides: TiO(2), SiO(2), Nb(2)O(5) and SiO(2)-TiO(2). The coatings were physically and biologically characterized. Infrared spectroscopy confirmed the absence of organic residues. Ellipsometry determined the thickness of layers to be approximately 100nm. High resolution scanning electron microscopy (SEM) and atomice force microscopy revealed a nanoporous structure in the TiO(2) and Nb(2)O(5) layers, whereas the SiO(2) and SiO(2)-TiO(2) layers appeared almost smooth. The R(a) values, as determined by white-light interferometry, ranged from 20 to 50nm. The surface energy determined by the sessile-drop contact angle method revealed the highest polar component for SiO(2) (30.7mJm(-2)) and the lowest for cp-Ti and 316L stainless steel (6.7mJm(-2)). Cytocompatibility of the oxide layers was investigated with MC3T3-E1 osteoblasts in vitro (proliferation, vitality, morphology and cytochemical/immunolabelling of actin and vinculin). Higher cell proliferation rates were found in SiO(2)-TiO(2) and TiO(2), and lower in Nb(2)O(5) and SiO(2); whereas the vitality rates increased for cp-Ti and Nb(2)O(5). Cytochemical assays showed that all substrates induced a normal cytoskeleton and well-developed focal adhesion contacts. SEM revealed good cell attachment for all coating layers. In conclusion, the sol-gel-derived oxide layers were thin, pure and nanostructured; consequent different osteoblast responses to those coatings are explained by the mutual action and coadjustment of different interrelated surface parameters.

Vision-based system identification technique for building structures using a motion capture system

NASA Astrophysics Data System (ADS)

Oh, Byung Kwan; Hwang, Jin Woo; Kim, Yousok; Cho, Tongjun; Park, Hyo Seon

2015-11-01

This paper presents a new vision-based system identification (SI) technique for building structures by using a motion capture system (MCS). The MCS with outstanding capabilities for dynamic response measurements can provide gage-free measurements of vibrations through the convenient installation of multiple markers. In this technique, from the dynamic displacement responses measured by MCS, the dynamic characteristics (natural frequency, mode shape, and damping ratio) of building structures are extracted after the processes of converting the displacement from MCS to acceleration and conducting SI by frequency domain decomposition. A free vibration experiment on a three-story shear frame was conducted to validate the proposed technique. The SI results from the conventional accelerometer-based method were compared with those from the proposed technique and showed good agreement, which confirms the validity and applicability of the proposed vision-based SI technique for building structures. Furthermore, SI directly employing MCS measured displacements to FDD was performed and showed identical results to those of conventional SI method.

Microstructure of RERTR DU-alloys irradiated with krypton ions up to 100 dpa

NASA Astrophysics Data System (ADS)

Gan, J.; Keiser, D. D., Jr.; Miller, B. D.; Wachs, D. M.; Allen, T. R.; Kirk, M.; Rest, J.

2011-04-01

The radiation stability of the interaction product formed at the fuel-matrix interface of research reactor dispersion fuels, under fission-product bombardment, has a strong impact on fuel performance. Three depleted uranium alloys were cast that consisted of the following five phases to be investigated: U(Si, Al) 3, (U, Mo)(Si, Al) 3, UMo 2Al 20, U 6Mo 4Al 43, and UAl 4. Irradiation of transmission electron microscopy (TEM) disc samples with 500-keV Kr ions at 200 °C to doses up to ˜100 displacements per atom (dpa) were conducted using a 300-keV electron microscope equipped with an ion accelerator. TEM results show that the U(Si, Al) 3 and UAl 4 phases remain crystalline at 100 dpa without forming voids. The (U, Mo)(Si, Al) 3 and UMo 2Al 20 phases become amorphous at 1 and ˜2 dpa, respectively, and show no evidence of voids at 100 dpa. The U 6Mo 4Al 43 phase goes to amorphous at less than 1 dpa and reveals high density voids at 100 dpa.

Preparation of a surface-grafted imprinted ceramic membrane for selective separation of molybdate anion from water solutions.

PubMed

Zeng, Jianxian; Dong, Zhihui; Zhang, Zhe; Liu, Yuan

2017-07-05

A surface-grafted imprinted ceramic membrane (IIP-PVI/CM) for recognizing molybdate (Mo(VI)) anion was prepared by surface-initiated graft-polymerization. Firstly, raw alumina ceramic membrane (CM) was deposited with SiO 2 active layer by situ hydrolysis deposition method. Subsequently, γ-methacryloxy propyl trimethoxyl silane (MPS) was used as a coupling agent to introduce double bonds onto the SiO 2 layer (MPS-CM). Then, 1-vinylimidazole (VI) was employed as a functional monomer to graft-polymerization onto the MPS-CM (PVI-CM). During the graft-polymerization, the influence factors of grafting degree of PVI were investigated in detail. Under optimum conditions (monomer concentration 20wt%, temperature 70°C, initiator amount 1.1wt% and reaction time 8h), the grafting degree of 20.39g/100g was obtained. Further, Mo(VI) anion was used as a template to imprint in the PVI-CM by employing 1,6-dibromohexane as a cross-linking agent, and then Mo(VI) was removed, obtaining the IIP-PVI/CM with many imprinted cavities for Mo(VI). Thereafter, static adsorption and dynamic separation properties of IIP-PVI/CM for Mo(VI) were studied. Results indicate that IIP-PVI/CM shows a specific selectivity for Mo(VI) with the adsorption capacity of 0.69mmol/100g, and the selectivity coefficient of IIP-PVI/CM is 7.48 for molybdate to tungstate anions. During the dynamic separation, IIP-PVI/CM has also good selectivity for separation of Mo(VI) and W(VI) anions. Copyright © 2017 Elsevier B.V. All rights reserved.

Determination of the amount of gas adsorption on SiO2/Si(100) surfaces to realize precise mass measurement

NASA Astrophysics Data System (ADS)

Mizushima, S.

2004-06-01

The adsorption isotherms on SiO2/Si(100) surfaces were measured using a vacuum mass comparator. Samples with a surface area difference of 816.6 cm2 were used for the measurement, and a substitution weighing method was adopted to reduce the uncertainty due to the drift and non-linearity of the indication of the mass comparator. We measured adsorption isotherms of water vapour on the SiO2/Si(100) surfaces outgassed at a temperature of 500 °C and found that dissociative adsorption caused an irreversible increase of 0.028 µg cm-2 with an uncertainty of 0.004 µg cm-2 (k = 1). We also found that the physical adsorption of water molecules on hydroxylated surfaces had a monolayer capacity of 0.004 µg cm-2 with an uncertainty of 0.002 µg cm-2 (k = 1). In addition, the adsorption isotherms for ethanol vapour and n-octane vapour, which were different from water vapour in adsorption properties, were measured and analysed.

Immobilization of functional oxide nanoparticles on silicon surfaces via Si-C bonded polymer brushes.

PubMed

Xu, F J; Wuang, S C; Zong, B Y; Kang, E T; Neoh, K G

2006-05-01

A method for immobilizing and mediating the spatial distribution of functional oxide (such as SiO2 and Fe3O4) nanoparticles (NPs) on (100)-oriented single crystal silicon surface, via Si-C bonded poly(3-(trimethoxysilyl)propyl methacrylate) (P(TMSPM)) brushes from surface-initiated atom transfer radical polymerization (ATRP) of (3-(trimethoxysilyl)propyl methacrylate) (TMSPM), was described. The ATRP initiator was covalently immobilized via UV-induced hydrosilylation of 4-vinylbenzyl chloride (VBC) with the hydrogen-terminated Si(100) surface (Si-H surface). The surface-immobilized Fe3O4 NPs retained their superparamagnetic characteristics and their magnetization intensity could be mediated by adjusting the thickness of the P(TMSPM) brushes.

Sustainable Interfaces between Si Anodes and Garnet Electrolytes for Room-Temperature Solid-State Batteries.

PubMed

Chen, Cheng; Li, Quan; Li, Yiqiu; Cui, Zhonghui; Guo, Xiangxin; Li, Hong

2018-01-17

Solid-state batteries (SSBs) have seen a resurgence of research interests in recent years for their potential to offer high energy density and excellent safety far beyond current commercialized lithium-ion batteries. The compatibility of Si anodes and Ta-doped Li 7 La 3 Zr 2 O 12 (Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 , LLZTO) solid electrolytes and the stability of the Si anode have been investigated. It is found that Si layer anodes thinner than 180 nm can maintain good contact with the LLZTO plate electrolytes, leading the Li/LLZTO/Si cells to exhibit excellent cycling performance with a capacity retention over 85% after 100 cycles. As the Si layer thickness is increased to larger than 300 nm, the capacity retention of Li/LLZTO/Si cells becomes 77% after 100 cycles. When the thickness is close to 900 nm, the cells can cycle only for a limited number of times because of the destructive volume change at the interfaces. Because of the sustainable Si/LLZTO interfaces with the Si layer anodes with a thickness of 180 nm, full cells with the LiFePO 4 cathodes show discharge capacities of 120 mA h g -1 for LiFePO 4 and 2200 mA h g -1 for the Si anodes at room temperature. They cycle 100 times with a capacity retention of 72%. These results indicate that the combination between the Si anodes and the garnet electrolytes is a promising strategy for constructing high-performance SSBs.

Soft x-ray spectroscopy of high pressure liquid.

PubMed

Qiao, Ruimin; Xia, Yujian; Feng, Xuefei; Macdougall, James; Pepper, John; Armitage, Kevin; Borsos, Jason; Knauss, Kevin G; Lee, Namhey; Allézy, Arnaud; Gilbert, Benjamin; MacDowell, Alastair A; Liu, Yi-Sheng; Glans, Per-Anders; Sun, Xuhui; Chao, Weilun; Guo, Jinghua

2018-01-01

We describe a new experimental technique that allows for soft x-ray spectroscopy studies (∼100-1000 eV) of high pressure liquid (∼100 bars). We achieve this through a liquid cell with a 100 nm-thick Si 3 N 4 membrane window, which is sandwiched by two identical O-rings for vacuum sealing. The thin Si 3 N 4 membrane allows soft x-rays to penetrate, while separating the high-pressure liquid under investigation from the vacuum required for soft x-ray transmission and detection. The burst pressure of the Si 3 N 4 membrane increases with decreasing size and more specifically is inversely proportional to the side length of the square window. It also increases proportionally with the membrane thickness. Pressures > 60 bars could be achieved for 100 nm-thick square Si 3 N 4 windows that are smaller than 65 μm. However, above a certain pressure, the failure of the Si wafer becomes the limiting factor. The failure pressure of the Si wafer is sensitive to the wafer thickness. Moreover, the deformation of the Si 3 N 4 membrane is quantified using vertical scanning interferometry. As an example of the performance of the high-pressure liquid cell optimized for total-fluorescence detected soft x-ray absorption spectroscopy (sXAS), the sXAS spectra at the Ca L edge (∼350 eV) of a CaCl 2 aqueous solution are collected under different pressures up to 41 bars.

Soft x-ray spectroscopy of high pressure liquid

DOE PAGES

Qiao, Ruimin; Xia, Yujian; Feng, Xuefei; ...

2018-01-01

Here, we describe a new experimental technique that allows for soft x-ray spectroscopy studies (~100-1000 eV) of high pressure liquid (~100 bars). We achieve this through a liquid cell with a 100 nm-thick Si 3N 4 membrane window, which is sandwiched by two identical O-rings for vacuum sealing. The thin Si 3N 4 membrane allows soft x-rays to penetrate, while separating the high-pressure liquid under investigation from the vacuum required for soft x-ray transmission and detection. The burst pressure of the Si 3N 4 membrane increases with decreasing size and more specifically is inversely proportional to the side length ofmore » the square window. It also increases proportionally with the membrane thickness. Pressures > 60 bars could be achieved for 100 nm-thick square Si 3N 4 windows that are smaller than 65 μm. However, above a certain pressure, the failure of the Si wafer becomes the limiting factor. The failure pressure of the Si wafer is sensitive to the wafer thickness. Moreover, the deformation of the Si 3N 4 membrane is quantified using vertical scanning interferometry. As an example of the performance of the high-pressure liquid cell optimized for total-fluorescence detected soft x-ray absorption spectroscopy (sXAS), the sXAS spectra at the Ca L edge (~350 eV) of a CaCl 2 aqueous solution are collected under different pressures up to 41 bars.« less

Soft x-ray spectroscopy of high pressure liquid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qiao, Ruimin; Xia, Yujian; Feng, Xuefei

Here, we describe a new experimental technique that allows for soft x-ray spectroscopy studies (~100-1000 eV) of high pressure liquid (~100 bars). We achieve this through a liquid cell with a 100 nm-thick Si 3N 4 membrane window, which is sandwiched by two identical O-rings for vacuum sealing. The thin Si 3N 4 membrane allows soft x-rays to penetrate, while separating the high-pressure liquid under investigation from the vacuum required for soft x-ray transmission and detection. The burst pressure of the Si 3N 4 membrane increases with decreasing size and more specifically is inversely proportional to the side length ofmore » the square window. It also increases proportionally with the membrane thickness. Pressures > 60 bars could be achieved for 100 nm-thick square Si 3N 4 windows that are smaller than 65 μm. However, above a certain pressure, the failure of the Si wafer becomes the limiting factor. The failure pressure of the Si wafer is sensitive to the wafer thickness. Moreover, the deformation of the Si 3N 4 membrane is quantified using vertical scanning interferometry. As an example of the performance of the high-pressure liquid cell optimized for total-fluorescence detected soft x-ray absorption spectroscopy (sXAS), the sXAS spectra at the Ca L edge (~350 eV) of a CaCl 2 aqueous solution are collected under different pressures up to 41 bars.« less

Deformation-Induced Dynamic Precipitation and Resulting Microstructure in a Mg-Zn-Ca Alloy

NASA Astrophysics Data System (ADS)

Du, Yuzhou; Zheng, Mingyi; Jiang, Bailing; Zhou, Kesong

2018-05-01

The microstructure of an Mg-Zn-Ca extrusion was investigated by transmission electron microscopy, and the interaction between dynamic precipitation and dynamic recrystallization was analyzed. The results showed that dynamic precipitation significantly affected the microstructure of the as-extruded Mg-Zn-Ca alloy. The pinning effects of precipitates on dislocations effectively prohibited dynamic recrystallization processes, while the grain boundary precipitate Ca2Mg6Zn3, inhibited the growth of dynamically recrystallized grains. Consequently, a bimodal microstructure with fine dynamically recrystallized (DRXed) grains and elongated deformed regions was obtained for the Mg-Zn-Ca extrusion. High-resolution transmission electron microscopy indicated that the intragranular precipitate MgZn2 had a crystal orientation relationship with α-Mg in the form of (0002)Mg//(10-13)MgZn2 and [1-100]Mg//[1-210]MgZn2, which was beneficial for strength improvement.

Injected ion energy dependence of SiC film deposited by low-energy SiC3H9+ ion beam produced from hexamethyldisilane

NASA Astrophysics Data System (ADS)

Yoshimura, Satoru; Sugimoto, Satoshi; Takeuchi, Takae; Murai, Kensuke; Kiuchi, Masato

2018-04-01

We mass-selected SiC3H9+ ions from various fragments produced through the decomposition of hexamethyldisilane, and finally produced low-energy SiC3H9+ ion beams. The ion beams were injected into Si(1 0 0) substrates and the dependence of deposited films on injected ion energy was then investigated. Injected ion energies were 20, 100, or 200 eV. Films obtained were investigated with X-ray diffraction, X-ray photoelectron spectroscopy, and Raman spectroscopy. X-ray diffraction and X-ray photoelectron spectroscopy of the substrates obtained following the injection of 20 eV ions demonstrated the occurrence of silicon carbide film (3C-SiC) deposition. On the other hand, Raman spectroscopy showed that the films deposited by the injection of 100 or 200 eV ions included 3C-SiC plus diamond-like carbon. Ion beam deposition using hexamethyldisilane-derived 20 eV SiC3H9+ ions is an efficient technique for 3C-SiC film formation on Si substrates.

ZrO2 film interfaces with Si and SiO2

NASA Astrophysics Data System (ADS)

Lopez, C. M.; Suvorova, N. A.; Irene, E. A.; Suvorova, A. A.; Saunders, M.

2005-08-01

The interface formed by the thermal oxidation of sputter-deposited Zr metal onto Si(100)- and SiO2-coated Si(100) wafers was studied in situ and in real time using spectroscopic ellipsometry (SE) in the 1.5-4.5 photon energy range and mass spectrometry of recoiled ions (MSRI). SE yielded optical properties for the film and interface and MSRI yielded film and interface composition. An optical model was developed and verified using transmission electron microscopy. Interfacial reaction of the ZrO2 was observed for both substrates, with more interaction for Si substrates. Equivalent oxide thicknesses and interface trap levels were determined on capacitors with lower trap levels found on samples with a thicker SiO2 underlayer. In addition to the optical properties for the intermixed interface layer, the optical properties for Zr metal and unreacted ZrO2 are also reported.

A New Route to Nondestructive Top-Contacts for Molecular Electronics on Si: Pb Evaporated on Organic Monolayers.

PubMed

Lovrinčić, Robert; Kraynis, Olga; Har-Lavan, Rotem; Haj-Yahya, Abd-Elrazek; Li, Wenjie; Vilan, Ayelet; Cahen, David

2013-02-07

Thermally evaporated Pb preserves the electronic properties of an organic monolayer (ML) on Si and surface passivation of the Si surface itself. The obtained current-voltage characteristics of Pb/ML/Si junctions agree with results obtained with the well-established Hg contact and preserve both the molecule-induced dipole effect on, and length-attenuation of, the current. We rationalize our findings by the lack of interaction between the Pb and the Si substrate. This method is fast, scalable, and compatible with standard semiconductor processing, results in close to 100% yield, and can help the development of large-scale utilization of silicon-organic hybrid electronics. Our experimental data show a dependence of the transport across the molecules on the substrate orientation, expressed in the smaller distance decay parameter with Si(100) than that with Si(111).

Nano-SiC region formation in (100) Si-on-insulator substrate: Optimization of hot-C+-ion implantation process to improve photoluminescence intensity

NASA Astrophysics Data System (ADS)

Mizuno, Tomohisa; Omata, Yuhsuke; Kanazawa, Rikito; Iguchi, Yusuke; Nakada, Shinji; Aoki, Takashi; Sasaki, Tomokazu

2018-04-01

We experimentally studied the optimization of the hot-C+-ion implantation process for forming nano-SiC (silicon carbide) regions in a (100) Si-on-insulator substrate at various hot-C+-ion implantation temperatures and C+ ion doses to improve photoluminescence (PL) intensity for future Si-based photonic devices. We successfully optimized the process by hot-C+-ion implantation at a temperature of about 700 °C and a C+ ion dose of approximately 4 × 1016 cm-2 to realize a high intensity of PL emitted from an approximately 1.5-nm-thick C atom segregation layer near the surface-oxide/Si interface. Moreover, atom probe tomography showed that implanted C atoms cluster in the Si layer and near the oxide/Si interface; thus, the C content locally condenses even in the C atom segregation layer, which leads to SiC formation. Corrector-spherical aberration transmission electron microscopy also showed that both 4H-SiC and 3C-SiC nanoareas near both the surface-oxide/Si and buried-oxide/Si interfaces partially grow into the oxide layer, and the observed PL photons are mainly emitted from the surface SiC nano areas.

Are the Formation and Abundances of Metal-poor Stars the Result of Dust Dynamics?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hopkins, Philip F.; Conroy, Charlie, E-mail: phopkins@caltech.edu

Large dust grains can fluctuate dramatically in their local density, relative to the gas, in neutral turbulent disks. Small, high-redshift galaxies (before reionization) represent ideal environments for this process. We show via simple arguments and simulations that order-of-magnitude fluctuations are expected in local abundances of large grains (>100 Å) under these conditions. This can have important consequences for star formation and stellar metal abundances in extremely metal-poor stars. Low-mass stars can form in dust-enhanced regions almost immediately after some dust forms even if the galaxy-average metallicity is too low for fragmentation to occur. We argue that the metal abundances ofmore » these “promoted” stars may contain interesting signatures as the CNO abundances (concentrated in large carbonaceous grains and ices) and Mg and Si (in large silicate grains) can be enhanced and/or fluctuate almost independently. Remarkably, the otherwise puzzling abundance patterns of some metal-poor stars can be well fit by standard IMF-averaged core-collapse SNe yields if we allow for fluctuating local dust-to-gas ratios. We also show that the observed log-normal distribution of enhancements in pure SNe yields, shows very large enhancements and variations up to factors of ≳100 as expected in the dust-promoted model, preferentially in the [C/Fe]-enhanced metal-poor stars. Together, this suggests that (1) dust exists in second-generation star formation, (2) local dust-to-gas ratio fluctuations occur in protogalaxies and can be important for star formation, and (3) the light element abundances of these stars may be affected by the local chemistry of dust where they formed, rather than directly tracing nucleosynthesis from earlier populations.« less

Growth and Comparison of Residual Stress of AlN Films on Silicon (100), (110) and (111) Substrates

NASA Astrophysics Data System (ADS)

Pandey, Akhilesh; Dutta, Shankar; Prakash, Ravi; Raman, R.; Kapoor, Ashok Kumar; Kaur, Davinder

2018-02-01

This paper reports on the comparison of residual stresses in AlN thin films sputter-deposited in identical conditions on Si (100) (110) and (111) substrates. The deposited films are of polycrystalline wurtzite structure with preferred orientation along the (002) direction. AlN film on the Si (111) substrate showed a vertical columnar structure, whereas films on Si (100) and (110) showed tilted columnar structures. Residual stress in the AlN films is estimated by x-ray diffraction (XRD), infra-red absorption method and wafer curvature technique. Films residual stress are found compressive and values are in the range of - 650 (± 50) MPa, - 730 (± 50) MPa and - 300 (± 50) MPa for the AlN films grown on Si (100), (110) and (111) substrates, respectively, with different techniques. The difference in residual stresses can be attributed to the microstructure of the films and mismatch between in plane atomic arrangements of the film and substrates.

570 mV photovoltage, stabilized n-Si/CoO x heterojunction photoanodes fabricated using atomic layer deposition

DOE PAGES

Zhou, Xinghao; Liu, Rui; Sun, Ke; ...

2016-01-08

Heterojunction photoanodes, consisting of n-type crystalline Si(100) substrates coated with a thin ~50 nm film of cobalt oxide fabricated using atomic-layer deposition (ALD), exhibited photocurrent-onset potentials of -205 ± 20 mV relative to the formal potential for the oxygen-evolution reaction (OER), ideal regenerative solar-to-O 2(g) conversion efficiencies of 1.42 ± 0.20%, and operated continuously for over 100 days (~2500 h) in 1.0 M KOH(aq) under simulated solar illumination. The ALD CoO x thin film: (i) formed a heterojunction with the n-Si(100) that provided a photovoltage of 575 mV under 1 Sun of simulated solar illumination; (ii) stabilized Si photoanodes thatmore » are otherwise unstable when operated in aqueous alkaline electrolytes; and, (iii) catalyzed the oxidation of water, thereby reducing the kinetic overpotential required for the reaction and increasing the overall efficiency relative to electrodes that do not have an inherently electrocatalytic coating. The process provides a simple, effective method for enabling the use of planar n-Si(100) substrates as efficient and durable photoanodes in fully integrated, photovoltaic-biased solar fuels generators.« less

Evolution of size distribution, optical properties, and structure of Si nanoparticles obtained by laser-assisted fragmentation

NASA Astrophysics Data System (ADS)

Plautz, G. L.; Graff, I. L.; Schreiner, W. H.; Bezerra, A. G.

2017-05-01

We investigate the physical properties of Si-based nanoparticles produced by an environment-friendly three-step method relying on: (1) laser ablation of a solid target immersed in water, (2) centrifugation and separation, and (3) laser-assisted fragmentation. The evolution of size distribution is followed after each step by means of dynamic light scattering (DLS) measurements and crosschecked by transmission electron microscopy (TEM). The as-ablated colloidal suspension of Si nanoparticles presents a large size distribution, ranging from a few to hundreds of nanometers. Centrifugation drives the very large particles to the bottom eliminating them from the remaining suspension. Subsequent irradiation of height-separated suspensions with a second high-fluence (40 mJ/pulse) Nd:YAG laser operating at the fourth harmonic (λ =266 nm) leads to size reduction and ultra-small nanoparticles are obtainable depending on the starting size. Si nanoparticles as small as 1.5 nm with low dispersion (± 0.7 nm) are observed for the uppermost part after irradiation. These nanoparticles present a strong blue photoluminescence that remains stable for at least 8 weeks. Optical absorption (UV-Vis) measurements demonstrate an optical gap widening as a consequence of size decrease. Raman spectra present features related to pure silicon and silicon oxides for the irradiated sample. Interestingly, a defect band associated with silicon oxide is also identified, indicating the possible formation of defect states, which, in turn, supports the idea that the blue photoluminescence has its origin in defects.

Dynamic studies of nano-confined polymer thin films

NASA Astrophysics Data System (ADS)

Geng, Kun

Polymer thin films with the film thickness (h0 ) below 100 nm often exhibit physical properties different from the bulk counterparts. In order to make the best use of polymer thin films in applications, it is important to understand the physical origins of these deviations. In this dissertation, I will investigate how different factors influence dynamic properties of polymer thin films upon nano-confinement, including glass transition temperature (Tg), effective viscosity (etaeff) and self-diffusion coefficient (D ). The first part of this dissertation concerns the impacts of the molecular weight (MW) and tacticity on the Tg's of nano-confined polymer films. Previous experiments showed that the Tg of polymer films could be depressed or increased as h0 decreases. While these observations are usually attributed to the effects of the interfaces, some experiments suggested that MW's and tacticities might also play a role. To understand the effects of these factors, the Tg's of silica-based poly(alpha-methyl styrene) (PalphaMS/SiOx) and poly(methyl methacrylate) (PMMA/SiOx) thin films were studied, and the results suggested that MW's and tacticities influence Tg in nontrivial ways. The second part concerns an effort to resolve the long-standing controversy about the correlation between different dynamics of polymer thin films upon nano-confinement. Firstly, I discuss the experimental results of Tg, D and etaeff of poly(isobutyl methacrylate) films supported by silica (PiBMA/SiOx). Both T g and D were found to be independent of h 0, but etaeff decreased with decreasing h 0. Since both D and etaeff describe transport phenomena known to depend on the local friction coefficient or equivalently the local viscosity, it is questionable why D and etaeff displayed seemingly inconsistent h 0 dependencies. We envisage the different h0 dependencies to be caused by Tg, D and etaeff being different functions of the local T g's (Tg,i) or viscosities (eta i). By assuming a three-layer model, we were able to account for the experimental data and resolve the inconsistency. By extending the same ideas to the analogous data of silica-based polystyrene films (PS/SiOx), we found a resolution to the inconsistency regarding the effects of nano-confinement on the dynamics of polymer thin films.

Surface Morphology Transformation Under High-Temperature Annealing of Ge Layers Deposited on Si(100).

PubMed

Shklyaev, A A; Latyshev, A V

2016-12-01

We study the surface morphology and chemical composition of SiGe layers after their formation under high-temperature annealing at 800-1100 °C of 30-150 nm Ge layers deposited on Si(100) at 400-500 °C. It is found that the annealing leads to the appearance of the SiGe layers of two types, i.e., porous and continuous. The continuous layers have a smoothened surface morphology and a high concentration of threading dislocations. The porous and continuous layers can coexist. Their formation conditions and the ratio between their areas on the surface depend on the thickness of deposited Ge layers, as well as on the temperature and the annealing time. The data obtained suggest that the porous SiGe layers are formed due to melting of the strained Ge layers and their solidification in the conditions of SiGe dewetting on Si. The porous and dislocation-rich SiGe layers may have properties interesting for applications.

Electronic states and band lineups in c-Si(100)/a-Si1-xCx:H heterojunctions

NASA Astrophysics Data System (ADS)

Brown, T. M.; Bittencourt, C.; Sebastiani, M.; Evangelisti, F.

1997-04-01

Heterostructures formed by depositing in situ amorphous hydrogenated silicon-carbon alloys on Si(100) substrates were characterized by photoelectric-yield spectroscopy, UPS, and XPS. It is shown that both substrate and overlayer valence-band tops can be identified on the photoelectric-yield spectrum, thus allowing a direct and precise determination of the band lineup. We find a valence-band discontinuity varying from 0.44 eV to 1.00 eV for carbon content ranging from 0 to 50%. The present data can be used as a test for the lineup theories and strongly support the interface dipole models.

Fluoroethylene Carbonate as a Directing Agent in Amorphous Silicon Anodes: Electrolyte Interface Structure Probed by Sum Frequency Vibrational Spectroscopy and Ab Initio Molecular Dynamics.

PubMed

Horowitz, Yonatan; Han, Hui-Ling; Soto, Fernando A; Ralston, Walter T; Balbuena, Perla B; Somorjai, Gabor A

2018-02-14

Fluorinated compounds are added to carbonate-based electrolyte solutions in an effort to create a stable solid electrolyte interphase (SEI). The SEI mitigates detrimental electrolyte redox reactions taking place on the anode's surface upon applying a potential in order to charge (discharge) the lithium (Li) ion battery. The need for a stable SEI is dire when the anode material is silicon as silicon cracks due to its expansion and contraction upon lithiation and delithiation (charge-discharge) cycles, consequently limiting the cyclability of a silicon-based battery. Here we show the molecular structures for ethylene carbonate (EC): fluoroethylene carbonate (FEC) solutions on silicon surfaces by sum frequency generation (SFG) vibrational spectroscopy, which yields vibrational spectra of molecules at interfaces and by ab initio molecular dynamics (AIMD) simulations at open circuit potential. Our AIMD simulations and SFG spectra indicate that both EC and FEC adsorb to the amorphous silicon (a-Si) through their carbonyl group (C═O) oxygen atom with no further desorption. We show that FEC additives induce the reorientation of EC molecules to create an ordered, up-right orientation of the electrolytes on the Si surface. We suggest that this might be helpful for Li diffusion under applied potential. Furthermore, FEC becomes the dominant species at the a-Si surface as the FEC concentration increases above 20 wt %. Our finding at open circuit potential can now initiate additive design to not only act as a sacrificial compound but also to produce a better suited SEI for the use of silicon anodes in the Li-ion vehicular industry.

Exploiting Conjugated Polyelectrolyte Photophysics toward Monitoring Real-Time Lipid Membrane-Surface Interaction Dynamics at the Single-Particle Level.

PubMed

Calver, Christina F; Liu, Hsiao-Wei; Cosa, Gonzalo

2015-11-03

Herein we report the real-time observation of the interaction dynamics between cationic liposomes flowing in solution and a surface-immobilized charged scaffolding formed by the deposition of conjugated polyanion poly[5-methoxy-2-(3-sulfopropoxy)-1,4-phenylenevinylene (MPS-PPV) onto 100-nm-diameter SiO2 nanoparticles (NPs). Contact of the freely floating liposomes with the polymer-coated surfaces led to the formation of supported lipid bilayers (SLBs). The interaction of the incoming liposomes with MPS-PPV adsorbed on individual SiO2 nanoparticles promoted the deaggregation of the polymer conformation and led to large emission intensity enhancements. Single-particle total internal reflection fluorescence microscopy studies exploited this phenomenon as a way to monitor the deformation dynamics of liposomes on surface-immobilized NPs. The MPS-PPV emission enhancement (up to 25-fold) reflected on the extent of membrane contact with the surface of the NP and was correlated with the size of the incoming liposome. The time required for the MPS-PPV emission to reach a maximum (ranging from 400 to 1000 ms) revealed the dynamics of membrane deformation and was also correlated with the liposome size. Cryo-TEM experiments complemented these results by yielding a structural view of the process. Immediately following the mixing of liposomes and NPs the majority of NPs had one or more adsorbed liposomes, yet the presence of a fully formed SLB was rare. Prolonged incubation of liposomes and NPs showed completely formed SLBs on all of the NPs, confirming that the liposomes eventually ruptured to form SLBs. We foresee that the single-particle studies we report herein may be readily extended to study membrane dynamics of other lipids including cellular membranes in live cell studies and to monitor the formation of polymer-cushioned SLBs.

Development of buffer layer structure for epitaxial growth of (100)/(001)Pb(Zr,Ti)O3-based thin film on (111)Si wafer

NASA Astrophysics Data System (ADS)

Hayasaka, Takeshi; Yoshida, Shinya; Tanaka, Shuji

2017-07-01

This paper reports on the development of a novel buffer layer structure, (100)SrRuO3/(100)LaNiO3/(111)Pt/(111)CeO2, for the epitaxial growth of a (100)/(001)-oriented Pb(Zr,Ti)O3 (PZT)-based thin film on a (111)Si wafer. (111)Pt and (111)CeO2 were epitaxially grown on (111)Si straightforwardly. Then, the crystal orientation was forcibly changed from (111) to (100) at the LaNiO3 layer owing to its strong (100)-self-orientation property, which enabled the cube-on-cube epitaxial growth of the subsequent (100)SrRuO3 layer and preferentially (100)/(001)-oriented PZT-based thin film. The PZT-based epitaxial thin films were comprehensively characterized in terms of the crystallinity, in-plane epitaxial relationships, piezoelectricity, and so forth. This buffer layer structure for the epitaxial growth of PZT can be applied to piezoelectric micro-electro-mechanical systems (MEMS) vibrating ring gyroscopes.

Depth profiling of hydrogen passivation of boron in Si(100)

NASA Astrophysics Data System (ADS)

Huang, L. J.; Lau, W. M.; Simpson, P. J.; Schultz, P. J.

1992-08-01

The properties of SiO2/p-Si were studied using variable-energy positron-annihilation spectroscopy and Raman spectroscopy. The oxide film was formed by ozone oxidation in the presence of ultraviolet radiation at room temperature. Both the positron-annihilation and Raman analyses show that chemical cleaning of boron-doped p-type Si(100) using concentrated hydrofluoric acid prior to the oxide formation leads to hydrogen incorporation in the semiconductor. The incorporated hydrogen passivates the boron dopant by forming a B-H complex, the presence of which increases the broadening of the line shape in the positron-annihilation analysis, and narrows the linewidth of the Raman peak. Annealing of the SiO2/Si sample at a moderate temperature of 220 °C in vacuum was found sufficient to dissociate the complex and reactivate the boron dopant.

Tailored synthesis of monodispersed nano/submicron porous silicon oxycarbide (SiOC) spheres with improved Li-storage performance as an anode material for Li-ion batteries

NASA Astrophysics Data System (ADS)

Shi, Huimin; Yuan, Anbao; Xu, Jiaqiang

2017-10-01

A spherical silicon oxycarbide (SiOC) material (monodispersed nano/submicron porous SiOC spheres) is successfully synthesized via a specially designed synthetic strategy involving pyrolysis of phenyltriethoxysilane derived pre-ceramic polymer spheres at 900 °C. In order to prevent sintering of the pre-ceramic polymer spheres upon heating, a given amount of hollow porous SiO2 nanobelts which are separately prepared from tetraethyl orthosilicate with CuO nanobelts as templates are introduced into the pre-ceramic polymer spheres before pyrolysis. This material is investigated as an anode for lithium-ion batteries in comparison with the large-size bulk SiOC material synthesized under the similar conditions but without hollow SiO2 nanobelts. The maximum reversible specific capacity of ca. 900 mAh g-1 is delivered at the current density of 100 mA g-1 and ca. 98% of the initial capacity is remained after 100 cycles at 100 mA g-1 for the SiOC spheres material, which are much superior to the bulk SiOC material. The improved lithium storage performance in terms of specific capacity and cyclability is attributed to its particular morphology of monodisperse nano/submicron porous spheres as well as its modified composition and microstructure. This SiOC material has higher Li-storage activity and better stability against volume expansion during repeated lithiation and delithiation cycling.

A signaling visualization toolkit to support rational design of combination therapies and biomarker discovery: SiViT.

PubMed

Bown, James L; Shovman, Mark; Robertson, Paul; Boiko, Andrei; Goltsov, Alexey; Mullen, Peter; Harrison, David J

2017-05-02

Targeted cancer therapy aims to disrupt aberrant cellular signalling pathways. Biomarkers are surrogates of pathway state, but there is limited success in translating candidate biomarkers to clinical practice due to the intrinsic complexity of pathway networks. Systems biology approaches afford better understanding of complex, dynamical interactions in signalling pathways targeted by anticancer drugs. However, adoption of dynamical modelling by clinicians and biologists is impeded by model inaccessibility. Drawing on computer games technology, we present a novel visualization toolkit, SiViT, that converts systems biology models of cancer cell signalling into interactive simulations that can be used without specialist computational expertise. SiViT allows clinicians and biologists to directly introduce for example loss of function mutations and specific inhibitors. SiViT animates the effects of these introductions on pathway dynamics, suggesting further experiments and assessing candidate biomarker effectiveness. In a systems biology model of Her2 signalling we experimentally validated predictions using SiViT, revealing the dynamics of biomarkers of drug resistance and highlighting the role of pathway crosstalk. No model is ever complete: the iteration of real data and simulation facilitates continued evolution of more accurate, useful models. SiViT will make accessible libraries of models to support preclinical research, combinatorial strategy design and biomarker discovery.

Role of SiNx Barrier Layer on the Performances of Polyimide Ga2O3-doped ZnO p-i-n Hydrogenated Amorphous Silicon Thin Film Solar Cells

PubMed Central

Wang, Fang-Hsing; Kuo, Hsin-Hui; Yang, Cheng-Fu; Liu, Min-Chu

2014-01-01

In this study, silicon nitride (SiNx) thin films were deposited on polyimide (PI) substrates as barrier layers by a plasma enhanced chemical vapor deposition (PECVD) system. The gallium-doped zinc oxide (GZO) thin films were deposited on PI and SiNx/PI substrates at room temperature (RT), 100 and 200 °C by radio frequency (RF) magnetron sputtering. The thicknesses of the GZO and SiNx thin films were controlled at around 160 ± 12 nm and 150 ± 10 nm, respectively. The optimal deposition parameters for the SiNx thin films were a working pressure of 800 × 10−3 Torr, a deposition power of 20 W, a deposition temperature of 200 °C, and gas flowing rates of SiH4 = 20 sccm and NH3 = 210 sccm, respectively. For the GZO/PI and GZO-SiNx/PI structures we had found that the GZO thin films deposited at 100 and 200 °C had higher crystallinity, higher electron mobility, larger carrier concentration, smaller resistivity, and higher optical transmittance ratio. For that, the GZO thin films deposited at 100 and 200 °C on PI and SiNx/PI substrates with thickness of ~000 nm were used to fabricate p-i-n hydrogenated amorphous silicon (α-Si) thin film solar cells. 0.5% HCl solution was used to etch the surfaces of the GZO/PI and GZO-SiNx/PI substrates. Finally, PECVD system was used to deposit α-Si thin film onto the etched surfaces of the GZO/PI and GZO-SiNx/PI substrates to fabricate α-Si thin film solar cells, and the solar cells’ properties were also investigated. We had found that substrates to get the optimally solar cells’ efficiency were 200 °C-deposited GZO-SiNx/PI. PMID:28788494

Time-resolved scanning electron microscopy with polarization analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frömter, Robert, E-mail: rfroemte@physik.uni-hamburg.de; Oepen, Hans Peter; The Hamburg Centre for Ultrafast Imaging, Luruper Chaussee 149, 22761 Hamburg

2016-04-04

We demonstrate the feasibility of investigating periodically driven magnetization dynamics in a scanning electron microscope with polarization analysis based on spin-polarized low-energy electron diffraction. With the present setup, analyzing the time structure of the scattering events, we obtain a temporal resolution of 700 ps, which is demonstrated by means of imaging the field-driven 100 MHz gyration of the vortex in a soft-magnetic FeCoSiB square. Owing to the efficient intrinsic timing scheme, high-quality movies, giving two components of the magnetization simultaneously, can be recorded on the time scale of hours.

Are Nonadiabatic Reaction Dynamics the Key to Novel Organosilicon Molecules? The Silicon (Si(3P))-Dimethylacetylene (C4H6(X1A1g)) System as a Case Study.

PubMed

Thomas, Aaron M; Dangi, Beni B; Yang, Tao; Kaiser, Ralf I; Lin, Lin; Chou, Tzu-Jung; Chang, Agnes H H

2018-06-06

The bimolecular gas phase reaction of ground-state silicon (Si; 3 P) with dimethylacetylene (C 4 H 6 ; X 1 A 1g ) was investigated under single collision conditions in a crossed molecular beams machine. Merged with electronic structure calculations, the data propose nonadiabatic reaction dynamics leading to the formation of singlet SiC 4 H 4 isomer(s) and molecular hydrogen (H 2 ) via indirect scattering dynamics along with intersystem crossing (ISC) from the triplet to the singlet surface. The reaction may lead to distinct energetically accessible singlet SiC 4 H 4 isomers ( 1 p8- 1 p24) in overall exoergic reaction(s) (-107 -20 +12 kJ mol -1 ). All feasible reaction products are either cyclic, carry carbene analogous silylene moieties, or carry C-Si-H or C-Si-C bonds that would require extensive isomerization from the initial collision complex(es) to the fragmenting singlet intermediate(s). The present study demonstrates the first successful crossed beams study of an exoergic reaction channel arising from bimolecular collisions of silicon, Si( 3 P), with a hydrocarbon molecule.

On the Discontinuity of Polycrystalline Silicon Thin Films Realized by Aluminum-Induced Crystallization of PECVD-Deposited Amorphous Si

NASA Astrophysics Data System (ADS)

Pan, Qingtao; Wang, Tao; Yan, Hui; Zhang, Ming; Mai, Yaohua

2017-04-01

Crystallization of glass/Aluminum (50, 100, 200 nm) /hydrogenated amorphous silicon (a-Si:H) (50, 100, 200 nm) samples by Aluminum-induced crystallization (AIC) is investigated in this article. After annealing and wet etching, we found that the continuity of the polycrystalline silicon (poly-Si) thin films was strongly dependent on the double layer thicknesses. Increasing the a-Si:H/Al layer thickness ratio would improve the film microcosmic continuity. However, too thick Si layer might cause convex or peeling off during annealing. Scanning electron microscopy (SEM) and Energy Dispersive X-ray spectroscopy (EDX) are introduced to analyze the process of the peeling off. When the thickness ratio of a-Si:H/Al layer is around 1 to 1.5 and a-Si:H layer is less than 200 nm, the poly-Si film has a good continuity. Hall measurements are introduced to determine the electrical properties. Raman spectroscopy and X-ray diffraction (XRD) results show that the poly-Si film is completely crystallized and has a preferential (111) orientation.

Atomic insight into tribochemical wear mechanism of silicon at the Si/SiO2 interface in aqueous environment: Molecular dynamics simulations using ReaxFF reactive force field

NASA Astrophysics Data System (ADS)

Wen, Jialin; Ma, Tianbao; Zhang, Weiwei; Psofogiannakis, George; van Duin, Adri C. T.; Chen, Lei; Qian, Linmao; Hu, Yuanzhong; Lu, Xinchun

2016-12-01

In this work, the atomic mechanism of tribochemical wear of silicon at the Si/SiO2 interface in aqueous environment was investigated using ReaxFF molecular dynamics (MD) simulations. Two types of Si atom removal pathways were detected in the wear process. The first is caused by the destruction of stretched Si-O-Si bonds on the Si substrate surface and is assisted by the attachment of H atoms on the bridging oxygen atoms of the bonds. The other is caused by the rupture of Si-Si bonds in the stretched Si-Si-O-Si bond chains at the interface. Both pathways effectively remove Si atoms from the silicon surface via interfacial Si-O-Si bridge bonds. Our simulations also demonstrate that higher pressures applied to the silica phase can cause more Si atoms to be removed due to the formation of increased numbers of interfacial Si-O-Si bridge bonds. Besides, water plays a dual role in the wear mechanism, by oxidizing the Si substrate surface as well as by preventing the close contact of the surfaces. This work shows that the removal of Si atoms from the substrate is a result of both chemical reaction and mechanical effects and contributes to the understanding of tribochemical wear behavior in the microelectromechanical systems (MEMS) and Si chemical mechanical polishing (CMP) process.

Si amorphization by focused ion beam milling: Point defect model with dynamic BCA simulation and experimental validation.

PubMed

Huang, J; Loeffler, M; Muehle, U; Moeller, W; Mulders, J J L; Kwakman, L F Tz; Van Dorp, W F; Zschech, E

2018-01-01

A Ga focused ion beam (FIB) is often used in transmission electron microscopy (TEM) analysis sample preparation. In case of a crystalline Si sample, an amorphous near-surface layer is formed by the FIB process. In order to optimize the FIB recipe by minimizing the amorphization, it is important to predict the amorphous layer thickness from simulation. Molecular Dynamics (MD) simulation has been used to describe the amorphization, however, it is limited by computational power for a realistic FIB process simulation. On the other hand, Binary Collision Approximation (BCA) simulation is able and has been used to simulate ion-solid interaction process at a realistic scale. In this study, a Point Defect Density approach is introduced to a dynamic BCA simulation, considering dynamic ion-solid interactions. We used this method to predict the c-Si amorphization caused by FIB milling on Si. To validate the method, dedicated TEM studies are performed. It shows that the amorphous layer thickness predicted by the numerical simulation is consistent with the experimental data. In summary, the thickness of the near-surface Si amorphization layer caused by FIB milling can be well predicted using the Point Defect Density approach within the dynamic BCA model. Copyright © 2017 Elsevier B.V. All rights reserved.

Absorption Amelioration of Amorphous Si Film by Introducing Metal Silicide Nanoparticles.

PubMed

Sun, Hui; Wu, Hsuan-Chung; Chen, Sheng-Chi; Ma Lee, Che-Wei; Wang, Xin

2017-12-01

Amorphous Si (a-Si) films with metal silicide are expected to enhance the absorption ability of pure a-Si films. In this present study, NiSi (20 nm)/Si (40 nm) and AlSi (20 nm)/Si (40 nm) bilayer thin films are deposited through radio frequency (RF) sputtering at room temperature. The influence of the film's composition and the annealing temperature on the film's optical absorption is investigated. The results show that all the NiSi/Si films and AlSi/Si films possess higher absorption ability compared to a pure a-Si film (60 nm). After annealing from 400 to 600 °C under vacuum for 1 h, the Si layer remains amorphous in both NiSi/Si films and AlSi/Si films, while the NiSi layer crystallizes into NiSi 2 phase, whereas Al atoms diffuse through the whole film during the annealing process. Consequently, with increasing the annealing temperature, the optical absorption of NiSi/Si films increases, while that of AlSi/Si films obviously degrades.

Medium-Range Structural Organization of Phosphorus-Bearing Borosilicate Glasses Revealed by Advanced Solid-State NMR Experiments and MD Simulations: Consequences of B/Si Substitutions.

PubMed

Yu, Yang; Stevensson, Baltzar; Edén, Mattias

2017-10-19

The short and intermediate range structures of a large series of bioactive borophosphosilicate (BPS) glasses were probed by solid-state nuclear magnetic resonance (NMR) spectroscopy and atomistic molecular dynamics (MD) simulations. Two BPS glass series were designed by gradually substituting SiO 2 by B 2 O 3 in the respective phosphosilicate base compositions 24.1Na 2 O-23.3CaO-48.6SiO 2 -4.0P 2 O 5 ("S49") and 24.6Na 2 O-26.7CaO-46.1SiO 2 -2.6P 2 O 5 ("S46"), the latter constituting the "45S5 Bioglass" utilized for bone grafting applications. The BPS glass networks are built by interconnected SiO 4 , BO 4 , and BO 3 moieties, whereas P exists mainly as orthophosphate anions, except for a minor network-associated portion involving P-O-Si and P-O-B [4] motifs, whose populations were estimated by heteronuclear 31 P{ 11 B} NMR experimentation. The high Na + /Ca 2+ contents give fragmented glass networks with large amounts of nonbridging oxygen (NBO) anions. The MD-generated glass models reveal an increasing propensity for NBO accommodation among the network units according to BO 4 < SiO 4 < BO 3 ≪ PO 4 . The BO 4 /BO 3 intermixing was examined by double-quantum-single-quantum correlation 11 B NMR experiments, which evidenced the presence of all three BO 3 -BO 3 , BO 3 -BO 4 , and BO 4 -BO 4 connectivities, with B [3] -O-B [4] bridges dominating. Notwithstanding that B [4] -O-B [4] linkages are disfavored, both NMR spectroscopy and MD simulations established their presence in these modifier-rich BPS glasses, along with non-negligible B [4] -NBO contacts, at odds with the conventional structural view of borosilicate glasses. We discuss the relative propensities for intermixing of the Si/B/P network formers. Despite the absence of pronounced preferences for Si-O-Si bond formation, the glass models manifest subtle subnanometer-sized structural inhomogeneities, where SiO 4 tetrahedra tend to self-associate into small chain/ring motifs embedded in BO 3 /BO 4 -dominated domains.

Modeling defects and plasticity in MgSiO3 post-perovskite: Part 2-screw and edge [100] dislocations.

PubMed

Goryaeva, Alexandra M; Carrez, Philippe; Cordier, Patrick

In this study, we propose a full atomistic study of [100] dislocations in MgSiO 3 post-perovskite based on the pairwise potential parameterized by Oganov et al. (Phys Earth Planet Inter 122:277-288, 2000) for MgSiO 3 perovskite. We model screw dislocations to identify planes where they glide easier. We show that despite a small tendency to core spreading in {011}, [100] screw dislocations glide very easily (Peierls stress of 1 GPa) in (010) where only Mg-O bonds are to be sheared. Crossing the Si-layers results in a higher lattice friction as shown by the Peierls stress of [100](001): 17.5 GPa. Glide of [100] screw dislocations in {011} appears also to be highly unfavorable. Whatever the planes, (010), (001) or {011}, edge dislocations are characterized by a wider core (of the order of 2 b ). Contrary to screw character, they bear negligible lattice friction (0.1 GPa) for each slip system. The layered structure of post-perovskite results in a drastic reduction in lattice friction opposed to the easiest slip systems compared to perovskite.

Growth optimization and characterization of GaN epilayers on multifaceted (111) surfaces etched on Si(100) substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ansah-Antwi, KwaDwo Konadu, E-mail: kakadee@gmail.com; Chua, Soo Jin; Department of Electrical and Computer Engineering, National University of Singapore, E4-5-45, 4 Engineering Drive 3, Singapore 117576

2015-11-15

The four nearest Si(111) multifaceted sidewalls were exposed inside an array of 3 μm-wide square holes patterned on an Si(100) substrate, and this patterned Si(100) substrate was used as a substrate for the deposition of a gallium nitride (GaN) epilayer. Subsequently the effect that the growth pressure, the etched-hole profiles, and the etched-hole arrangement had upon the quality of the as-grown GaN was investigated. The coalescence of the as-grown GaN epilayer on the exposed Si(111) facets was observed to be enhanced with reduced growth pressure from 120 to 90 Torr. A larger Si(001) plane area at the bottom of the etched holesmore » resulted in bidirectional GaN domains, which resulted in poor material quality. The bidirectional GaN domains were observed as two sets of six peaks via a high-resolution x-ray diffraction phi scan of the GaN(10-11) reflection. It was also shown that a triangular array of etched holes was more desirable than square arrays of etched holes for the growth high-quality and continuous GaN films.« less

Polysilicon Prepared from SiCl4 by Atmospheric-Pressure Non-Thermal Plasma

NASA Astrophysics Data System (ADS)

Li, Xiaosong; Wang, Nan; Yang, Jinhua; Wang, Younian; Zhu, Aimin

2011-10-01

Non-thermal plasma at atmospheric pressure was explored for the preparation of polysilicon from SiCl4. The power supply sources of positive pulse and alternating current (8 kHz and 100 kHz) were compared for polysilicon preparation. The samples prepared by using the 100 kHz power source were crystalline silicon. The effects of H2 and SiCl4 volume fractions were investigated. The optical emission spectra showed that silicon species played an important role in polysilicon deposition

Estimating the Basic Reproductive Number (R0) for African Swine Fever Virus (ASFV) Transmission between Pig Herds in Uganda.

PubMed

Barongo, Mike B; Ståhl, Karl; Bett, Bernard; Bishop, Richard P; Fèvre, Eric M; Aliro, Tony; Okoth, Edward; Masembe, Charles; Knobel, Darryn; Ssematimba, Amos

2015-01-01

African swine fever (ASF) is a highly contagious, lethal and economically devastating haemorrhagic disease of domestic pigs. Insights into the dynamics and scale of virus transmission can be obtained from estimates of the basic reproduction number (R0). We estimate R0 for ASF virus in small holder, free-range pig production system in Gulu, Uganda. The estimation was based on data collected from outbreaks that affected 43 villages (out of the 289 villages with an overall pig population of 26,570) between April 2010 and November 2011. A total of 211 outbreaks met the criteria for inclusion in the study. Three methods were used, specifically; (i) GIS- based identification of the nearest infectious neighbour based on the Euclidean distance between outbreaks, (ii) epidemic doubling time, and (iii) a compartmental susceptible-infectious (SI) model. For implementation of the SI model, three approaches were used namely; curve fitting (CF), a linear regression model (LRM) and the SI/N proportion. The R0 estimates from the nearest infectious neighbour and epidemic doubling time methods were 3.24 and 1.63 respectively. Estimates from the SI-based method were 1.58 for the CF approach, 1.90 for the LRM, and 1.77 for the SI/N proportion. Since all these values were above one, they predict the observed persistence of the virus in the population. We hypothesize that the observed variation in the estimates is a consequence of the data used. Higher resolution and temporally better defined data would likely reduce this variation. This is the first estimate of R0 for ASFV in a free range smallholder pig keeping system in sub-Saharan Africa and highlights the requirement for more efficient application of available disease control measures.

Small interfering ribonucleic acid induces liquid-to-ripple phase transformation in a phospholipid membrane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choubey, Amit; Nomura, Ken-ichi; Kalia, Rajiv K.

Small interfering ribonucleic acid (siRNA) molecules play a pivotal role in silencing gene expression via the RNA interference mechanism. A key limitation to the widespread implementation of siRNA therapeutics is the difficulty of delivering siRNA-based drugs to cells. Here, we examine changes in the structure and dynamics of a dipalmitoylphosphatidylcholine bilayer in the presence of a siRNA molecule and mechanical barriers to siRNA transfection in the bilayer. Our all-atom molecular dynamics simulation shows that siRNA induces a liquid crystalline-to-ripple phase transformation in the bilayer. The ripple phase consists of a major region of non-interdigitated and a minor region of interdigitatedmore » lipid molecules with an intervening kink. In the ripple phase, hydrocarbon chains of lipid molecules have large compressive stresses, which present a considerable barrier to siRNA transfection.« less

Flexural resonance mechanism of thermal transport across graphene-SiO2 interfaces

NASA Astrophysics Data System (ADS)

Ong, Zhun-Yong; Qiu, Bo; Xu, Shanglong; Ruan, Xiulin; Pop, Eric

2018-03-01

Understanding the microscopic mechanism of heat dissipation at the dimensionally mismatched interface between a two-dimensional (2D) crystal and its substrate is crucial for the thermal management of devices based on 2D materials. Here, we study the lattice contribution to thermal (Kapitza) transport at graphene-SiO2 interfaces using molecular dynamics (MD) simulations and non-equilibrium Green's functions (NEGF). We find that 78 percent of the Kapitza conductance is due to sub-20 THz flexural acoustic modes, and that a resonance mechanism dominates the interfacial phonon transport. MD and NEGF estimate the classical Kapitza conductance to be hK ≈ 10 to 16 MW K-1 m-2 at 300 K, respectively, consistent with existing experimental observations. Taking into account quantum mechanical corrections, this value is approximately 28% lower at 300 K. Our calculations also suggest that hK scales as T2 at low temperatures (T < 100 K) due to the linear frequency dependence of phonon transmission across the graphene-SiO2 interface at low frequencies. Our study sheds light on the role of flexural acoustic phonons in heat dissipation from graphene to its substrate.

Structural consequences of hydrogen intercalation of epitaxial graphene on SiC(0001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Emery, Jonathan D., E-mail: jdemery@anl.gov, E-mail: bedzyk@northwestern.edu; Johns, James E.; McBriarty, Martin E.

2014-10-20

The intercalation of various atomic species, such as hydrogen, to the interface between epitaxial graphene (EG) and its SiC substrate is known to significantly influence the electronic properties of the graphene overlayers. Here, we use high-resolution X-ray reflectivity to investigate the structural consequences of the hydrogen intercalation process used in the formation of quasi-free-standing (QFS) EG/SiC(0001). We confirm that the interfacial layer is converted to a layer structurally indistinguishable from that of the overlying graphene layers. This newly formed graphene layer becomes decoupled from the SiC substrate and, along with the other graphene layers within the film, is vertically displacedmore » by ∼2.1 Å. The number of total carbon layers is conserved during the process, and we observe no other structural changes such as interlayer intercalation or expansion of the graphene d-spacing. These results clarify the under-determined structure of hydrogen intercalated QFS-EG/SiC(0001) and provide a precise model to inform further fundamental and practical understanding of the system.« less

Dangling-bond logic gates on a Si(100)-(2 × 1)-H surface.

PubMed

Kawai, Hiroyo; Ample, Francisco; Wang, Qing; Yeo, Yong Kiat; Saeys, Mark; Joachim, Christian

2012-03-07

Atomic-scale Boolean logic gates (LGs) with two inputs and one output (i.e. OR, NOR, AND, NAND) were designed on a Si(100)-(2 × 1)-H surface and connected to the macroscopic scale by metallic nano-pads physisorbed on the Si(100)-(2 × 1)-H surface. The logic inputs are provided by saturating and unsaturating two surface Si dangling bonds, which can, for example, be achieved by adding and extracting two hydrogen atoms per input. Quantum circuit design rules together with semi-empirical elastic-scattering quantum chemistry transport calculations were used to determine the output current intensity of the proposed switches and LGs when they are interconnected to the metallic nano-pads by surface atomic-scale wires. Our calculations demonstrate that the proposed devices can reach ON/OFF ratios of up to 2000 for a running current in the 10 µA range.

Electrical resistivity of substitutionally disordered hcp Fe-Si and Fe-Ni alloys: Chemically-induced resistivity saturation in the Earth's core

NASA Astrophysics Data System (ADS)

Gomi, Hitoshi; Hirose, Kei; Akai, Hisazumi; Fei, Yingwei

2016-10-01

The thermal conductivity of the Earth's core can be estimated from its electrical resistivity via the Wiedemann-Franz law. However, previously reported resistivity values are rather scattered, mainly due to the lack of knowledge with regard to resistivity saturation (violations of the Bloch-Grüneisen law and the Matthiessen's rule). Here we conducted high-pressure experiments and first-principles calculations in order to clarify the relationship between the resistivity saturation and the impurity resistivity of substitutional silicon in hexagonal-close-packed (hcp) iron. We measured the electrical resistivity of Fe-Si alloys (iron with 1, 2, 4, 6.5, and 9 wt.% silicon) using four-terminal method in a diamond-anvil cell up to 90 GPa at 300 K. We also computed the electronic band structure of substitutionally disordered hcp Fe-Si and Fe-Ni alloy systems by means of Korringa-Kohn-Rostoker method with coherent potential approximation (KKR-CPA). The electrical resistivity was then calculated from the Kubo-Greenwood formula. These experimental and theoretical results show excellent agreement with each other, and the first principles results show the saturation behavior at high silicon concentration. We further calculated the resistivity of Fe-Ni-Si ternary alloys and found the violation of the Matthiessen's rule as a consequence of the resistivity saturation. Such resistivity saturation has important implications for core dynamics. The saturation effect places the upper limit of the resistivity, resulting in that the total resistivity value has almost no temperature dependence. As a consequence, the core thermal conductivity has a lower bound and exhibits a linear temperature dependence. We predict the electrical resistivity at the top of the Earth's core to be 1.12 ×10-6 Ωm, which corresponds to the thermal conductivity of 87.1 W/m/K. Such high thermal conductivity suggests high isentropic heat flow, leading to young inner core age (<0.85 Gyr old) and high initial core temperature. It also strongly suppresses thermal convection in the core, which results in no convective motion in inner core and possibly thermally stratified layer in the outer core.

Deep Reactive Ion Etching (DRIE) of High Aspect Ratio SiC Microstructures using a Time-Multiplexed Etch-Passivate Process

NASA Technical Reports Server (NTRS)

Evans, Laura J.; Beheim, Glenn M.

2006-01-01

High aspect ratio silicon carbide (SiC) microstructures are needed for microengines and other harsh environment micro-electro-mechanical systems (MEMS). Previously, deep reactive ion etching (DRIE) of low aspect ratio (AR less than or = 1) deep (greater than 100 micron) trenches in SiC has been reported. However, existing DRIE processes for SiC are not well-suited for definition of high aspect ratio features because such simple etch-only processes provide insufficient control over sidewall roughness and slope. Therefore, we have investigated the use of a time-multiplexed etch-passivate (TMEP) process, which alternates etching with polymer passivation of the etch sidewalls. An optimized TMEP process was used to etch high aspect ratio (AR greater than 5) deep (less than 100 micron) trenches in 6H-SiC. Power MEMS structures (micro turbine blades) in 6H-SiC were also fabricated.

Growth of antiphase-domain-free GaP on Si substrates by metalorganic chemical vapor deposition using an in situ AsH{sub 3} surface preparation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Warren, Emily L., E-mail: emily.warren@nrel.gov; Kibbler, Alan E.; France, Ryan M.

2015-08-24

Antiphase-domain (APD) free GaP films were grown on Si(100) substrates prepared by annealing under dilute AsH{sub 3} in situ in an MOCVD reactor. LEED and AES surface analysis of Si(100) surfaces prepared by this treatment show that AsH{sub 3} etching quickly removes O and C contaminants at a relatively low temperature (690–740 °C), and creates a single-domain “A-type” As/Si surface reconstruction. The resulting GaP epilayers grown at the same temperature are APD-free, and could thereby serve as templates for direct growth of III-V semiconductors on Si. This single chamber process has a low thermal budget, and can enable heteroepitaxial integration ofmore » III-Vs and Si at an industrial scale.« less

Luminescence studies of laser MBE grown GaN on ZnO nanostructures

NASA Astrophysics Data System (ADS)

Dewan, Sheetal; Tomar, Monika; Kapoor, Ashok K.; Tandon, R. P.; Gupta, Vinay

2017-08-01

GaN films have been successfully fabricated using Laser Molecular Beam Epitaxy (LMBE) technique on bare c-plane sapphire substrate and ZnO nanostructures (NS) decorated Si (100) substrates. The ZnO nanostructures were grown on Si (100) substrate using high pressure assisted Pulsed laser deposition technique in inert gas ambience. Discrete nanostructured morphology of ZnO was obtained using the PLD growth on Si substrates. Photoluminescence studies performed on the prepared GaN/Sapphire and GaN/ZnO-NS/Si systems, revealed a significant PL enhancement in case of GaN/ZnO-NS/Si system compared to the former. The hexagonal nucleation sites provided by the ZnO nanostructures strategically enhanced the emission of GaN film grown by Laser MBE Technique at relatively lower temperature of 700°C. The obtained results are attractive for the realization of highly luminescent GaN films on Si substrate for photonic devices.

Single Molecule Cluster Analysis Identifies Signature Dynamic Conformations along the Splicing Pathway

PubMed Central

Blanco, Mario R.; Martin, Joshua S.; Kahlscheuer, Matthew L.; Krishnan, Ramya; Abelson, John; Laederach, Alain; Walter, Nils G.

2016-01-01

The spliceosome is the dynamic RNA-protein machine responsible for faithfully splicing introns from precursor messenger RNAs (pre-mRNAs). Many of the dynamic processes required for the proper assembly, catalytic activation, and disassembly of the spliceosome as it acts on its pre-mRNA substrate remain poorly understood, a challenge that persists for many biomolecular machines. Here, we developed a fluorescence-based Single Molecule Cluster Analysis (SiMCAn) tool to dissect the manifold conformational dynamics of a pre-mRNA through the splicing cycle. By clustering common dynamic behaviors derived from selectively blocked splicing reactions, SiMCAn was able to identify signature conformations and dynamic behaviors of multiple ATP-dependent intermediates. In addition, it identified a conformation adopted late in splicing by a 3′ splice site mutant, invoking a mechanism for substrate proofreading. SiMCAn presents a novel framework for interpreting complex single molecule behaviors that should prove widely useful for the comprehensive analysis of a plethora of dynamic cellular machines. PMID:26414013

Deformation of Ordinary Chondrite Under Very Reducing Conditons: Implications for Liquid Metal Compositions, HSE Partitioning and Enstatite Chondrites

NASA Astrophysics Data System (ADS)

Rushmer, T.; Corgne, A.

2008-12-01

One important method in which to gain insight into metallic liquid compositions and their ability to control HSE (highly siderophile element) distribution is through experimentation. Deformation experiments can additionally provide information into mechanisms and chemical consequences of dynamic liquid metal segregation under a variety of conditions. We report results on metallic liquid HSE compositions and their distribution from a set of deformation experiments on a natural H6 ordinary chondrite, performed under very reducing conditions and a series of phase equilibria experiments focused on HSE partitioning between Si-rich and S-rich Fe molten alloys. The deformation experiments were conducted at temperatures between 925°C and 950°C, at 1.3 GPa confining pressure with a strain rate of 10-4/s. Major element analyses of both silicate and metal phases show that they are considerably reduced and the typically lithophile elements are behaving like siderophiles. Fe-Ni-Si compositions are found in the shear zones produced during the deformation experiment. Metallic compositions also include (Mg,Fe,Ca)S, Fe-Ni-Si, FeP, and Fe-Ni-S quench metal. Silicate phases include forsterite (Fo92-96) and enstatite (En98). Highly siderophile element (HSE) concentrations have been measured in the sulphide ((Fe,Mg,Ca)S) and metal (Fe- Ni-Si) phases by LA-ICPMS and compared with results from an earlier set of experiments on the same material but which were not performed under reducing conditions. The partitioning of the PGE is modified by the changing conditions with elements such as Ir and Os having higher DMetal/Sulphide values under reducing conditions. Partitioning experiments between molten FeS and Ni-, Si-bearing molten Fe were performed at 1.5-5.0 GPa and 1500-1750° to further investigate this observation. The starting material is synthetic, doped with a range of trace and HSE elements. The results confirm the preference of the HSE for the metallic phase with DMetal/Sulphide > 100 in most cases, in contrast to Cu and Ag, which have D values near or below 1, respectively. Our results also suggest the possibility of significant PGE fractionation since D values are larger for Ir and Os and smaller for Pd and Au, with Pt, Ru, Rh having intermediate values. It is not clear with the present data set whether T and P variations can affect significantly HSE partitioning. These results have been applied to the most naturally reduced material we know, the Enstatite chondrites. Several E chondrites have bulk HSE data available, but no HSE data available on sulphide and metallic phases themselves. We have now a set of HSE data for individual metallic phases in several enstatite chondrites, both EH and ELs. The bulk data show that for elements such as Os and Pd, the abundances are positively correlated and overall Pd is much higher in abundance. We find in the experiments that DPd ranges between 10-100, but do not fully explain the bulk trends. Additional phases, such as FeP have therefore been analyzed and we find that Pd is concentrated in FeP and the presence of schreibersite may help explain the high Pd ratios (e.g. Pd/Ir) observed in the Enstatite chondrites.

FI-STM study of hydrogen adsorption on Si(100) surface

NASA Astrophysics Data System (ADS)

Hua, Lu; Xiang-dong, Wang; Motai, K.; Hashizume, T.; Sakurai, T.

1992-11-01

Chemisorption of atomic hydrogen on the Si(100)2 × 1 surface has been investigated in detail by using a field ion-scanning tunneling microscope (FI-STM). The results showed that the adsorption geometry changed from the 2 × 1 monohydride phase to the 1 × 1 dihydride phase with increasing exposure of hydrogen. The data of desorption of the hydrogen-saturated Si surface showed that on annealing at 670 K the surface becomes highly disordered: the 1 × 1 dihydride structure is eliminated and the 2 × 1 reconstructed monohydride is also hardly to identify. When the temperature rises to as high as 730 K, the surface is dominated by the 2 × 1 structure with missing dimer rows, and some adatom chains occur on the Si substrate terraces. We attribute the formation of these atomic chains to an epitaxial growth of Si atoms which are formed by the dissociation of SiHx (x = 1, 2, 3 or 4) compounds on the Si surface.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Excellent Passivation of p-Type Si Surface by Sol-Gel Al2O3 Films

NASA Astrophysics Data System (ADS)

Xiao, Hai-Qing; Zhou, Chun-Lan; Cao, Xiao-Ning; Wang, Wen-Jing; Zhao, Lei; Li, Hai-Ling; Diao, Hong-Wei

2009-08-01

Al2O3 films with a thickness of about 100 nm synthesized by spin coating and thermally treated are applied for field-induced surface passivation of p-type crystalline silicon. The level of surface passivation is determined by techniques based on photoconductance. An effective surface recombination velocity below 100 cm/s is obtained on 10Ω ·cm p-type c-Si wafers (Cz Si). A high density of negative fixed charges in the order of 1012 cm-2 is detected in the Al2O3 films and its impact on the level of surface passivation is demonstrated experimentally. Furthermore, a comparison between the surface passivation achieved for thermal SiO2 and plasma enhanced chemical vapor deposition SiNx:H films on the same c-Si is presented. The high negative fixed charge density explains the excellent passivation of p-type c-Si by Al2O3.

Implications for plastic flow in the deep mantle from modelling dislocations in MgSiO3 minerals.

PubMed

Carrez, Philippe; Ferré, Denise; Cordier, Patrick

2007-03-01

The dynamics of the Earth's interior is largely controlled by mantle convection, which transports radiogenic and primordial heat towards the surface. Slow stirring of the deep mantle is achieved in the solid state through high-temperature creep of rocks, which are dominated by the mineral MgSiO3 perovskite. Transformation of MgSiO3 to a 'post-perovskite' phase may explain the peculiarities of the lowermost mantle, such as the observed seismic anisotropy, but the mechanical properties of these mineralogical phases are largely unknown. Plastic flow of solids involves the motion of a large number of crystal defects, named dislocations. A quantitative description of flow in the Earth's mantle requires information about dislocations in high-pressure minerals and their behaviour under stress. This property is currently out of reach of direct atomistic simulations using either empirical interatomic potentials or ab initio calculations. Here we report an alternative to direct atomistic simulations based on the framework of the Peierls-Nabarro model. Dislocation core models are proposed for MgSiO3 perovskite (at 100 GPa) and post-perovskite (at 120 GPa). We show that in perovskite, plastic deformation is strongly influenced by the orthorhombic distortions of the unit cell. In silicate post-perovskite, large dislocations are relaxed through core dissociation, with implications for the mechanical properties and seismic anisotropy of the lowermost mantle.

Nano-phase separation and structural ordering in silica-rich mixed network former glasses.

PubMed

Liu, Hao; Youngman, Randall E; Kapoor, Saurabh; Jensen, Lars R; Smedskjaer, Morten M; Yue, Yuanzheng

2018-06-13

We investigate the structure, phase separation, glass transition, and crystallization in a mixed network former glass series, i.e., B2O3-Al2O3-SiO2-P2O5 glasses with varying SiO2/B2O3 molar ratio. All the studied glasses exhibit two separate glassy phases: droplet phase (G1) with the size of 50-100 nm and matrix phase (G2), corresponding to a lower calorimetric glass transition temperature (Tg1) and a higher one (Tg2), respectively. Both Tg values decrease linearly with the substitution of B2O3 for SiO2, but the magnitude of the decrease is larger for Tg1. Based on nuclear magnetic resonance and Raman spectroscopy results, we infer that the G1 phase is rich in boroxol rings, while the G2 phase mainly involves the B-O-Si network. Both phases contain BPO4- and AlPO4-like units. Ordered domains occur in G2 upon isothermal and dynamic heating, driven by the structural heterogeneity in the as-prepared glasses. The structural ordering lowers the activation energy of crystal growth, thus promoting partial crystallization of G2. These findings are useful for understanding glass formation and phase separation in mixed network former oxide systems, and for tailoring their properties.

Near-surface density profiling of Fe ion irradiated Si (100) using extremely asymmetric x-ray diffraction by variation of the wavelength

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khanbabaee, B., E-mail: khanbabaee@physik.uni-siegen.de; Pietsch, U.; Facsko, S.

2014-10-20

In this work, we report on correlations between surface density variations and ion parameters during ion beam-induced surface patterning process. The near-surface density variations of irradiated Si(100) surfaces were investigated after off-normal irradiation with 5 keV Fe ions at different fluences. In order to reduce the x-ray probing depth to a thickness below 5 nm, the extremely asymmetrical x-ray diffraction by variation of wavelength was applied, exploiting x-ray refraction at the air-sample interface. Depth profiling was achieved by measuring x-ray rocking curves as function of varying wavelengths providing incidence angles down to 0°. The density variation was extracted from the deviationsmore » from kinematical Bragg angle at grazing incidence angles due to refraction of the x-ray beam at the air-sample interface. The simulations based on the dynamical theory of x-ray diffraction revealed that while a net near-surface density decreases with increasing ion fluence which is accompanied by surface patterning, there is a certain threshold of ion fluence to surface density modulation. Our finding suggests that the surface density variation can be relevant with the mechanism of pattern formation.« less

Lightweight Aluminum/Nano composites for Automotive Drive Train Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chelluri, Bhanumathi; Knoth, Edward A.; Schumaker, Edward J.

2012-12-14

During Phase I, we successfully processed air atomized aluminum powders via Dynamic Magnetic Compaction (DMC) pressing and subsequent sintering to produce parts with properties similar to wrought aluminum. We have also showed for the first time that aluminum powders can be processed without lubes via press and sintering to 100 % density. This will preclude a delube cycle in sintering and promote environmentally friendly P/M processing. Processing aluminum powders via press and sintering with minimum shrinkage will enable net shape fabrication. Aluminum powders processed via a conventional powder metallurgy process produce too large a shrinkage. Because of this, sinter partsmore » have to be machined into specific net shape. This results in increased scrap and cost. Fully sintered aluminum alloy under this Phase I project has shown good particle-to-particle bonding and mechanical properties. We have also shown the feasibility of preparing nano composite powders and processing via pressing and sintering. This was accomplished by dispersing nano silicon carbide (SiC) powders into aluminum matrix comprising micron-sized powders (<100 microns) using a proprietary process. These composite powders of Al with nano SiC were processed using DMC press and sinter process to sinter density of 85-90%. The process optimization along with sintering needs to be carried out to produce full density composites.« less

Study of Bulk and Elementary Screw Dislocation Assisted Reverse Breakdown in Low-Voltage (< 250 V) 4H-SiC p(sup +)n Junction Diodes--Part II: Dynamic Breakdown Properties. Part 2; Dynamic Breakdown Properties

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Fazi, Christian

1999-01-01

This paper outlines the dynamic reverse-breakdown characteristics of low-voltage (<250 V) small-area <5 x 10(exp -4) sq cm 4H-SiC p(sup +)n diodes subjected to nonadiabatic breakdown-bias pulsewidths ranging from 0.1 to 20 microseconds. 4H-SiC diodes with and without elementary screw dislocations exhibited positive temperature coefficient of breakdown voltage and high junction failure power densities approximately five times larger than the average failure power density of reliable silicon pn rectifiers. This result indicates that highly reliable low-voltage SiC rectifiers may be attainable despite the presence of elementary screw dislocations. However, the impact of elementary screw dislocations on other more useful 4H-SiC power device structures, such as high-voltage (>1 kV) pn junction and Schottky rectifiers, and bipolar gain devices (thyristors, IGBT's, etc.) remains to be investigated.

Influence of 2D electrostatic effects on the high-frequency noise behavior of sub-100-nm scaled MOSFETs

NASA Astrophysics Data System (ADS)

Rengel, Raul; Pardo, Daniel; Martin, Maria J.

2004-05-01

In this work, we have performed an investigation of the consequences of dowscaling the bulk MOSFET beyond the 100 nm range by means of a particle-based Monte Carlo simulator. Taking a 250 nm gate-length ideal structure as the starting point, the constant field scaling rules (also known as "classical" scaling) are considered and the high-frequency dynamic and noise performance of transistors with 130 nm, 90 nm and 60 nm gate-lengths are studied in depth. The analysis of internal quantities such as electric fields, velocity and energy of carriers or conduction band profiles shows the increasing importance of electrostatic two-dimensional effects due to the proximity of source and drain regions even when the most ideal bias conditions are imposed. As a consequence, a loss of the transistor action for the smallest MOSFET and the degradation of the most important high-frequency figures of merit is observed. Whereas the comparative values of intrinsic noise sources (SID, SIG) are improved when reducing the dimensions and the bias voltages, the poor dynamic performance yields an overall worse noise behaviour than expected (especially for Rn and Gass), limiting at the same time the useful bias ranges and conditions for a proper low-noise configuration.

Preparation and Ferroelectric Property of (100)-ORIENTED Ca0.4Sr0.6Bi4Ti4O15 Thin Film on Pt/Ti/SiO2/Si Substrate

NASA Astrophysics Data System (ADS)

Fan, Suhua; Che, Quande; Zhang, Fengqing

The (100)-oriented Ca0.4Sr0.6Bi4Ti4O15(C0.4S0.6BTi) thin film was successfully prepared by a sol-gel method on Pt/Ti/SiO2/Si substrate. The orientation and formation of thin films under different annealing schedules were studied using XRD and SEM. XRD analysis indicated that (100)-oriented C0.4S0.6BTi thin film with degree of orientation of I(200)/I(119) = 1.60 was prepared by preannealing the film at 400°C for 3 min followed by rapid thermal annealing at 800°C for 5 min. SEM analysis further indicated that the (100)-oriented C0.4S0.6BTi thin film with a thickness of about 800 nm was mainly composed of equiaxed grains. The remanent polarization and coercive field of the film were 16.1 μC/cm2 and 85 kV/cm, respectively.

Sodium-induced ordering of the benzoate species on Si(100)-2×1: a combined HREELS, XPS and NEXAFS study

NASA Astrophysics Data System (ADS)

Bitzer, T.; Richardson, N. V.; Reiss, S.; Wühn, M.; Wöll, Ch.

2000-06-01

The structure of benzoate on Na/Si(100)-2×1 has been studied by high resolution electron energy loss spectroscopy, X-ray photoelectron spectroscopy and near edge X-ray adsorption fine structure spectroscopy. At room temperature, benzoic acid (C 6H 5COOH) chemisorbs on Na/Si(100)-2×1 through a cleavage of the OH bond in the carboxylic group. The benzoate molecules formed are bonded exclusively to the sodium atoms in a bidentate coordination, in which the oxygen atoms are equivalent. At room temperature, benzoate saturation on Na/Si(100)-2×1 is reached at a coverage of one benzoate species for each Na atom or silicon dimer. At this coverage, the molecules are tilted in polar direction by 62°±4° to the surface plane and azimuthally rotated by 41°±4° with respect to the [01 1] surface azimuth. We propose an adsorbate structure, in which the benzoate molecules are oriented parallel to each other in densely packed rows.

Towards III-V solar cells on Si: Improvement in the crystalline quality of Ge-on-Si virtual substrates through low porosity porous silicon buffer layer and annealing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Calabrese, Gabriele; Baricordi, Stefano; Bernardoni, Paolo

2014-09-26

A comparison between the crystalline quality of Ge grown on bulk Si and on a low porosity porous Si (pSi) buffer layer using low energy plasma enhanced chemical vapor deposition is reported. Omega/2Theta coupled scans around the Ge and Si (004) diffraction peaks show a reduction of the Ge full-width at half maximum (FWHM) of 22.4% in presence of the pSi buffer layer, indicating it is effective in improving the epilayer crystalline quality. At the same time atomic force microscopy analysis shows an increase in root means square roughness for Ge grown on pSi from 38.5 nm to 48.0 nm,more » as a consequence of the larger surface roughness of pSi compared to bulk Si. The effect of 20 minutes vacuum annealing at 580°C is also investigated. The annealing leads to a FWHM reduction of 23% for Ge grown on Si and of 36.5% for Ge on pSi, resulting in a FWHM of 101 arcsec in the latter case. At the same time, the RMS roughness is reduced of 8.8% and of 46.5% for Ge grown on bulk Si and on pSi, respectively. The biggest improvement in the crystalline quality of Ge grown on pSi with respect to Ge grown on bulk Si observed after annealing is a consequence of the simultaneous reorganization of the Ge epilayer and the buffer layer driven by energy minimization. A low porosity buffer layer can thus be used for the growth of low defect density Ge on Si virtual substrates for the successive integration of III-V multijunction solar cells on Si. The suggested approach is simple and fast –thus allowing for high throughput-, moreover is cost effective and fully compatible with subsequent wafer processing. Finally it does not introduce new chemicals in the solar cell fabrication process and can be scaled to large area silicon wafers.« less

Effects of SiO2 substitution on wettability of laser deposited Ca-P biocoating on Ti-6Al-4V.

PubMed

Yang, Yuling; Paital, Sameer R; Dahotre, Narendra B

2010-09-01

Silicon (Si) substitution in the crystal structure of calcium phosphate (CaP) ceramics has proved to generate materials with improved bioactivity than their stoichiometric counterpart. In light of this, in the current work, 100 wt% hydroxyapatite (HA) precursor and 25 wt% SiO(2)-HA precursors were used to prepare bioactive coatings on Ti-6Al-4V substrates by a laser cladding technique. The effects of SiO(2) on phase constituents, crystallite size, surface roughness, and surface energy of the CaP coatings were studied. Furthermore, on the basis of these results, the effects and roles of SiO(2) substitution in HA were systematically discussed. X-ray diffraction analysis of the coated samples indicated the presence of various phases such as CaTiO(3), Ca(2)SiO(4), Ca(3)(PO(4))(2), TiO(2) (Anatase), and TiO(2) (Rutile). The addition of SiO(2) in the HA precursor resulted in the refinement of grain size. Confocal laser microscopy characterization of the surface morphology demonstrated an improved surface roughness for samples with 25 wt% SiO(2)-HA precursor compared to the samples with 100 wt% HA precursor processed at 125 cm/min laser speed. The addition of SiO(2) in the HA precursor resulted in the highest surface energy, increased hydrophilicity, and improved biomineralization as compared to the control (untreated Ti-6Al-4V) and the sample with 100 wt% HA as precursor. The microstructural evolution observed using a scanning electron microscopy indicated that the addition of SiO(2) in the HA precursor resulted in the presence of reduced cracking across the cross-section of the bioceramic coating.

Variations in interface compound nucleation for Ti-Al ultrathin films on Si substrates

NASA Astrophysics Data System (ADS)

Han, C. C.; Bené, R. W.

1985-11-01

We have determined the structures of compounds nucleated in a series of sequentially sputtered thin bilayer films of Al and Ti on Si substrates for a range of metal thicknesses and for both (100) and (111) substrates. The compound structures were determined by transmission electron microscopy and diffraction, augmented by Auger electron spectroscopy. An annealing temperature of about 380 °C for 30 min was required to produce compound nucleation. For the Ti/Al/Si(100) system it was found that the phases which were nucleated for samples with 30-min, 380 °C anneals varied from TiAl3 to Ti8Al24 to an unknown compound of tetragonal structure (a=b=5.782 Å, c=6.713 Å) as the Al intermediate layer thickness is changed from 200 to 60 to 40 Å. TiAl3 was the compound nucleated at 380 °C for all other cases. Finally, 410 °C annealing of the Al/Ti/Si(100) samples for 30 min resulted in formation of an apparently Al-altered form of TiSi2.

Magnetic Fields in Evolved Stars: Imaging the Polarized Emission of High-frequency SiO Masers

NASA Astrophysics Data System (ADS)

Vlemmings, W. H. T.; Humphreys, E. M. L.; Franco-Hernández, R.

2011-02-01

We present Submillimeter Array observations of high-frequency SiO masers around the supergiant VX Sgr and the semi-regular variable star W Hya. The J = 5-4, v = 128SiO and v = 029SiO masers of VX Sgr are shown to be highly linearly polarized with a polarization from ~5% to 60%. Assuming the continuum emission peaks at the stellar position, the masers are found within ~60 mas of the star, corresponding to ~100 AU at a distance of 1.57 kpc. The linear polarization vectors are consistent with a large-scale magnetic field, with position and inclination angles similar to that of the dipole magnetic field inferred in the H2O and OH maser regions at much larger distances from the star. We thus show for the first time that the magnetic field structure in a circumstellar envelope can remain stable from a few stellar radii out to ~1400 AU. This provides further evidence supporting the existence of large-scale and dynamically important magnetic fields around evolved stars. Due to a lack of parallactic angle coverage, the linear polarization of masers around W Hya could not be determined. For both stars, we observed the 28SiO and 29SiO isotopologues and find that they have a markedly different distributions and that they appear to avoid each other. Additionally, emission from the SO 55-44 line was imaged for both sources. Around W Hya, we find a clear offset between the red- and blueshifted SO emission. This indicates that W Hya is likely host to a slow bipolar outflow or a rotating disk-like structure.

Mechanistic profiling of the siRNA delivery dynamics of lipid-polymer hybrid nanoparticles.

PubMed

Colombo, Stefano; Cun, Dongmei; Remaut, Katrien; Bunker, Matt; Zhang, Jianxin; Martin-Bertelsen, Birte; Yaghmur, Anan; Braeckmans, Kevin; Nielsen, Hanne M; Foged, Camilla

2015-03-10

Understanding the delivery dynamics of nucleic acid nanocarriers is fundamental to improve their design for therapeutic applications. We investigated the carrier structure-function relationship of lipid-polymer hybrid nanoparticles (LPNs) consisting of poly(DL-lactic-co-glycolic acid) (PLGA) nanocarriers modified with the cationic lipid dioleoyltrimethyl-ammoniumpropane (DOTAP). A library of siRNA-loaded LPNs was prepared by systematically varying the nitrogen-to-phosphate (N/P) ratio. Atomic force microscopy (AFM) and cryo-transmission electron microscopy (cryo-TEM) combined with small angle X-ray scattering (SAXS) and confocal laser scanning microscopy (CLSM) studies suggested that the siRNA-loaded LPNs are characterized by a core-shell structure consisting of a PLGA matrix core coated with lamellar DOTAP structures with siRNA localized both in the core and in the shell. Release studies in buffer and serum-containing medium combined with in vitro gene silencing and quantification of intracellular siRNA suggested that this self-assembling core-shell structure influences the siRNA release kinetics and the delivery dynamics. A main delivery mechanism appears to be mediated via the release of transfection-competent siRNA-DOTAP lipoplexes from the LPNs. Based on these results, we suggest a model for the nanostructural characteristics of the LPNs, in which the siRNA is organized in lamellar superficial assemblies and/or as complexes entrapped in the polymeric matrix. Copyright © 2015 Elsevier B.V. All rights reserved.

Stress effects on the initial lithiation of crystalline silicon nanowires: Reactive molecular dynamics simulations using ReaxFF

DOE PAGES

Ostadhossein, Alireza; Cubuk, Ekin D.; Tritsaris, Georgios A.; ...

2014-12-18

Silicon (Si) has been recognized as a promising anode material for the next-generation high-capacity lithium (Li)-ion batteries because of its high theoretical energy density. Recent in situ transmission electron microscopy (TEM) revealed that the electrochemical lithiation of crystalline Si nanowires (c-SiNWs) proceeds by the migration of the interface between the lithiated Si (LixSi) shell and the pristine unlithiated core, accompanied by solid-state amorphization. The underlying atomic mechanisms of Li insertion into c-Si remain poorly understood. In this research, we perform molecular dynamics (MD) simulations using the reactive force field (ReaxFF) to characterize the lithiation process of c-SiNWs. Our calculations showmore » that ReaxFF can accurately reproduce the energy barriers of Li migration from DFT calculations in both crystalline (c-Si) and amorphous Si (a-Si). The ReaxFF-based MD simulations reveal that Li insertion into interlayer spacing between two adjacent (111) planes results in the peeling-off of the (111) facets and subsequent amorphization, in agreement with experimental observations. We find that breaking of the Si–Si bonds between (111)-bilayers requires a rather high local Li concentration, which explains the atomically sharp amorphous–crystalline interface (ACI). Our stress analysis shows that lithiation induces compressive stress at the ACI layer, causing retardation or even the stagnation of the reaction front, also in good agreement with TEM observations. Lithiation at high temperatures (e.g. 1200 K) shows that Li insertion into c-SiNW results in an amorphous to crystalline phase transformation at Li : Si composition of ~4.2:1. In conclusion, our modeling results provide a comprehensive picture of the effects of reaction and diffusion-induced stress on the interfacial dynamics and mechanical degradation of SiNW anodes under chemo-mechanical lithiation.« less

Fabrication of n-ZnO/ p-Si (100) and n-ZnO:Al/ p-Si (100) Heterostructures and Study of Current-Voltage, Capacitance-Voltage and Room-Temperature Photoluminescence

NASA Astrophysics Data System (ADS)

Shah, M. A. H.; Khan, M. K. R.; Tanveer Karim, A. M. M.; Rahman, M. M.; Kamruzzaman, M.

2018-01-01

Heterojunction diodes of n-ZnO/ p-Si (100) and n-ZnO:Al/ p-Si (100) were fabricated by spray pyrolysis technique. X-ray diffraction (XRD), energy dispersive x-ray spectroscopy (EDX), and field emission scanning electron microscopy (FESEM) were used to characterize the as-prepared samples. The XRD pattern indicates the hexagonal wurzite structure of zinc oxide (ZnO) and Al-doped ZnO (AZO) thin films grown on Si (100) substrate. The compositional analysis by EDX indicates the presence of Al in the AZO structure. The FESEM image indicates the smooth and compact surface of the heterostructures. The current-voltage characteristics of the heterojunction confirm the rectifying diode behavior at different temperatures and illumination intensities. For low forward bias voltage, the ideality factors were determined to be 1.24 and 1.38 for un-doped and Al-doped heterostructures at room temperature (RT), respectively, which indicates the good diode characteristics. The capacitance-voltage response of the heterojunctions was studied for different oscillation frequencies. From the 1/ C 2- V plot, the junction built-in potentials were found 0.30 V and 0.40 V for un-doped and Al-doped junctions at RT, respectively. The differences in built-in potential for different heterojunctions indicate the different interface state densities of the junctions. From the RT photoluminescence (PL) spectrum of the n-ZnO/ p-Si (100) heterostructure, an intense main peak at near band edge (NBE) 378 nm (3.28 eV) and weak deep-level emissions (DLE) centered at 436 nm (2.84 eV) and 412 nm (3.00 eV) were observed. The NBE emission is attributed to the radiative recombination of the free and bound excitons and the DLE results from the radiative recombination through deep level defects.

Role of temperature in the formation and growth of gold monoatomic chains: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Cortes-Huerto, R.; Sondon, T.; Saúl, A.

2013-12-01

The effect of temperature on the formation and growth of monoatomic chains is investigated by extensive molecular dynamics simulations using a semiempirical potential based on the second-moment approximation to the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of ˜13 and a cross section of ˜1 nm2, are stretched at a rate of 3 m /s in the range of temperatures 5-600 K with 50 initial configurations per temperature. A detailed study on the probability to form monoatomic chains (MACs) is presented. Two domains are apparent in our simulations: one at T <100 K, where MACs develop from crystalline disorder at the constriction, and the other at T >100 K, where MACs form as a consequence of plastic deformation of the nanowire. Our results show that the average length of the formed MACs maximizes at T =150 K, which is supported by simple energy arguments.

Theoretical Investigations of Si-Ge Alloys in P42/ncm Phase: First-Principles Calculations

PubMed Central

Ma, Zhenyang; Liu, Xuhong; Yu, Xinhai; Shi, Chunlei; Yan, Fang

2017-01-01

The structural, mechanical, anisotropic, electronic and thermal properties of Si, Si0.667Ge0.333, Si0.333Ge0.667 and Ge in P42/ncm phase are investigated in this work. The calculations have been performed with an ultra-soft pseudopotential by using the generalized gradient approximation and local density approximation in the framework of density functional theory. The achieved results for the lattice constants and band gaps of P42/ncm-Si and P42/ncm-Ge in this research have good accordance with other results. The calculated elastic constants and elastic moduli of the Si, Si0.667Ge0.333, Si0.333Ge0.667 and Ge in P42/ncm phase are better than that of the Si, Si0.667Ge0.333, Si0.333Ge0.667 and Ge in P42/mnm phase. The Si, Si0.667Ge0.333, Si0.333Ge0.667 and Ge in P42/ncm phase exhibit varying degrees of mechanical anisotropic properties in Poisson’s ratio, shear modulus, Young’s modulus, and universal anisotropic index. The band structures of the Si, Si0.667Ge0.333, Si0.333Ge0.667 and Ge in P42/ncm phase show that they are all indirect band gap semiconductors with band gap of 1.46 eV, 1.25 eV, 1.36 eV and 1.00 eV, respectively. In addition, we also found that the minimum thermal conductivity κmin of the Si, Si0.667Ge0.333, Si0.333Ge0.667 and Ge in P42/ncm phase exhibit different degrees of anisotropic properties in (001), (010), (100) and (01¯0) planes. PMID:28772964

Analysis of SiO2 nanoparticles binding proteins in rat blood and brain homogenate.

PubMed

Shim, Kyu Hwan; Hulme, John; Maeng, Eun Ho; Kim, Meyoung-Kon; An, Seong Soo A

2014-01-01

A multitude of nanoparticles, such as titanium oxide (TiO2), zinc oxide, aluminum oxide, gold oxide, silver oxide, iron oxide, and silica oxide, are found in many chemical, cosmetic, pharmaceutical, and electronic products. Recently, SiO2 nanoparticles were shown to have an inert toxicity profile and no association with an irreversible toxicological change in animal models. Hence, exposure to SiO2 nanoparticles is on the increase. SiO2 nanoparticles are routinely used in numerous materials, from strengthening filler for concrete and other construction composites, to nontoxic platforms for biomedical application, such as drug delivery and theragnostics. On the other hand, recent in vitro experiments indicated that SiO2 nanoparticles were cytotoxic. Therefore, we investigated these nanoparticles to identify potentially toxic pathways by analyzing the adsorbed protein corona on the surface of SiO2 nanoparticles in the blood and brain of the rat. Four types of SiO2 nanoparticles were chosen for investigation, and the protein corona of each type was analyzed using liquid chromatography-tandem mass spectrometry technology. In total, 115 and 48 plasma proteins from the rat were identified as being bound to negatively charged 20 nm and 100 nm SiO2 nanoparticles, respectively, and 50 and 36 proteins were found for 20 nm and 100 nm arginine-coated SiO2 nanoparticles, respectively. Higher numbers of proteins were adsorbed onto the 20 nm sized SiO2 nanoparticles than onto the 100 nm sized nanoparticles regardless of charge. When proteins were compared between the two charges, higher numbers of proteins were found for arginine-coated positively charged SiO2 nanoparticles than for the negatively charged nanoparticles. The proteins identified as bound in the corona from SiO2 nanoparticles were further analyzed with ClueGO, a Cytoscape plugin used in protein ontology and for identifying biological interaction pathways. Proteins bound on the surface of nanoparticles may affect functional and conformational properties and distributions in complicated biological processes.

A FEATURE MOVIE OF SiO EMISSION 20-100 AU FROM THE MASSIVE YOUNG STELLAR OBJECT ORION SOURCE I

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matthews, L. D.; Greenhill, L. J.; Goddi, C.

2010-01-01

We present multi-epoch Very Long Baseline Array imaging of the {sup 28}SiO v = 1 and v = 2, J = 1-0 maser emission toward the massive young stellar object (YSO) Orion Source I. Both SiO transitions were observed simultaneously with an angular resolution of approx0.5 mas (approx0.2 AU for d = 414 pc) and a spectral resolution of approx0.2 km s{sup -1}. Here we explore the global properties and kinematics of the emission through two 19-epoch animated movies spanning 21 months (from 2001 March 19 to 2002 December 10). These movies provide the most detailed view to date ofmore » the dynamics and temporal evolution of molecular material within approx20-100 AU of a massive (approx>8 M{sub sun}) YSO. As in previous studies, we find that the bulk of the SiO masers surrounding Source I lie in an X-shaped locus; the emission in the south and east arms is predominantly blueshifted, and emission in the north and west is predominantly redshifted. In addition, bridges of intermediate-velocity emission are observed connecting the red and blue sides of the emission distribution. We have measured proper motions of over 1000 individual maser features and found that these motions are characterized by a combination of radially outward migrations along the four main maser-emitting arms and motions tangent to the intermediate-velocity bridges. We interpret the SiO masers as arising from a wide-angle bipolar wind emanating from a rotating, edge-on disk. The detection of maser features along extended, curved filaments suggests that magnetic fields may play a role in launching and/or shaping the wind. Our observations appear to support a picture in which stars with masses as high as at least 8 M{sub sun} form via disk-mediated accretion. However, we cannot yet rule out that the Source I disk may have been formed or altered following a recent close encounter.« less

Influence of the size and charge of gold nanoclusters on complexation with siRNA: a molecular dynamics simulation study.

PubMed

Mudedla, Sathish Kumar; Azhagiya Singam, Ettayapuram Ramaprasad; Balamurugan, Kanagasabai; Subramanian, Venkatesan

2015-11-11

The complexation of small interfering RNA (siRNA) with positively charged gold nanoclusters has been studied in the present investigation with the help of classical molecular dynamics and steered molecular dynamics simulations accompanied by free energy calculations. The results show that gold nanoclusters form a stable complex with siRNA. The wrapping of siRNA around the gold nanocluster depends on the size and charge on the surface of the gold cluster. The binding pattern of the gold nanocluster with siRNA is also influenced by the presence of another cluster. The interaction between the positively charged amines in the gold nanocluster and the negatively charged phosphate group in the siRNA is responsible for the formation of complexes. The binding free energy value increases with the size of the gold cluster and the number of positive charges present on the surface of the gold nanocluster. The results reveal that the binding energy of small gold nanoclusters increases in the presence of another gold nanocluster while the binding of large gold nanoclusters decreases due to the introduction of another gold nanocluster. Overall, the findings have clearly demonstrated the effect of size and charge of gold nanoclusters on their interaction pattern with siRNA.

Narrow bandgap semiconducting silicides: Intrinsic infrared detectors on a silicon chip

NASA Technical Reports Server (NTRS)

Mahan, John E.

1990-01-01

Work done during the final report period is presented. The main technical objective was to achieve epitaxial growth on silicon of two semiconducting silicides, ReSi2 and CrSi2. ReSi2 thin films were grown on (001) silicon wafers by vacuum evaporation of rhenium onto hot substrates in ultrahigh vacuum. The preferred epitaxial relationship was found to be ReSi2(100)/Si(001) with ReSi2(010) parallel to Si(110). The lattice matching consists of a common unit mesh of 120 A(sup 2) area, and a mismatch of 1.8 percent. Transmission electron microscopy revealed the existence of rotation twins corresponding to two distinct but equivalent azimuthal orientations of the common unit mesh. MeV He(+) backscattering spectrometry revealed a minimum channeling yield of 2 percent for an approximately 1,500 A thick film grown at 650 C. Although the lateral dimension of the twins is on the order of 100 A, there is a very high degree of alignment between the ReSi2(100) and the Si(001) planes. Highly oriented films of CrSi2 were grown on (111) silicon substrates, with the matching crystallographic faces being CrSi2(001)/Si(111). The reflection high-energy electron diffraction (RHEED) patterns of the films consist of sharp streaks, symmetrically arranged. The predominant azimuthal orientation of the films was determined to be CrSi2(210) parallel to Si(110). This highly desirable heteroepitaxial relationship has been obtained previously by others; it may be described with a common unit mesh of 51 A(sup 2) and mismatch of 0.3 percent. RHEED also revealed the presence of limited film regions of a competing azimuthal orientation, CrSi2(110) parallel to Si(110). A channeling effect for MeV He(+) ions was not found for this material. Potential commercial applications of this research may be found in silicon-integrated infrared detector arrays. Optical characterizations showed that semiconducting ReSi2 is a strong absorber of infrared radiation, with the adsorption constant increasing above 2 x 10(exp 4) cm(sup -1) for photon energies above 0.2 eV. CrSi2 is of potential utility for detection at photon energies above approximately 0.3 eV.

Kinetics of SiHCl3 chemical vapor deposition and fluid dynamic simulations.

PubMed

Cavallotti, Carlo; Masi, Maurizio

2011-09-01

Though most of the current silicon photovoltaic technology relies on trichlorosilane (SiHCl3) as a precursor gas to deposit Si, only a few studies have been devoted to the investigation of its gas phase and surface kinetics. In the present work we propose a new kinetic mechanism apt to describe the gas phase and surface chemistry active during the deposition of Si from SiHCl3. Kinetic constants of key reactions were either taken from the literature or determined through ab initio calculations. The capability of the mechanism to reproduce experimental data was tested through the implementation of the kinetic scheme in a fluid dynamic model and in the simulation of both deposition and etching of Si in horizontal reactors. The results of the simulations show that the reactivity of HCl is of key importance in order to control the Si deposition rate. When HCl reaches a critical concentration in the gas phase it starts etching the Si surface, so that the net deposition rate is the net sum of the adsorption rate of the gas phase precursors and the etching rate due to HCl. In these conditions the possibility to further deposit Si is directly related to the rate of consumption of HCl through its reaction with SiHCl3 to give SiCl4. The proposed reaction mechanism was implemented in a 3D fluid dynamic model of a simple Siemens reactor. The simulation results indicate that the proposed interpretation of the growth process applies also to this class of reactors, which operate in what can be defined as a mixed kinetic-transport controlled regime.

Ultralow 1/f Noise in a Heterostructure of Superconducting Epitaxial Cobalt Disilicide Thin Film on Silicon.

PubMed

Chiu, Shao-Pin; Yeh, Sheng-Shiuan; Chiou, Chien-Jyun; Chou, Yi-Chia; Lin, Juhn-Jong; Tsuei, Chang-Chyi

2017-01-24

High-precision resistance noise measurements indicate that the epitaxial CoSi 2 /Si heterostructures at 150 and 2 K (slightly above its superconducting transition temperature T c of 1.54 K) exhibit an unusually low 1/f noise level in the frequency range of 0.008-0.2 Hz. This corresponds to an upper limit of Hooge constant γ ≤ 3 × 10 -6 , about 100 times lower than that of single-crystalline aluminum films on SiO 2 capped Si substrates. Supported by high-resolution cross-sectional transmission electron microscopy studies, our analysis reveals that the 1/f noise is dominated by excess interfacial Si atoms and their dimer reconstruction induced fluctuators. Unbonded orbitals (i.e., dangling bonds) on excess Si atoms are intrinsically rare at the epitaxial CoSi 2 /Si(100) interface, giving limited trapping-detrapping centers for localized charges. With its excellent normal-state properties, CoSi 2 has been used in silicon-based integrated circuits for decades. The intrinsically low noise properties discovered in this work could be utilized for developing quiet qubits and scalable superconducting circuits for future quantum computing.

The mixing mechanism during lithiation of Si negative electrode in Li-ion batteries: an ab initio molecular dynamics study.

PubMed

Johari, Priya; Qi, Yue; Shenoy, Vivek B

2011-12-14

In order to realize Si as a negative electrode material in commercial Li-ion batteries, it is important to understand the mixing mechanism of Li and Si, and stress evolution during lithiation in Si negative electrode of Li-ion batteries. Available experiments mainly provide the diffusivity of Li in Si as an averaged property, neglecting information regarding diffusivity of Si. However, if Si can diffuse as fast as Li, the stress generated during Li diffusion can be reduced. We, therefore, studied the diffusivity of Li as well as Si atoms in the Si-anode of Li-ion battery using an ab initio molecular dynamics-based methodology. The electrochemical insertion of Li into crystalline Si prompts a crystalline-to-amorphous phase transition. We considered this situation and thus examined the diffusion kinetics of Li and Si atoms in both crystalline and amorphous Si. We find that Li diffuses faster in amorphous Si as compared to crystalline Si, while Si remains relatively immobile in both cases and generates stresses during lithiation. To further understand the mixing mechanism and to relate the structure with electrochemical mixing, we analyzed the evolution of the structure during lithiation and studied the mechanism of breaking of Si-Si network by Li. We find that Li atoms break the Si rings and chains and create ephemeral structures such as stars and boomerangs, which eventually transform to Si-Si dumbbells and isolated Si atoms in the LiSi phase. Our results are found to be in agreement with the available experimental data and provide insights into the mixing mechanism of Li and Si in Si negative electrode of Li-ion batteries.

Improvement of desolvation and resilience of alginate binders for Si-based anodes in a lithium ion battery by calcium-mediated cross-linking.

PubMed

Yoon, Jihee; Oh, Dongyeop X; Jo, Changshin; Lee, Jinwoo; Hwang, Dong Soo

2014-12-14

Si-based anodes in lithium ion batteries (LIBs) have exceptionally high theoretical capacity, but the use of a Si-based anode in LIBs is problematic because the charging-discharging process can fracture the Si particles. Alginate and its derivatives show promise as Si particle binders in the anode. We show that calcium-mediated "egg-box" electrostatic cross-linking of alginate improves toughness, resilience, electrolyte desolvation of the alginate binder as a Si-binder for LIBs. Consequently, the improved mechanical properties of the calcium alginate binder compared to the sodium alginate binder and other commercial binders extend the lifetime and increase the capacity of Si-based anodes in LIBs.

Breakway friction and dynamic friction/wear measurements of various ceramic materials from 25 C (75 F) to 650 C (1200 F)

NASA Technical Reports Server (NTRS)

Boes, D. J.

1984-01-01

This report describes the results of a program designed to evaluate the breakaway friction and dynamic friction/wear characteristics of materials having potential for use as load bearing components in a high-performance high-temperature heavy duty diesel engine. Ten candidate materials were selected, six of which were evaluated under all possible material combinations as both stationary as well as moving breakaway specimens. The remaining materials were evaluated either in the static mode against themselves and all other materials, or against themselves only. Experiments were performed at five temperatures up to 650 C (1200 F) and unit pressures of 700 kPa (100 lb/sq in.), 3500 kPa (500 lb/sq in.), and 7000 kPa (1000 lb/sq in.). Experimental results indicate that under dynamic conditions, four of the ten materials exhibited good to excellent friction/wear characteristics in various material combinations. These materials were: titanium carbide, silicon nitride, silicon carbide (reaction sintered), and Refel (SiC).

Dimensional stability and anisotropy of SiC and SiC-based composites in transition swelling regime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Katoh, Yutai; Koyanagi, Takaaki; McDuffee, Joel L.

Swelling, or volumetric expansion, is an inevitable consequence of the atomic displacement damage in crystalline silicon carbide (SiC) caused by energetic neutron irradiation. Because of its steep temperature and dose dependence, understanding swelling is essential for designing SiC-based components for nuclear applications. Here in this study, swelling behaviors of monolithic CVD SiC and nuclear grade SiC fiber – SiC matrix (SiC/SiC) composites were accurately determined, supported by the irradiation temperature determination for individual samples, following neutron irradiation within the lower transition swelling temperature regime. Slightly anisotropic swelling behaviors were found for the SiC/SiC samples and attributed primarily to the combinedmore » effects of the pre-existing microcracking, fiber architecture, and specimen dimension. A semi-empirical model of SiC swelling was calibrated and presented. Finally, implications of the refined model to selected swelling-related issues for SiC-based nuclar reactor components are discussed.« less

Dimensional stability and anisotropy of SiC and SiC-based composites in transition swelling regime

DOE PAGES

Katoh, Yutai; Koyanagi, Takaaki; McDuffee, Joel L.; ...

2017-12-08

Swelling, or volumetric expansion, is an inevitable consequence of the atomic displacement damage in crystalline silicon carbide (SiC) caused by energetic neutron irradiation. Because of its steep temperature and dose dependence, understanding swelling is essential for designing SiC-based components for nuclear applications. Here in this study, swelling behaviors of monolithic CVD SiC and nuclear grade SiC fiber – SiC matrix (SiC/SiC) composites were accurately determined, supported by the irradiation temperature determination for individual samples, following neutron irradiation within the lower transition swelling temperature regime. Slightly anisotropic swelling behaviors were found for the SiC/SiC samples and attributed primarily to the combinedmore » effects of the pre-existing microcracking, fiber architecture, and specimen dimension. A semi-empirical model of SiC swelling was calibrated and presented. Finally, implications of the refined model to selected swelling-related issues for SiC-based nuclar reactor components are discussed.« less

Ab initio molecular dynamics simulation of the effects of stacking faults on the radiation response of 3C-SiC

PubMed Central

Jiang, M.; Peng, S. M.; Zhang, H. B.; Xu, C. H.; Xiao, H. Y.; Zhao, F. A.; Liu, Z. J.; Zu, X. T.

2016-01-01

In this study, an ab initio molecular dynamics method is employed to investigate how the existence of stacking faults (SFs) influences the response of SiC to low energy irradiation. It reveals that the C and Si atoms around the SFs are generally more difficult to be displaced than those in unfaulted SiC, and the corresponding threshold displacement energies for them are generally larger, indicative of enhanced radiation tolerance caused by the introduction of SFs, which agrees well with the recent experiment. As compared with the unfaulted state, more localized point defects are generated in faulted SiC. Also, the efficiency of damage production for Si recoils is generally higher than that of C recoils. The calculated potential energy increases for defect generation in SiC with intrinsic and extrinsic SFs are found to be higher than those in unfaulted SiC, due to the stronger screen-Coulomb interaction between the PKA and its neighbors. The presented results provide a fundamental insight into the underlying mechanism of displacement events in faulted SiC and will help to advance the understanding of the radiation response of SiC with and without SFs. PMID:26880027

Theoretical Prediction of Si 2–Si 33 Absorption Spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Li -Zhen; Lu, Wen -Cai; Qin, Wei

Here, the optical absorption spectra of Si 2–Si 33 clusters were systematically studied by a time-dependent density functional theory approach. The calculations revealed that the absorption spectrum becomes significantly broad with increasing cluster size, stretching from ultraviolet to the infrared region. The absorption spectra are closely related to the structural motifs. With increasing cluster size, the absorption intensity of cage structures gradually increases, but the absorption curves of the prolate and the Y-shaped structures are very sensitive to cluster size. If the transition energy reaches ~12 eV, it is noted that all the clusters have remarkable absorption in deep ultravioletmore » region of 100–200 nm, and the maximum absorption intensity is ~100 times that in the visible region. Further, the optical responses to doping in the Si clusters were studied.« less

Orientation effect on microwave dielectric properties of Si-integrated Ba0.6Sr0.4TiO3 thin films for frequency agile devices

NASA Astrophysics Data System (ADS)

Kim, Hyun-Suk; Hyun, Tae-Seon; Kim, Ho-Gi; Kim, Il-Doo; Yun, Tae-Soon; Lee, Jong-Chul

2006-07-01

The effect of texture with (100) and (110) preferred orientations on dielectric properties of Ba0.6Sr0.4TiO3 (BST) thin films grown on SrO (9nm) and CeO2 (70nm ) buffered Si substrates, respectively, was investigated. The coplanar waveguide (CPW) phase shifter using (100) oriented BST films on SrO buffered Si exhibited a much-enhanced figure of merit of 24.7°/dB, as compared to that (10.2°/dB) of a CPW phase shifter using (110) oriented BST films on CeO2 buffered Si at 12GHz. This work demonstrates that the microwave properties of the Si-integrated BST thin films are highly correlated with crystal orientation.

Theoretical Prediction of Si 2–Si 33 Absorption Spectra

DOE PAGES

Zhao, Li -Zhen; Lu, Wen -Cai; Qin, Wei; ...

2017-07-07

Here, the optical absorption spectra of Si 2–Si 33 clusters were systematically studied by a time-dependent density functional theory approach. The calculations revealed that the absorption spectrum becomes significantly broad with increasing cluster size, stretching from ultraviolet to the infrared region. The absorption spectra are closely related to the structural motifs. With increasing cluster size, the absorption intensity of cage structures gradually increases, but the absorption curves of the prolate and the Y-shaped structures are very sensitive to cluster size. If the transition energy reaches ~12 eV, it is noted that all the clusters have remarkable absorption in deep ultravioletmore » region of 100–200 nm, and the maximum absorption intensity is ~100 times that in the visible region. Further, the optical responses to doping in the Si clusters were studied.« less

Growth of single-crystalline cobalt silicide nanowires and their field emission property.

PubMed

Lu, Chi-Ming; Hsu, Han-Fu; Lu, Kuo-Chang

2013-07-03

In this work, cobalt silicide nanowires were synthesized by chemical vapor deposition processes on Si (100) substrates with anhydrous cobalt chloride (CoCl2) as precursors. Processing parameters, including the temperature of Si (100) substrates, the gas flow rate, and the pressure of reactions were varied and studied; additionally, the physical properties of the cobalt silicide nanowires were measured. It was found that single-crystal CoSi nanowires were grown at 850°C ~ 880°C and at a lower gas flow rate, while single-crystal Co2Si nanowires were grown at 880°C ~ 900°C. The crystal structure and growth direction were identified, and the growth mechanism was proposed as well. This study with field emission measurements demonstrates that CoSi nanowires are attractive choices for future applications in field emitters.

Interaction of phosphine with Si(100) from core-level photoemission and real-time scanning tunneling microscopy

NASA Astrophysics Data System (ADS)

Lin, Deng-Sung; Ku, Tsai-Shuan; Chen, Ru-Ping

2000-01-01

In this paper, we investigate the interaction of phosphine (PH3) on the Si(100)-2×1 surface at temperatures between 635 and 900 K. The hydrogen desorption, growth mode, surface morphology, and chemical composition and ordering of the surface layer are examined by synchrotron radiation core-level photoemission and real-time high-temperature scanning tunneling microscopy. The P 2p core-level spectra indicate that decomposition of PHn is complete above ~550 K and the maximum P coverage is strongly influenced by the growth temperature, which governs the coverage of H-terminated sites. The scanning tunneling microscopy (STM) images taken at real time during PH3 exposure indicate that a surface phosphorus atom readily and randomly displaces one Si atom from the substrate. The ejected Si diffuses, nucleates, and incorporates itself into islands or step edges, leading to similar growth behavior as that found in Si chemical vapor deposition. Line defects both perpendicular and parallel to the dimer rows are observed on the nearly P-saturated surface. Perpendicular line defects act as a strain relief mechanism. Parallel line defects result from growth kinetics. STM images also indicate that incorporating a small amount of phosphorus eliminates the line defects in the Si(100)-2×n surface.

Orientation control of barium titanate films using metal oxide nanosheet layer

NASA Astrophysics Data System (ADS)

Uchida, Hiroshi; Oi, Tomotake; Noguchi, Keito; Moki, Shota; Kim, Jin Woon; Shima, Hiromi; Nishida, Ken; Kiguchi, Takanori; Akama, Akihiko; Konno, Toyohiko J.; Funakubo, Hiroshi

2016-10-01

In the present work, we aim to achieve the preferred crystal orientation of chemical solution deposition (CSD)-derived BaTiO3 films on ubiquitous Si wafers with the assistance of Ca2Nb3O10 nanosheet (ns-CN) template layers. The ns-CN on platinized Si (Pt/Si) substrates aligned the BaTiO3(100) plane to the substrate surface, because of the favorable lattice matching of the ns-CN (001) plane. The CSD process in air required a high crystallization temperature of 900 °C for the preferred crystal orientation of BaTiO3(100) because of the BaCO3 byproduct generated during the combustion reaction of the precursor gel. The processing in vacuum to remove CO2 species enhanced the crystal orientation even at the crystallization temperature of 800 °C, although it can generate oxygen vacancies (\\text{V}\\text{O}{} \\bullet \\bullet ) that cause distorted polarization behavior under an applied field higher than approximately 150 kV/cm. The relative dielectric constant (εr) of the (100)-oriented BaTiO3 film on the ns-CN-supported Pt/Si substrate (ns-CN/Pt/Si) was generally larger than that of the randomly oriented film on Pt/Si, depending on the degree of crystal orientation.

Missing dimer defects investigated by adsorption of nitric oxide (NO) on silicon (100) 2 × 1

NASA Astrophysics Data System (ADS)

Sasse, A. G. B. M.; Kleinherenbrink, P. M.; Van Silfhout, A.

This paper describes a study concerning the interaction of nitric oxide (NO) with the clean Si(100)2×1 surface in ultra-high vacuum at room temperature. Differential reflectometry (DR) in the photon energy range of 2.4-4.4 eV. Auger electron spectroscopy (AES) and low energy electron diffraction (LEED) have been used to investigate the chemisorption of NO on Si(100)2×1. With this combination of techniques it is possible to make an analysis of the geometric and electronic structure and chemical composition of the surface layer. The aim of the present study was to explain the experimental results of the adsorption of NO on the clean Si(100)2×1 at 300 K. Analysing the electronic and geometric structure of a simplified stepped 2×1 reconstructed Si(100) surface and of the NO molecule in combination with the use of Woodward-Hoffmann rules (WHR) we were able to model a surface defect specific adsorption mechanism. Surface defects such as missing dimer defects seem to play an important role in the adsorption mechanism of NO on the silicon surface. The experimental results are consistent with this developed model. We also suggest a relation between the missing dimer defects and the number of steps on the silicon surface.

Process dependent morphology of the Si/SiO2 interface measured with scanning tunneling microscopy

NASA Technical Reports Server (NTRS)

Hecht, Michael H.; Bell, L. D.; Grunthaner, F. J.; Kaiser, W. J.

1988-01-01

A new experimental technique to determine Si/SiO2 interface morphology is described. Thermal oxides of silicon are chemically removed, and the resulting surface topography is measured with scanning tunneling microscopy. Interfaces prepared by oxidation of Si (100) and (111) surfaces, followed by postoxidation anneal (POA) at different temperatures, have been characterized. Correlations between interface structure, chemistry, and electrical characteristics are described.

A high-resolving-power x-ray spectrometer for the OMEGA EP Laser (invited)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nilson, P. M., E-mail: pnil@lle.rochester.edu; Ehrne, F.; Mileham, C.

A high-resolving-power x-ray spectrometer has been developed for the OMEGA EP Laser System based on a spherically bent Si [220] crystal with a radius of curvature of 330 mm and a Spectral Instruments (SI) 800 Series charge-coupled device. The instrument measures time-integrated x-ray emission spectra in the 7.97- to 8.11-keV range, centered on the Cu K{sub α1} line. To demonstrate the performance of the spectrometer under high-power conditions, K{sub α1,2} emission spectra were measured from Cu foils irradiated by the OMEGA EP laser with 100-J, 1-ps pulses at focused intensities above 10{sup 18} W/cm{sup 2}. The ultimate goal is tomore » couple the spectrometer to a picosecond x-ray streak camera and measure temperature-equilibration dynamics inside rapidly heated materials. The plan for these ultrafast streaked x-ray spectroscopy studies is discussed.« less

Studies of Water Diffusion on Single-Supported Bilayer Lipid Membranes by Quasielastic Neutron Scattering

NASA Astrophysics Data System (ADS)

Bai, M.; Miskowiec, A.; Wang, S.-K.; Taub, H.; Jenkins, T.; Tyagi, M.; Neumann, D. A.; Hansen, F. Y.

2010-03-01

Bilayer lipid membranes supported on a solid surface are attractive model systems for understanding the structure and dynamics of more complex biological membranes that form the outer boundary of living cells. We have recently demonstrated the feasibility of using quasielastic neutron scattering to study on a ˜1 ns time scale the diffusion of water bound to single-supported bilayer lipid membranes. Two different membrane samples characterized by AFM were investigated: protonated DMPC + D2O and tail-deuterated DMPC + H2O. Both fully hydrated membranes were deposited onto SiO2-coated Si(100) substrates. Measurements of elastic neutron intensity as a function of temperature on the High Flux Backscattering Spectrometer at NIST reveal features in the diffusive motion of water that have not been observed previously using multilayer membrane stacks. On slow cooling, the elastic intensity shows sharp step-like increases in the temperature range 265 to 272 K that we tentatively interpret as successive mobile-to-immobile transitions of water bound to the membrane.

Studies of molecular diffusion in single-supported bilayer lipid membranes at high hydration by quasielastic neutron scattering

NASA Astrophysics Data System (ADS)

Bai, M.; Miskowiec, A.; Wang, S.-K.; Taub, H.; Hansen, F. Y.; Jenkins, T.; Tyagi, M.; Neumann, D. A.; Diallo, S. O.; Mamontov, E.; Herwig, K. W.

2011-03-01

Bilayer lipid membranes supported on a solid surface are attractive model systems for understanding the structure and dynamics of more complex biological membranes that form the outer boundary of living cells. We have recently obtained quasielastic neutron spectra from single-supported bilayer lipid membranes using the backscattering spectrometer BASIS at the Spallation Neutron Source. Protonated DMPC membranes were deposited onto Si O2 -coated Si(100) substrates and characterized by AFM. Analysis of their neutron spectra shows evidence of a relatively broad Lorentzian component that we associate with bulk-like water above a freezing temperature of ~ 267 K. At lower temperatures, the spectra differ qualitatively from that of bulk supercooled water, a behavior that we attribute to water bound to the membrane. We also find evidence of a narrow Lorentzian component that we tentatively identify with a slower motion (time scale ~ 1 ns) associated with conformational changes of the alkyl tails of the lipid molecules. Supported by NSF Grant No. DMR-0705974.

Structural, dynamic, and vibrational properties during heat transfer in Si/Ge superlattices: A Car-Parrinello molecular dynamics study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ji, Pengfei; Zhang, Yuwen, E-mail: zhangyu@missouri.edu; Yang, Mo

The structural, dynamic, and vibrational properties during heat transfer process in Si/Ge superlattices are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean square displacements are calculated and further discussions are made to explain and probe the structural changes relating to the heat transfer phenomenon. Furthermore, the vibrational density of states of the two layers (Si/Ge) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heatmore » transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quantum mechanical molecular dynamics simulation perspective.« less

The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si

DOE PAGES

Wallace, J. B.; Aji, L. B. Bayu; Martin, A. A.; ...

2017-01-06

The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10–0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV andmore » 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.« less

The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallace, J. B.; Aji, L. B. Bayu; Martin, A. A.

The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10–0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV andmore » 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.« less

Structural, dynamic, and vibrational properties during heat transfer in Si/Ge superlattices: A Car-Parrinello molecular dynamics study

NASA Astrophysics Data System (ADS)

Ji, Pengfei; Zhang, Yuwen; Yang, Mo

2013-12-01

The structural, dynamic, and vibrational properties during heat transfer process in Si/Ge superlattices are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean square displacements are calculated and further discussions are made to explain and probe the structural changes relating to the heat transfer phenomenon. Furthermore, the vibrational density of states of the two layers (Si/Ge) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heat transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quantum mechanical molecular dynamics simulation perspective.

The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si

NASA Astrophysics Data System (ADS)

Wallace, J. B.; Aji, L. B. Bayu; Martin, A. A.; Shin, S. J.; Shao, L.; Kucheyev, S. O.

2017-01-01

The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10-0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV and 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.

Preparation of a Si/SiO2 -Ordered-Mesoporous-Carbon Nanocomposite as an Anode for High-Performance Lithium-Ion and Sodium-Ion Batteries.

PubMed

Zeng, Lingxing; Liu, Renpin; Han, Lei; Luo, Fenqiang; Chen, Xi; Wang, Jianbiao; Qian, Qingrong; Chen, Qinghua; Wei, Mingdeng

2018-04-03

In this work, an Si/SiO 2 -ordered-mesoporous carbon (Si/SiO 2 -OMC) nanocomposite was initially fabricated through a magnesiothermic reduction strategy by using a two-dimensional bicontinuous mesochannel of SiO 2 -OMC as a precursor, combined with an NaOH etching process, in which crystal Si/amorphous SiO 2 nanoparticles were encapsulated into the OMC matrix. Not only can such unique porous crystal Si/amorphous SiO 2 nanoparticles uniformly dispersed in the OMC matrix mitigate the volume change of active materials during the cycling process, but they can also improve electrical conductivity of Si/SiO 2 and facilitate the Li + /Na + diffusion. When applied as an anode for lithium-ion batteries (LIBs), the Si/SiO 2 -OMC composite displayed superior reversible capacity (958 mA h g -1 at 0.2 A g -1 after 100 cycles) and good cycling life (retaining a capacity of 459 mA h g -1 at 2 A g -1 after 1000 cycles). For sodium-ion batteries (SIBs), the composite maintained a high capacity of 423 mA h g -1 after 100 cycles at 0.05 A g -1 and an extremely stable reversible capacity of 190 mA h g -1 was retained even after 500 cycles at 1 A g -1 . This performance is one of the best long-term cycling properties of Si-based SIB anode materials. The Si/SiO 2 -OMC composites exhibited great potential as an alternative material for both lithium- and sodium-ion battery anodes. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A study of metal-ceramic wettability in SiC-Al using dynamic melt infiltration of SiC

NASA Technical Reports Server (NTRS)

Asthana, R.; Rohatgi, P. K.

1993-01-01

Pressure-assisted infiltration with a 2014 Al alloy of plain and Cu-coated single crystal platelets of alpha silicon carbide was used to study particulate wettability under dynamic conditions relevant to pressure casting of metal-matrix composites. The total penetration length of infiltrant metal in porous compacts was measured at the conclusion of solidification as a function of pressure, infiltration time, and SiC size for both plain and Cu-coated SiC. The experimental data were analyzed to obtain a threshold pressure for the effect of melt intrusion through SiC compacts. The threshold pressure was taken either directly as a measure of wettability or converted to an effective wetting angle using the Young-Laplace capillary equation. Cu coating resulted in partial but beneficial improvements in wettability as a result of its dissolution in the melt, compared to uncoated SiC.

Effects of silencing S100A8 and S100A9 with small interfering RNA on the migration of CNE1 nasopharyngeal carcinoma cells.

PubMed

Yan, Lin-Lin; Huang, Yuan-Jiao; Yi, Xiang; Yan, Xue-Min; Cai, Yan; He, Qin; Han, Zi-Jian

2015-06-01

The calcium-binding S100 proteins are involved in functions such as cell growth, differentiation, migration, adhesion and signal transduction. S100A8 and S100A9 are highly expressed in a variety of tumor cells, and are implicated in tumor development and progression. However, the role of S100A8 and S100A9 in nasopharyngeal carcinoma (NPC) cell migration is unclear. The present study investigated the effect of S100A8 and S100A9 on migration using a NPC cell line, CNE1. The CNE1 cells were transfected with S100A8 or S100A9 small interfering RNA (siRNA). Reverse transcription-quantitative polymerase chain reaction (RT-qPCR) was used to detect S100A8 and S100A9 gene expression. Following the downregulation of S100A8 or S100A9, the effects on cell migration were determined using wound-healing assays. The expression of matrix metalloproteinase-7 (MMP7), a member of the MMP family that is associated with tumor cell invasion and migration, was also detected by RT-qPCR. S100A8 and S100A9 siRNAs effectively suppressed S100A8 and S100A9 gene expression, and substantially inhibited the migration of the CNE1 cells. In addition, MMP7 expression was reduced to varying extents in S100A8 and S100A9 siRNA-treated cells compared with controls. Thus, S100A8 and S100A9 promoted the migration of CNE1 NPC cells.

Effects of silencing S100A8 and S100A9 with small interfering RNA on the migration of CNE1 nasopharyngeal carcinoma cells

PubMed Central

YAN, LIN-LIN; HUANG, YUAN-JIAO; YI, XIANG; YAN, XUE-MIN; CAI, YAN; HE, QIN; HAN, ZI-JIAN

2015-01-01

The calcium-binding S100 proteins are involved in functions such as cell growth, differentiation, migration, adhesion and signal transduction. S100A8 and S100A9 are highly expressed in a variety of tumor cells, and are implicated in tumor development and progression. However, the role of S100A8 and S100A9 in nasopharyngeal carcinoma (NPC) cell migration is unclear. The present study investigated the effect of S100A8 and S100A9 on migration using a NPC cell line, CNE1. The CNE1 cells were transfected with S100A8 or S100A9 small interfering RNA (siRNA). Reverse transcription-quantitative polymerase chain reaction (RT-qPCR) was used to detect S100A8 and S100A9 gene expression. Following the downregulation of S100A8 or S100A9, the effects on cell migration were determined using wound-healing assays. The expression of matrix metalloproteinase-7 (MMP7), a member of the MMP family that is associated with tumor cell invasion and migration, was also detected by RT-qPCR. S100A8 and S100A9 siRNAs effectively suppressed S100A8 and S100A9 gene expression, and substantially inhibited the migration of the CNE1 cells. In addition, MMP7 expression was reduced to varying extents in S100A8 and S100A9 siRNA-treated cells compared with controls. Thus, S100A8 and S100A9 promoted the migration of CNE1 NPC cells. PMID:26137102

Molecular dynamics simulation of salt rejection through silicon carbide nanotubes as a nanostructure membrane.

PubMed

Khataee, Alireza; Bayat, Golchehreh; Azamat, Jafar

2017-01-01

Salt rejection phenomenon was investigated using armchair silicon carbide (SiC) nanotubes under applied electric fields. The systems included the (7,7) and (8,8) SiC nanotubes surrounded by silicon nitride membrane immersed in a 0.4mol/L aqueous solution of sodium chloride. Results of molecular dynamics (MD) simulations for selective separation of Na + and Cl - ions showed that the (7,7) SiC nanotube is suitable for separation of cations and the (8,8) SiC nanotube can be used for separating anions. The water desalination by SiC nanotubes was demonstrated by potential of mean force for Na + and Cl - ions in each SiC nanotube. Furthermore, the ionic current, ion residence time, and the radial distribution functions of species were measured to evaluate the properties of the system. Based on the results of this research, the studied SiC nanotubes can be recommended as a nanostructure model for water desalination. Copyright © 2016 Elsevier Inc. All rights reserved.

Universality of the helimagnetic transition in cubic chiral magnets: Small angle neutron scattering and neutron spin echo spectroscopy studies of FeCoSi

NASA Astrophysics Data System (ADS)

Bannenberg, L. J.; Kakurai, K.; Falus, P.; Lelièvre-Berna, E.; Dalgliesh, R.; Dewhurst, C. D.; Qian, F.; Onose, Y.; Endoh, Y.; Tokura, Y.; Pappas, C.

2017-04-01

We present a comprehensive small angle neutron scattering and neutron spin echo spectroscopy study of the structural and dynamical aspects of the helimagnetic transition in Fe1 -xCoxSi with x =0.30 . In contrast to the sharp transition observed in the archetype chiral magnet MnSi, the transition in Fe1 -xCoxSi is gradual, and long-range helimagnetic ordering coexists with short-range correlations over a wide temperature range. The dynamics are more complex than in MnSi and involve long relaxation times with a stretched exponential relaxation which persists even under magnetic field. These results in conjunction with an analysis of the hierarchy of the relevant length scales show that the helimagnetic transition in Fe1 -xCoxSi differs substantially from the transition in MnSi and question the validity of a universal approach to the helimagnetic transition in chiral magnets.

Fast Li-Ion Transport in Amorphous Li 2Si 2O 5: An Ab Initio Molecular Dynamics Simulation

DOE PAGES

Lei, Xueling; Wang, Jie; Huang, Kevin

2016-05-03

The present study reports an ab-initio molecular dynamics (AIMD) simulation of ionic diffusion in the amorphous Li 2Si 2O 5 in a temperature range of 573–823 K. The results show that the amorphous Li 2Si 2O 5 is primarily a Li + conductor with negligible O 2- and Si 4+ contributions. The obtained activation energy of 0.47 eV for Li + diffusion is higher than Na + in the analogue amorphous Na 2Si 2O 5, but close to other types of Li + conductors. The predicted Li + conductivity is on the order of 10 -2 S·cm -1 at 623–823more » K. Our simulations also reveal that Li + in the amorphous Li 2Si 2O 5 diffuses via a hopping mechanism between the nearest sites in the channels formed by two adjacent SiO 4 layers.« less

Experimental Study on Dynamic Mechanical Properties of 30CrMnSiNi2A Steel.

NASA Astrophysics Data System (ADS)

Huang, Fenglei; Yao, Wei; Wu, Haijun; Zhang, Liansheng

2009-06-01

Under dynamic conditions, the strain-rate dependence of material response and high levels of hydrostatic pressure cause the material behavior to be significantly different from what is observed under quasi-static condition. The curves of stress and strain of 30CrMnSiNi2A steel in different strain rates are obtained with SHPB experiments. Metallographic analyses show that 30CrMnSiNi2A steel is sensitive to strain rate, and dynamic compression leads to shear failure with the angle 45^o as the small carbide which precipitates around grain boundary changes the properties of 30CrMnSiNi2A steel. From the SHPB experiments and quasi-static results, the incomplete Johnson-Cook model has been obtained: σ=[1587+382.5(ɛ^p)^0.245][1+0.017ɛ^*], which can offer parameters for theory application and numerical simulation.

Ultrafast Imaging of Chiral Surface Plasmon by Photoemission Electron Microscopy

NASA Astrophysics Data System (ADS)

Dai, Yanan; Dabrowski, Maciej; Petek, Hrvoje

We employ Time-Resolved Photoemission Electron Microscopy (TR-PEEM) to study surface plasmon polariton (SPP) wave packet dynamics launched by tunable (VIS-UV) femtosecond pulses of various linear and circular polarizations. The plasmonic structures are micron size single-crystalline Ag islands grown in situ on Si surfaces and characterized by Low Energy Electron Microscopy (LEEM). The local fields of plasmonic modes enhance two and three photon photoemission (2PP and 3PP) at the regions of strong field enhancement. Imaging of the photoemission signal with PEEM electron optics thus images the plasmonic fields excited in the samples. The observed PEEM images with left and right circularly polarized light show chiral images, which is a consequence of the transverse spin momentum of surface plasmon. By changing incident light polarization, the plasmon interference pattern shifts with light ellipticity indicating a polarization dependent excitation phase of SPP. In addition, interferometric-time resolved measurements record the asymmetric SPP wave packet motion in order to characterize the dynamical properties of chiral SPP wave packets.

Growth and characterization of PbSe and Pb{sub 1{minus}x}Sn{sub x}Se layers on Si (100)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sachar, H.K.; Chao, I.; Fang, X.M.

1998-12-31

Crack-free layers of PbSe were grown on Si (100) by a combination of liquid phase epitaxy (LPE) and molecular beam epitaxy (MBE) techniques. The PbSe layer was grown by LPE on Si(100) using a MBE-grown PbSe/BaF{sub 2}/CaF{sub 2} buffer layer structure. Pb{sub 1{minus}x}Sn{sub x}Se layers with tin contents in the liquid growth solution equal to 3%, 5%, 6%, 7%, and 10%, respectively, were also grown by LPE on Si(100) substrates using similar buffer layer structures. The LPE-grown PbSe and Pb{sub 1{minus}x}Sn{sub x}Se layers were characterized by optical Nomarski microscopy, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electronmore » microscopy (SEM). Optical Nomarski characterization of the layers revealed their excellent surface morphologies and good growth solution wipe-offs. FTIR transmission experiments showed that the absorption edge of the Pb{sub 1{minus}x}Sn{sub x}Se layers shifted to lower energies with increasing tin contents. The PbSe epilayers were also lifted-off from the Si substrate by dissolving the MBE-grown BaF{sub 2} buffer layer. SEM micrographs of the cleaved edges revealed that the lifted-off layers formed structures suitable for laser fabrication.« less

Subsurface Growth of CoSi2 by Deposition of Co on Si-Capped CoSi2 Seed Regions

NASA Technical Reports Server (NTRS)

Fathauer, R. W.; George, T.; Pike, W. T.

1991-01-01

At a growth temperature of 800 C, Co deposited on Si(111) diffuses through a Si cap and exhibits oriented growth on buried CoSi2 grains, a process referred to as endotaxy. This occurs preferentially to surface nucleation of CoSi2 provided the thickness of the Si cap is less than a critical value between 100 and 200 nm for a deposition rate of 0.01 nm/s. Steady-state endotaxy is modeled under the assumption that the process is controlled by Co diffusion.

An inert marker study for palladium silicide formation - Si moves in polycrystalline Pd2Si

NASA Technical Reports Server (NTRS)

Ho, K. T.; Lien, C.-D.; Shreter, U.; Nicolet, M.-A.

1985-01-01

A novel use of Ti marker is introduced to investigate the moving species during Pd2Si formation on 111 and 100 line-type Si substrates. Silicide formed from amorphous Si is also studied using a W marker. Although these markers are observed to alter the silicide formation in the initial stage, the moving species can be identified once a normal growth rate is resumed. It is found that Si is the dominant moving species for all three types of Si crystallinity. However, Pd will participate in mass transport when Si motion becomes obstructed.

The Deformation Behavior and Microstructure Evolution of a Mn- and Cr-Containing Al-Mg-Si-Cu Alloy During Hot Compression and Subsequent Heat Treatment

NASA Astrophysics Data System (ADS)

Xu, Yi; Nagaumi, Hiromi; Han, Yi; Zhang, Gongwang; Zhai, Tongguang

2017-03-01

Hot compression tests on a newly developed Mn- and Cr-containing Al-Mg-Si-Cu alloy were carried out at temperatures ranging from 623 K (350 °C) to 823 K (550 °C) and strain rates between 0.001 and 1 s-1 after casting and subsequent homogenization heat treatment. The true stress-true strain curves of the alloy exhibited a peak stress at a small plastic strain followed by dynamic flow softening. Using the constitutive equation containing the strain rate, peak stress, and temperature, the activation energy for hot deformation in the alloy was determined to be 249.67 kJ/mol, much higher than that (143.4 kJ/mol) for self-diffusion in pure Al. Scanning transmission electron microscopy experiments revealed that Mn- and Cr-containing α-dispersoids formed during homogenization showed a strong pinning effect on dislocations and grain boundaries, which was responsible for the increase in activation energy for hot deformation in the alloy. A threshold stress was consequently introduced and determined in the constitutive equation to count for the dispersoid hardening effect on hot deformation in the alloy. Electron back-scatter diffraction measurements revealed that the softening occurred in the alloy was mainly due to dynamic recovery taking place at relatively large Z values, and that it was dominated by continuous dynamic recrystallization at relatively low Z. In subsequent annealing after hot deformation at large Z, abnormal grain growth could occur, as a result of the critical strain-annealing effect. After upsetting at higher temperatures, the alloy showed superior tensile properties due to a high non-recrystallized area fraction.

Effect of Size-Dependent Thermal Instability on Synthesis of Zn2 SiO4-SiOx Core–Shell Nanotube Arrays and Their Cathodoluminescence Properties

PubMed Central

2010-01-01

Vertically aligned Zn2SiO4-SiOx(x < 2) core–shell nanotube arrays consisting of Zn2SiO4-nanoparticle chains encapsulated into SiOx nanotubes and SiOx-coated Zn2SiO4 coaxial nanotubes were synthesized via one-step thermal annealing process using ZnO nanowire (ZNW) arrays as templates. The appearance of different nanotube morphologies was due to size-dependent thermal instability and specific melting of ZNWs. With an increase in ZNW diameter, the formation mechanism changed from decomposition of “etching” to Rayleigh instability and then to Kirkendall effect, consequently resulting in polycrystalline Zn2SiO4-SiOx coaxial nanotubes, single-crystalline Zn2SiO4-nanoparticle-chain-embedded SiOx nanotubes, and single-crystalline Zn2SiO4-SiOx coaxial nanotubes. The difference in spatially resolved optical properties related to a particular morphology was efficiently documented by means of cathodoluminescence (CL) spectroscopy using a middle-ultraviolet emission at 310 nm from the Zn2SiO4 phase. PMID:20672064

Stability and Control Analysis of V/STOL Type B Aircraft.

DTIC Science & Technology

1979-03-31

control deficiency is larger at higher angles of attack. For example at 100 kt (51 m/s), the maximum sideslip is re- duced 2 deg, or 13%, by increasing... DEFICIENCY AREA L O ESIRED ENVELOPEi ( JI~AX SI lO KTI REACTION\\ TTLJJETS I o-TO J %%PLUS AIlERONS)S, E3" :-o e- AILERONS 0 10 20 30 40 so so 70 80 go...DISCRETE-TIME OPTIMAL CONTROL LAW GAINS [(0-I)r1 [C1 atC 2 1 jAtK1 & tK2 1 H D P! CONTROL LAW IN INCREMENTAL FORM ERROR DYNAMICS: Ak = Aak - Cl( ak

Optomechanical trampoline resonators.

PubMed

Kleckner, Dustin; Pepper, Brian; Jeffrey, Evan; Sonin, Petro; Thon, Susanna M; Bouwmeester, Dirk

2011-09-26

We report on the development of optomechanical "trampoline" resonators composed of a tiny SiO(2)/Ta(2)O(5) dielectric mirror on a silicon nitride micro-resonator. We observe optical finesses of up to 4 × 10(4) and mechanical quality factors as high as 9 × 10(5) in relatively massive (~100 ng) and low frequency (10-200 kHz) devices. This results in a photon-phonon coupling efficiency considerably higher than previous Fabry-Perot-type optomechanical systems. These devices are well suited to ultra-sensitive force detection, ground-state optical cooling experiments, and demonstrations of quantum dynamics for such systems. © 2011 Optical Society of America

The effects of nuclear radiation on Schottky power diodes and power MOSFETs

NASA Astrophysics Data System (ADS)

Kulisek, Jonathan Andrew

NASA is exploring the potential use of nuclear reactors as power sources for future space missions. These missions will require electrical components, consisting of power circuits and semiconductor devices, to be placed in close vicinity to the reactor, in the midst of a high neutron and gamma-ray radiation field. Therefore, the primary goal of this research is to examine the effects of a mixed neutron and gamma-ray radiation field on the static and dynamic electrical performance of power Schottky diodes and power MOSFETs in order to support future design efforts of radiation-hard power semiconductors and circuits. In order to accomplish this, non-radiation hardened commercial power Si and SiC Schottky power diodes, manufactured by International Rectifier and Cree, respectively, were irradiated in the Ohio State University Research Reactor (OSURR), and their degradation in electrical performance was observed using I-V characterization. Key electrical performance parameters were extracted using least squares curve-fits of the corresponding semiconductor physics model equations to the experimental data, and these electrical performance parameters were used to model the diodes in PSpice. A half-wave rectifier circuit containing Cree SiC Schottky diodes, rated for 5 A DC forward current and 1200 V DC blocking voltage, was also tested and modeled in order to determine and analyze changes in overall circuit performance and diode power dissipation as a function of radiation dose. Also, electrical components will be exposed to charged particle radiation from space, such as high energy protons in the Van Allen Radiation Belts surrounding earth. Therefore, the results from this study, with respect to the Si and SiC Schottky power diodes, were compared to results published by NASA, which had tested the same diode models at the Indiana University Cyclotron Facility (IUCF) with a 203 MeV proton beam. The comparison was made on the basis of displacement damage dose, calculated with the aid of MCNPX 2.6.0, a charged particle transport code. From the results of the calculation, it was determined that the response of both the Si and SiC diodes to the OSURR neutron and gamma-ray radiation field could be used to predict the response of the same diodes to the 203 MeV proton beam to a reasonable extent, relative to other published studies employing the same model. In addition, 100 V and 500 V power MOSFETs were irradiated in the OSURR, and their degradation in electrical performance was observed using I-V characterization. Changes in threshold voltage, transconductance parameter, and on-state resistance were observed for both 100 V and 500 V MOSFETs and were attributed to radiation-induced degradation of the SiO2 gate, Si-SiO2 interface, and n- drift layer. Furthermore, diodes and MOSFETs were irradiated and tested in basic power electronic circuits in order to determine the overall circuit response, as well as the dynamic electrical performance characteristics of the diodes and MOSFETs as they are switched from conducting (on) to non-conducting (off) states. All of the Schottky diodes maintained their voltage-blocking capability in the tested circuits, despite substantial radiation-induced increases in series resistance. Also, as radiation dose increased, an increase was observed in the turn-off delay times and turn-off times of the MOSFETs coupled with a decrease in turn-on delay time, which caused an increase in the output voltage in the buck and boost converters of which the MOSFETs were a part. Furthermore, the power dissipation in the MOSFETs during conduction and the over-voltage turn-off transient increased as a function of radiation dose, while the power dissipation during turn-on was essentially unaffected by the radiation.

The influence of passivation and photovoltaic properties of α-Si:H coverage on silicon nanowire array solar cells

PubMed Central

2013-01-01

Silicon nanowire (SiNW) arrays for radial p-n junction solar cells offer potential advantages of light trapping effects and quick charge collection. Nevertheless, lower open circuit voltages (Voc) lead to lower energy conversion efficiencies. In such cases, the performance of the solar cells depends critically on the quality of the SiNW interfaces. In this study, SiNW core-shell solar cells have been fabricated by growing crystalline silicon (c-Si) nanowires via the metal-assisted chemical etching method and by depositing hydrogenated amorphous silicon (α-Si:H) via the plasma-enhanced chemical vapor deposition (PECVD) method. The influence of deposition parameters on the coverage and, consequently, the passivation and photovoltaic properties of α-Si:H layers on SiNW solar cells have been analyzed. PMID:24059343

Molecular recognition on a cavitand-functionalized silicon surface.

PubMed

Biavardi, Elisa; Favazza, Maria; Motta, Alessandro; Fragalà, Ignazio L; Massera, Chiara; Prodi, Luca; Montalti, Marco; Melegari, Monica; Condorelli, Guglielmo G; Dalcanale, Enrico

2009-06-03

A Si(100) surface featuring molecular recognition properties was obtained by covalent functionalization with a tetraphosphonate cavitand (Tiiii), able to complex positively charged species. Tiiii cavitand was grafted onto the Si by photochemical hydrosilylation together with 1-octene as a spatial spectator. The recognition properties of the Si-Tiiii surface were demonstrated through two independent analytical techniques, namely XPS and fluorescence spectroscopy, during the course of reversible complexation-guest exchange-decomplexation cycles with specifically designed ammonium and pyridinium salts. Control experiments employing a Si(100) surface functionalized with a structurally similar, but complexation inactive, tetrathiophosphonate cavitand (TSiiii) demonstrated no recognition events. This provides evidence for the complexation properties of the Si-Tiiii surface, ruling out the possibility of nonspecific interactions between the substrate and the guests. The residual Si-O(-) terminations on the surface replace the guests' original counterions, thus stabilizing the complex ion pairs. These results represent a further step toward the control of self-assembly of complex supramolecular architectures on surfaces.

Solution-Synthesized Chevron Graphene Nanoribbons Exfoliated onto H:Si(100).

PubMed

Radocea, Adrian; Sun, Tao; Vo, Timothy H; Sinitskii, Alexander; Aluru, Narayana R; Lyding, Joseph W

2017-01-11

There has been tremendous progress in designing and synthesizing graphene nanoribbons (GNRs). The ability to control the width, edge structure, and dopant level with atomic precision has created a large class of accessible electronic landscapes for use in logic applications. One of the major limitations preventing the realization of GNR devices is the difficulty of transferring GNRs onto nonmetallic substrates. In this work, we developed a new approach for clean deposition of solution-synthesized atomically precise chevron GNRs onto H:Si(100) under ultrahigh vacuum. A clean transfer allowed ultrahigh-vacuum scanning tunneling microscopy (STM) to provide high-resolution imaging and spectroscopy and reveal details of the electronic structure of chevron nanoribbons that have not been previously reported. We also demonstrate STM nanomanipulation of GNRs, characterization of multilayer GNR cross-junctions, and STM nanolithography for local depassivation of H:Si(100), which allowed us to probe GNR-Si interactions and revealed a semiconducting-to-metallic transition. The results of STM measurements were shown to be in good agreement with first-principles computational modeling.

Deposition of undoped and Al doped ZnO thin films using RF magnetron sputtering and study of their structural, optical and electrical properties

NASA Astrophysics Data System (ADS)

Parvathy Venu, M.; Shrisha B., V.; Balakrishna, K. M.; Naik, K. Gopalakrishna

2017-05-01

Undoped ZnO and Al doped ZnO thin films were deposited on glass and p-Si(100) substrates by RF magnetron sputtering technique at room temperature using homemade targets. ZnO target containing 5 at% of Al2O3 as doping source was used for the growth of Al doped ZnO thin films. XRD revealed that the films have hexagonal wurtzite structure with high crystallinity. Morphology and chemical composition of the films have been indicated by FESEM and EDAX studies. A blue shift of the band gap energy and higher optical transmittance has been observed in the case of Al doped ZnO (ZnO:Al) thin films with respect to the ZnO thin films. The as deposited films on p-Si were used to fabricate n-ZnO/p-Si(100) and n-ZnO:Al/p-Si(100) heterojunction diodes and their room temperature current-voltage characteristics were studied.

The role of tree uprooting dynamics on the dynamics of Fe (Mn, Al and Si) forms in different forest soils

NASA Astrophysics Data System (ADS)

Tejnecký, V.; Samonil, P.; Boruvka, L.; Nikodem, A.; Drabek, O.; Valtera, M.

2013-12-01

Tree uprooting dynamics plays an important role in the development of forest ecosystems. This process causes bioturbation of soils and creates new microenvironments which consist of pits and mounds. These microtopographical forms could persist for some thousands of years. Pits and mounds undergo different pedogenesis in comparison to adjacent undisturbed soils. The stage of pedogenesis can be assessed according to the results of fractionation of Fe and also partially Mn, Al and Si. The main aim of this contribution is to assess the fractionation of Fe, Mn, Al and Si for three different soil regions. Soil samples were collected at three localities occurred along hypothetical gradient of soil weathering and leaching processes: The first was a (spruce)-fir-beech natural forest in the Razula region. The second location is the same type of natural forest in Zofin; however it has contrasting lithology. Both these natural forests are located in the Czech Republic (CZ). The third forest was a northern hardwood forest in Upper Peninsula, Michigan, USA. The prevailing soil types - Haplic Cambisols have formed on flysch parent materials in the Razula reserve; Entic Podzols have developed on granite residuum at the Zofin reserve, and Albic Podzols occurred in outwash parent materials at the Michigan sites (Šamonil et al., in press). In total 790 soil samples were analysed. These samples were collected from 5 depths (0-10, 15, 30, 50 and 100 cm) within the pit, mound and control, currently undisturbed position. For each sample, content of Fe (and Mn, Al, Si) forms: exchangeable, crystalline, and amorphous together with organically complexed Fe were determined. We generally observed an increased content of Fe soil forms in the pits of studied treethrows. The content of Fe forms increased along depth gradient at the disturbed sites. However, exchangeable Fe was most abundant in the 0-10cm layer which corresponds to the A horizon. Naturally, if present, the E horizon exhibited the lowest content of exchangeable Fe forms. The content of crystalline Fe forms also increased with the age of the windthrow. Differences in the amounts of Fe, Mn, Al and Si forms were observed between all studied localities. Research was supported by the Czech Science Foundation (project No. P504/11/2135). Šamonil P., Schaetzl R. J., Valtera M., Goliáš V., Baldrian P., Vašíčková I., Adam D., Janík D., Hort L. (in press). Crossdating of disturbances by tree uprooting: Can treethrow microtopography persist for 6,000 years? Forest Ecology and Management.

New self-limiting assembly model for Si quantum rings on Si(100).

PubMed

Yu, L W; Chen, K J; Song, J; Xu, J; Li, W; Li, X F; Wang, J M; Huang, X F

2007-04-20

We propose a new self-limiting assembly model for Si quantum rings on Si(100) where the ring's formation and evolution are driven by a growth-etching competition mechanism. The as-grown ring structure in a plasma enhanced chemical vapor deposition system has excellent rotational symmetry and superior morphology with a typical diameter, edge width, and height of 150-300, 10, and 5 nm, respectively. Based on this model, the size and morphology can be controlled well by simply tuning the timing procedure. We suggest that this growth model is not limited to certain material system, but provides a general scheme to control and tailor the self-assembly nanostructures into the desired size, shape, and complexity.

Structural and magnetic studies of Cr doped nickel ferrite thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Panwar, Kalpana, E-mail: kalpanapanwar99@gmail.com; Department of Physics, Govt. Women Engg. College, Ajmer-305002; Heda, N. L.

We have studied the structural and magnetic properties of Cr doped nickel ferrite thin films deposited on Si (100) and Si (111) using pulsed laser deposition technique. The films were deposited under vacuum and substrate temperature was kept at 700°C. X-ray diffraction analysis revealed that films on both substrates have single phase cubic spinel structure. However, the film grown on Si (111) shows better crystalline behavior. Fourier transform infrared spectroscopy suggests that films on both substrates have mixed spinel structure. These films show magnetic hysteresis behavior and magnetization value of film on Si (100) is larger than that on Simore » (111). It turns out that structural and magnetic properties of these two films are correlated.« less

Harnessing the concurrent reaction dynamics in active Si and Ge to achieve high performance lithium-ion batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Qiaobao; Chen, Huixin; Luo, Langli

Advanced composite electrodes containing multiple active components are often used in lithium-ion batteries for practical applications. The performance of such heterogeneous composite electrodes can in principle be enhanced by tailoring the concurrent reaction dynamics in multiple active components for promoting their collective beneficial effects. However, the potential of this design principle has remained uncharted to date. Here we develop a composite anode of Cu/Si/Ge nanowire arrays, where each nanowire consists of a core of Cu segments and a Si/Ge bilayer shell. This unique electrode architecture exhibited a markedly improved electrochemical performance over the reference Cu/Si systems, demonstrating a stable capacitymore » retention (81% after 3000 cycles at 2C) and doubled specific capacity at a rate of 16C (1C = 2 A g1). By using in situ transmission electron microscopy and electrochemical testing, we unravel a novel reaction mechanism of dynamic co-lithiation/co-delithiation in the active Si and Ge bilayer, which is shown to effectively alleviate the electrochemically induced mechanical degradation and thus greatly enhance the long-cycle stability of the electrode. Our findings offer insights into a rational design of high-performance lithium-ion batteries via exploiting the concurrent reaction dynamics in the multiple active components of composite electrodes.A composite anode of Cu/Si/Ge nanowire arrays grown on a porous Ni foam enables the outstanding capacity, rate capability and cycle stability of Li-ion batteries.« less

Si-H bond dynamics in hydrogenated amorphous silicon

NASA Astrophysics Data System (ADS)

Scharff, R. Jason; McGrane, Shawn D.

2007-08-01

The ultrafast structural dynamics of the Si-H bond in the rigid solvent environment of an amorphous silicon thin film is investigated using two-dimensional infrared four-wave mixing techniques. The two-dimensional infrared (2DIR) vibrational correlation spectrum resolves the homogeneous line shapes ( <2.5cm-1 linewidth) of the 0→1 and 1→2 vibrational transitions within the extensively inhomogeneously broadened ( 78cm-1 linewidth) Si-H vibrational band. There is no spectral diffusion evident in correlation spectra obtained at 0.2, 1, and 4ps waiting times. The Si-H stretching mode anharmonic shift is determined to be 84cm-1 and decreases slightly with vibrational frequency. The 1→2 linewidth increases with vibrational frequency. Frequency dependent vibrational population times measured by transient grating spectroscopy are also reported. The narrow homogeneous line shape, large inhomogeneous broadening, and lack of spectral diffusion reported here present the ideal backdrop for using a 2DIR probe following electronic pumping to measure the transient structural dynamics implicated in the Staebler-Wronski degradation [Appl. Phys. Lett. 31, 292 (1977)] in a-Si:H based solar cells.

Lattice Dynamics Study of Phonon Instability and Thermal Properties of Type-I Clathrate K8Si46 under High Pressure

PubMed Central

Zhang, Wei; Zeng, Zhao Yi; Ge, Ni Na; Li, Zhi Guo

2016-01-01

For a further understanding of the phase transitions mechanism in type-I silicon clathrates K8Si46, ab initio self-consistent electronic calculations combined with linear-response method have been performed to investigate the vibrational properties of alkali metal K atoms encapsulated type-I silicon-clathrate under pressure within the framework of density functional perturbation theory. Our lattice dynamics simulation results showed that the pressure induced phase transition of K8Si46 was believed to be driven by the phonon instability of the calthrate lattice. Analysis of the evolution of the partial phonon density of state with pressure, a legible dynamic picture for both guest K atoms and host lattice, was given. In addition, based on phonon calculations and combined with quasi-harmonic approximation, the specific heat of K8Si46 was derived, which agreed very well with experimental results. Also, other important thermal properties including the thermal expansion coefficients and Grüneisen parameters of K8Si46 under different temperature and pressure were also predicted. PMID:28773736

A tunable sub-100 nm silicon nanopore array with an AAO membrane mask: reducing unwanted surface etching by introducing a PMMA interlayer.

PubMed

Lim, Namsoo; Pak, Yusin; Kim, Jin Tae; Hwang, Youngkyu; Lee, Ryeri; Kumaresan, Yogeenth; Myoung, NoSoung; Ko, Heung Cho; Jung, Gun Young

2015-08-28

Highly ordered silicon (Si) nanopores with a tunable sub-100 nm diameter were fabricated by a CF4 plasma etching process using an anodic aluminum oxide (AAO) membrane as an etching mask. To enhance the conformal contact of the AAO membrane mask to the underlying Si substrate, poly(methyl methacrylate) (PMMA) was spin-coated on top of the Si substrate prior to the transfer of the AAO membrane. The AAO membrane mask was fabricated by two-step anodization and subsequent removal of the aluminum support and the barrier layer, which was then transferred to the PMMA-coated Si substrate. Contact printing was performed on the sample with a pressure of 50 psi and a temperature of 120 °C to make a conformal contact of the AAO membrane mask to the Si substrate. The CF4 plasma etching was conducted to transfer nanopores onto the Si substrate through the PMMA interlayer. The introduced PMMA interlayer prevented unwanted surface etching of the Si substrate by eliminating the etching ions and radicals bouncing at the gap between the mask and the substrate, resulting in a smooth Si nanopore array.

LEO Flight Testing of GaAs on Si Solar Cells Aboard MISSES

NASA Technical Reports Server (NTRS)

Wilt, David M.; Clark, Eric B.; Ringel, Steven A.; Andre, Carrie L.; Smith, Mark A.; Scheiman, David A.; Jenkins, Phillip P.; Maurer, William F.; Fitzgerald, Eugene A.; Walters, R. J.

2004-01-01

Previous research efforts have demonstrated small area (0.04 cm) GaAs on Si (GaAs/Si) solar cells with AM0 efficiencies in excess of 17%. These results were achieved on Si substrates coated with a step graded buffer of Si(x),Ge(1-x) alloys graded to 100% Ge. Recently, a 100-fold increase in device area was accomplished for these devices in preparation for on-orbit testing of this technology aboard Materials International Space Station Experiment number 5 (MISSE5). The GaAs/Si MISSE5 experiment contains five (5) GaAs/Si test devices with areas of lcm(exp 2) and 4cm(exp 4) as well as two (2) GaAs on GaAs control devices. Electrical performance data, measured on-orbit for three (3) of the test devices and one (1) of the control devices, will be telemetered to ground stations daily. After approximately one year on orbit, the MISSE5 payload will be returned to Earth for post flight evaluation. This paper will discuss the development of the GaAs/Si devices for the MISSE5 flight experiment and will present recent ground and on-orbit performance data.

Composite quantum collision models

NASA Astrophysics Data System (ADS)

Lorenzo, Salvatore; Ciccarello, Francesco; Palma, G. Massimo

2017-09-01

A collision model (CM) is a framework to describe open quantum dynamics. In its memoryless version, it models the reservoir R as consisting of a large collection of elementary ancillas: the dynamics of the open system S results from successive collisions of S with the ancillas of R . Here, we present a general formulation of memoryless composite CMs, where S is partitioned into the very open system under study S coupled to one or more auxiliary systems {Si} . Their composite dynamics occurs through internal S -{Si} collisions interspersed with external ones involving {Si} and the reservoir R . We show that important known instances of quantum non-Markovian dynamics of S —such as the emission of an atom into a reservoir featuring a Lorentzian, or multi-Lorentzian, spectral density or a qubit subject to random telegraph noise—can be mapped on to such memoryless composite CMs.

Substrate impact on the low-temperature growth of GaN thin films by plasma-assisted atomic layer deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kizir, Seda; Haider, Ali; Biyikli, Necmi, E-mail: biyikli@unam.bilkent.edu.tr

2016-07-15

Gallium nitride (GaN) thin films were grown on Si (100), Si (111), and c-plane sapphire substrates at 200 °C via hollow-cathode plasma-assisted atomic layer deposition (HCPA-ALD) using GaEt{sub 3} and N{sub 2}/H{sub 2} plasma as group-III and V precursors, respectively. The main aim of the study was to investigate the impact of substrate on the material properties of low-temperature ALD-grown GaN layers. Structural, chemical, and optical characterizations were carried out in order to evaluate and compare film quality of GaN on different substrates. X-ray reflectivity measurements showed film density values of 5.70, 5.74, and 5.54 g/cm{sup 3} for GaN grown on Simore » (100), Si (111), and sapphire, respectively. Grazing incidence x-ray diffraction measurements exhibited hexagonal wurtzite structure in all HCPA-ALD grown GaN samples. However, dominant diffraction peak for GaN films grown on Si and sapphire substrates were detected differently as (002) and (103), respectively. X-ray diffraction gonio scans measured from GaN grown on c-plane sapphire primarily showed (002) orientation. All samples exhibited similar refractive index values (∼2.17 at 632 nm) with 2–3 at. % of oxygen impurity existing within the bulk of the films. The grain size was calculated as ∼9–10 nm for GaN grown on Si (100) and Si (111) samples while it was ∼5 nm for GaN/sapphire sample. Root-mean-square surface roughness values found as 0.68, 0.76, and 1.83 nm for GaN deposited on Si (100), Si (111), and sapphire, respectively. Another significant difference observed between the samples was the film growth per cycle: GaN/sapphire sample showed a considerable higher thickness value when compared with GaN/Si samples, which might be attributed to a possibly more-efficient nitridation and faster nucleation of sapphire surface.« less

Pseudomorphic GeSiSn, SiSn and Ge layers in strained heterostructures

NASA Astrophysics Data System (ADS)

Timofeev, V. A.; Nikiforov, A. I.; Tuktamyshev, A. R.; Mashanov, V. I.; Loshkarev, I. D.; Bloshkin, A. A.; Gutakovskii, A. K.

2018-04-01

The GeSiSn, SiSn layer growth mechanisms on Si(100) were investigated and the kinetic diagrams of the morphological GeSiSn, SiSn film states in the temperature range of 150 °C-450 °C at the tin content from 0% to 35% were built. The phase diagram of the superstructural change on the surface of Sn grown on Si(100) in the annealing temperature range of 0 °C-850 °C was established. The specular beam oscillations were first obtained during the SiSn film growth from 150 °C to 300 °C at the Sn content up to 35%. The transmission electron microscopy and x-ray diffractometry data confirm the crystal perfection and the pseudomorphic GeSiSn, SiSn film state, and also the presence of smooth heterointerfaces between GeSiSn or SiSn and Si. The photoluminescence for the multilayer periodic GeSiSn/Si structures in the range of 0.6-0.8 eV was detected. The blue shift with the excitation power increase is observed suggesting the presence of a type II heterostructure. The creation of tensile strained Ge films, which are pseudomorphic to the underlying GeSn layer, is confirmed by the results of the formation and analysis of the reciprocal space map in the x-ray diffractometry. The tensile strain in the Ge films reached the value in the range of 0.86%-1.5%. The GeSn buffer layer growth in the Sn content range from 8% to 12% was studied. The band structure of heterosystems based on pseudomorphic GeSiSn, SiSn and Ge layers was calculated and the valence and conduction band subband position dependences on the Sn content were built. Based on the calculation, the Sn content range in the GeSiSn, SiSn, and GeSn layers, which corresponds to the direct bandgap GeSiSn, SiSn, and Ge material, was obtained.

Development of a process for producing ribbon shaped filaments. [production of silicon carbide filaments

NASA Technical Reports Server (NTRS)

Debolt, H. E.; Krukonis, V. J.

1973-01-01

Silicon carbide (SiC) ribbon filaments were produced on a carbon ribbon substrate, about 1500 microns (60 mils) wide and 100 microns (4 mils) thick in lengths up to 2 meters (6 ft), and with tensile strengths up to 142 KN/cm sq (206 Ksi). During the course of the study, ribbon filaments of boron were also produced on the carbon ribbon substrate; the boron ribbon produced was extremely fragile. The tensile strength of the SiC ribbon was limited by large growths or flaws caused by anomalies at the substrate surface; these anomalies were either foreign dirt or substrate imperfections or both. Related work carried out on round 100 micron (4 mils) diameter SiC filaments on a 33 micron (1.3 mil) diameter, very smooth carbon monofilament substrate has shown that tensile strengths as high as 551 KN/cm sq (800 Ksi) are obtainable with the SiC-carbon round substrate combination, and indicates that if the ribbon substrate surface and ribbon deposition process can be improved similar strengths can be realizable. Cost analysis shows that 100 micron x 5-10 micron SiC ribbon can be very low cost reinforcement material.

A Reaction-ball-milling-driven Surface Coating Strategy to Suppress Pulverization of Microparticle Si Anodes.

PubMed

Yang, Yaxiong; Qu, Xiaolei; Zhang, Lingchao; Gao, Mingxia; Liu, Yongfeng; Pan, Hongge

2018-06-01

In this work, we report on a novel reaction-ball-milling surface coating strategy to suppress the pulverization of microparticle Si anodes upon lithiation/delithiation. By energetic milling the partially prelithiated microparticle Si in a CO2 atmosphere, a multicomponent amorphous layer composed of SiOx, C, SiC and Li2SiO3 is successfully coated on the surface of Si microparticles. The coating level strongly depends on the milling reaction duration, and the 12-h milled prelithiated Si microparticles (BM12h) under a pressure of 3 bar of CO2 exhibits a good conformal coating with 1.006 g cm3 of tap density. The presence of SiC remarkably enhances the mechanical properties of the SiOx/C coating matrix with an approximately 4-fold increase in the elastic modulus and the hardness values, which effectively alleviates the global volume expansion of the Si microparticles upon lithiation. Simultaneously, the existence of Li2SiO3 insures the Li-ion conductivity of the coating layer. Moreover, the SEI film formed on the electrode surface maintains relatively stable upon cycling due to the remarkably suppressed crack and pulverization of particles. These processes work together to allow the BM12h sample to offer much better cycling stability, as its reversible capacity remains at 1439 mAh g-1 at 100 mA g-1 after 100 cycles, which is nearly 4 times that of the pristine Si microparticles (381 mAh g-1). This work opens up new opportunities for the practical applications of micrometre-scaled Si anode.

Interface Si donor control to improve dynamic performance of AlGaN/GaN MIS-HEMTs

NASA Astrophysics Data System (ADS)

Song, Liang; Fu, Kai; Zhang, Zhili; Sun, Shichuang; Li, Weiyi; Yu, Guohao; Hao, Ronghui; Fan, Yaming; Shi, Wenhua; Cai, Yong; Zhang, Baoshun

2017-12-01

In this letter, we have studied the performance of AlGaN/GaN metal-insulator-semiconductor high electron mobility transistors (MIS-HEMTs) with different interface Si donor incorporation which is tuned during the deposition process of LPCVD-SiNx which is adopted as gate dielectric and passivation layer. Current collapse of the MIS-HEMTs without field plate is suppressed more effectively by increasing the SiH2Cl2/NH3 flow ratio and the normalized dynamic on-resistance (RON) is reduced two orders magnitude after off-state VDS stress of 600 V for 10 ms. Through interface characterization, we have found that the interface deep-level traps distribution with high Si donor incorporation by increasing the SiH2Cl2/NH3 flow ratio is lowered. It's indicated that the Si donors are most likely to fill and screen the deep-level traps at the interface resulting in the suppression of slow trapping process and the virtual gate effect. Although the Si donor incorporation brings about the increase of gate leakage current (IGS), no clear degradation of breakdown voltage can be seen by choosing appropriate SiH2Cl2/NH3 flow ratio.

MUSIC: An 8 channel readout ASIC for SiPM arrays

NASA Astrophysics Data System (ADS)

Gómez, Sergio; Gascón, David; Fernández, Gerard; Sanuy, Andreu; Mauricio, Joan; Graciani, Ricardo; Sanchez, David

2016-04-01

This paper presents an 8 channel ASIC for SiPM anode readout based on a novel low input impedance current conveyor (under patent1). This Multiple Use SiPM Integrated Circuit (MUSIC) has been designed to serve several purposes, including, for instance, the readout of SiPM arrays for some of the Cherenkov Telescope Array (CTA) cameras. The current division scheme at the very front end part of the circuit splits the input current into differently scaled copies which are connected to independent current mirrors. The circuit contains a tunable pole zero cancellation of the SiPM recovery time constant to deal with sensors from different manufacturers. Decay times up to 100 ns are supported covering most of the available SiPM devices in the market. MUSIC offers three main features: (1) differential output of the sum of the individual input channels; (2) 8 individual single ended analog outputs and; (3) 8 individual binary outputs. The digital outputs encode the amount of collected charge in the duration of the digital signal using a time over threshold technique. For each individual channel, the user must select the analog or digital output. Each functionality, the signal sum and the 8 A/D outputs, include a selectable dual-gain configuration. Moreover, the signal sum implements dual-gain output providing a 15 bit dynamic range. Full die simulation results of the MUSIC designed using AMS 0.35 µm SiGe technology are presented: total die size of 9 mm2, 500 MHz bandwidth for channel sum and 150 MHz bandwidth for A/D channels, low input impedance (≍32 Ω), single photon output pulse width at half maximum (FWHM) between 5 and 10 ns and with a power consumption of ≍ 30 mW/ch plus ≍ 200 mW for the 8 ch sum. Encapsulated prototype samples of the MUSIC are expected by March 2016.

Fermi level pinning at epitaxial Si on GaAs(100) interfaces

NASA Astrophysics Data System (ADS)

Silberman, J. A.; de Lyon, T. J.; Woodall, J. M.

1991-12-01

GaAs Schottky barrier contacts and metal-insulator-semiconductor structures that include thin epitaxial Si interfacial layers operate in a manner consistent with an unpinned Fermi level at the GaAs interface. These findings raise the question of whether this effect is an intrinsic property of the epitaxial GaAs(100)-Si interface. We have used x-ray photoemission spectroscopy to monitor the Fermi level position during in situ growth of thin epitaxial Si layers. In particular, films formed on heavily doped n- and p-type substrates were compared so as to use the large depletion layer fields available with high impurity concentration as a field-effect probe of the interface state density. The results demonstrate that epitaxial bonding at the interface alone is insufficient to eliminate Fermi level pinning, indicating that other mechanisms affect the interfacial charge balance in the devices that utilize Si interlayers.

Locally measuring the adhesion of InP directly bonded on sub-100 nm patterned Si.

PubMed

Pantzas, K; Le Bourhis, E; Patriarche, G; Troadec, D; Beaudoin, G; Itawi, A; Sagnes, I; Talneau, A

2016-03-18

A nano-scale analogue to the double cantilever experiment that combines instrumented nano-indentation and atomic force microscopy is used to precisely and locally measure the adhesion of InP bonded on sub-100 nm patterned Si using oxide-free or oxide-mediated bonding. Surface-bonding energies of 0.548 and 0.628 J m(-2), respectively, are reported. These energies correspond in turn to 51% and 57% of the surface bonding energy measured in unpatterned regions on the same samples, i.e. the proportion of unetched Si surface in the patterned areas. The results show that bonding on patterned surfaces can be as robust as on unpatterned surfaces, provided care is taken with the post-patterning surface preparation process and, therefore, open the path towards innovative designs that include patterns embedded in the Si guiding layer of hybrid III-V/Si photonic integrated circuits.

Single-crystalline chromium silicide nanowires and their physical properties.

PubMed

Hsu, Han-Fu; Tsai, Ping-Chen; Lu, Kuo-Chang

2015-01-01

In this work, chromium disilicide nanowires were synthesized by chemical vapor deposition (CVD) processes on Si (100) substrates with hydrous chromium chloride (CrCl3 · 6H2O) as precursors. Processing parameters, including the temperature of Si (100) substrates and precursors, the gas flow rate, the heating time, and the different flow gas of reactions were varied and studied; additionally, the physical properties of the chromium disilicide nanowires were measured. It was found that single-crystal CrSi2 nanowires with a unique morphology were grown at 700°C, while single-crystal Cr5Si3 nanowires were grown at 750°C in reducing gas atmosphere. The crystal structure and growth direction were identified, and the growth mechanism was proposed as well. This study with magnetism, photoluminescence, and field emission measurements demonstrates that CrSi2 nanowires are attractive choices for future applications in magnetic storage, photovoltaic, and field emitters.

Growth of single-crystalline cobalt silicide nanowires and their field emission property

PubMed Central

2013-01-01

In this work, cobalt silicide nanowires were synthesized by chemical vapor deposition processes on Si (100) substrates with anhydrous cobalt chloride (CoCl2) as precursors. Processing parameters, including the temperature of Si (100) substrates, the gas flow rate, and the pressure of reactions were varied and studied; additionally, the physical properties of the cobalt silicide nanowires were measured. It was found that single-crystal CoSi nanowires were grown at 850°C ~ 880°C and at a lower gas flow rate, while single-crystal Co2Si nanowires were grown at 880°C ~ 900°C. The crystal structure and growth direction were identified, and the growth mechanism was proposed as well. This study with field emission measurements demonstrates that CoSi nanowires are attractive choices for future applications in field emitters. PMID:23819795

Slow positron studies of hydrogen activation/passivation on SiO2/Si(100) interfaces

NASA Astrophysics Data System (ADS)

Lynn, K. G.; Asoka-Kumar, P.

The hydrogen atoms are one of the most common impurity species found in semiconductor systems owing to its large diffusivity, and are easily incorporated either in a controlled process like in ion implantation or in an uncontrolled process like the one at the fabrication stage. Hydrogen can passivate dangling bonds and dislocations in these systems and hence can be used to enhance the electrical properties. In a SiO2/Si system, hydrogen can passivate electronic states at the interface and can alter the fixed or mobile charges in the oxide layer. Since hydrogen is present in almost all of the environments of SiO2/Si wafer fabrication, the activation energy of hydrogen atoms is of paramount importance to a proper understanding of SiO2/Si based devices and has not been measured on the technologically most important Si(100) face. There are no direct, nondestructive methods available to observe hydrogen injection into the oxide layer and subsequent diffusion. The positrons are used as a 'sensitive', nondestructive probe to observe hydrogen interaction in the oxide layer and the interface region. A new way is described of characterizing the changes in the density of the interface states under a low temperature annealing using positrons.

Three Groups of Transposable Elements with Contrasting Copy Number Dynamics and Host Responses in the Maize (Zea mays ssp. mays) Genome

PubMed Central

Diez, Concepcion M.; Meca, Esteban; Tenaillon, Maud I.; Gaut, Brandon S.

2014-01-01

Most angiosperm nuclear DNA is repetitive and derived from silenced transposable elements (TEs). TE silencing requires substantial resources from the plant host, including the production of small interfering RNAs (siRNAs). Thus, the interaction between TEs and siRNAs is a critical aspect of both the function and the evolution of plant genomes. Yet the co-evolutionary dynamics between these two entities remain poorly characterized. Here we studied the organization of TEs within the maize (Zea mays ssp mays) genome, documenting that TEs fall within three groups based on the class and copy numbers. These groups included DNA elements, low copy RNA elements and higher copy RNA elements. The three groups varied statistically in characteristics that included length, location, age, siRNA expression and 24∶22 nucleotide (nt) siRNA targeting ratios. In addition, the low copy retroelements encompassed a set of TEs that had previously been shown to decrease expression within a 24 nt siRNA biogenesis mutant (mop1). To investigate the evolutionary dynamics of the three groups, we estimated their abundance in two landraces, one with a genome similar in size to that of the maize reference and the other with a 30% larger genome. For all three accessions, we assessed TE abundance as well as 22 nt and 24 nt siRNA content within leaves. The high copy number retroelements are under targeted similarly by siRNAs among accessions, appear to be born of a rapid bust of activity, and may be currently transpositionally dead or limited. In contrast, the lower copy number group of retrolements are targeted more dynamically and have had a long and ongoing history of transposition in the maize genome. PMID:24743518

An investigation of enhanced secondary ion emission under Au(n)+ (n = 1-7) bombardment.

PubMed

Nagy, G; Gelb, L D; Walker, A V

2005-05-01

We investigate the mechanism of the nonlinear secondary ion yield enhancement using Au(n)+ (n = 1, 2, 3, 5, 7) primary ions bombarding thin films of Irganox 1010, DL-phenylalanine and polystyrene on Si, Al, and Ag substrates. The largest differences in secondary ion yields are found using Au+, Au2+, and Au3+ primary ion beams. A smaller increase in secondary ion yield is observed using Au5+ and Au7+ primary ions. The yield enhancement is found to be larger on Si than on Al, while the ion yield is smaller using an Au+ beam on Si than on Al. Using Au(n)+ ion structures obtained from Density Functional Theory, we demonstrate that the secondary yield enhancement is not simply due to an increase in energy per area deposited into the surface (energy deposition density). Instead, based on simple mechanical arguments and molecular dynamics results from Medvedeva et al, we suggest a mechanism for nonlinear secondary ion yield enhancement wherein the action of multiple concerted Au impacts leads to efficient energy transfer to substrate atoms in the near surface region and an increase in the number of secondary ions ejected from the surface. Such concerted impacts involve one, two, or three Au atoms, which explains well the large nonlinear yield enhancements observed going from Au+ to Au2+ to Au3+ primary ions. This model is also able to explain the observed substrate effect. For an Au+ ion passing through the more open Si surface, it contacts fewer substrate atoms than in the more dense Al surface. Less energy is deposited in the Si surface region by the Au+ primary ion and the secondary ion yield will be lower for adsorbates on Si than on Al. In the case of Au(n)+ the greater density of Al leads to earlier break-up of the primary ion and a consequent reduction in energy transfer to the near-surface region when compared with Si. This results in higher secondary ion yields and yield enhancements on silicon than aluminum substrates.

Surface Structure and Surface Electronic States Related to Plasma Cleaning of Silicon and Germanium

NASA Astrophysics Data System (ADS)

Cho, Jaewon

This thesis discusses the surface structure and the surface electronic states of Si and Ge(100) surfaces as well as the effects of oxidation process on the silicon oxide/Si(100) interface structure. The H-plasma exposure was performed in situ at low temperatures. The active species, produced in the H-plasma by the rf-excitation of H_2 gas, not only remove microcontaminants such as oxygen and carbon from the surface, but also passivate the surface with atomic hydrogen by satisfying the dangling bonds of the surface atoms. The surfaces were characterized by Angle Resolved UV-Photoemission Spectroscopy (ARUPS) and Low Energy Electron Diffraction (LEED). In the case of Si(100), H-plasma exposure produced ordered H-terminated crystallographic structures with either a 2 x 1 or 1 x 1 LEED pattern. The hydride phases, found on the surfaces of the cleaned Si(100), were shown to depend on the temperature of the surface during H-plasma cleaning. The electronic states for the monohydride and dihydride phases were identified by ARUPS. When the plasma cleaned surface was annealed, the phase transition from the dihydride to monohydride was observed. The monohydride Si-H surface bond was stable up to 460^circC, and the dangling bond surface states were identified after annealing at 500^circC which was accompanied by the spectral shift. The H-terminated surface were characterized to have a flat band structure. For the Ge(100) surface, an ordered 2 x 1 monohydride phase was obtained from the surface cleaned at 180 ^circC. After plasma exposure at <=170^circC a 1 x 1 surface was observed, but the ARUPS indicated that the surface was predominantly composed of disordered monohydride structures. After annealing above the H-dissociation temperatures, the shift in the spectrum was shown to occur with the dangling bond surface states. The H-terminated surfaces were identified to be unpinned. The interface structure of silicon oxide/Si(100) was studied using ARUPS. Spectral shifts were observed, which were dependent on the processes of surface preparation and oxidation. The shift was characterized in association with the band bending. The origins of the spectral shifts were discussed, including defects at interface and H-passivation in Si. The interface structure is considered to be dependent on the surface preparation and oxidation process.

Positron annihilation in a metal-oxide semiconductor studied by using a pulsed monoenergetic positron beam

NASA Astrophysics Data System (ADS)

Uedono, A.; Wei, L.; Tanigawa, S.; Suzuki, R.; Ohgaki, H.; Mikado, T.; Ohji, Y.

1993-12-01

The positron annihilation in a metal-oxide semiconductor was studied by using a pulsed monoenergetic positron beam. Lifetime spectra of positrons were measured as a function of incident positron energy for a polycrystalline Si(100 nm)/SiO2(400 nm)/Si specimen. Applying a gate voltage between the polycrystalline Si film and the Si substrate, positrons implanted into the specimen were accumulated at the SiO2/Si interface. From the measurements, it was found that the annihilation probability of ortho-positronium (ortho-Ps) drastically decreased at the SiO2/Si interface. The observed inhibition of the Ps formation was attributed to an interaction between positrons and defects at the SiO2/Si interface.

Reliability, Construct Validity and Interpretability of the Brazilian version of the Rapid Upper Limb Assessment (RULA) and Strain Index (SI).

PubMed

Valentim, Daniela Pereira; Sato, Tatiana de Oliveira; Comper, Maria Luiza Caíres; Silva, Anderson Martins da; Boas, Cristiana Villas; Padula, Rosimeire Simprini

There are very few observational methods for analysis of biomechanical exposure available in Brazilian-Portuguese. This study aimed to cross-culturally adapt and test the measurement properties of the Rapid Upper Limb Assessment (RULA) and Strain Index (SI). The cross-cultural adaptation and measurement properties test were established according to Beaton et al. and COSMIN guidelines, respectively. Several tasks that required static posture and/or repetitive motion of upper limbs were evaluated (n>100). The intra-raters' reliability for the RULA ranged from poor to almost perfect (k: 0.00-0.93), and SI from poor to excellent (ICC 2.1 : 0.05-0.99). The inter-raters' reliability was very poor for RULA (k: -0.12 to 0.13) and ranged from very poor to moderate for SI (ICC 2.1 : 0.00-0.53). The agreement was good for RULA (75-100% intra-raters, and 42.24-100% inter-raters) and to SI (EPM: -1.03% to 1.97%; intra-raters, and -0.17% to 1.51% inter-raters). The internal consistency was appropriate for RULA (α=0.88), and low for SI (α=0.65). Moderate construct validity were observed between RULA and SI, in wrist/hand-wrist posture (rho: 0.61) and strength/intensity of exertion (rho: 0.39). The adapted versions of the RULA and SI presented semantic and cultural equivalence for the Brazilian Portuguese. The RULA and SI had reliability estimates ranged from very poor to almost perfect. The internal consistency for RULA was better than the SI. The correlation between methods was moderate only of muscle request/movement repetition. Previous training is mandatory to use of observations methods for biomechanical exposure assessment, although it does not guarantee good reproducibility of these measures. Copyright © 2017 Associação Brasileira de Pesquisa e Pós-Graduação em Fisioterapia. Publicado por Elsevier Editora Ltda. All rights reserved.

Strained multilayer structures with pseudomorphic GeSiSn layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Timofeev, V. A., E-mail: Vyacheslav.t@isp.nsc.ru; Nikiforov, A. I.; Tuktamyshev, A. R.

2016-12-15

The temperature and composition dependences of the critical thickness of the 2D–3D transition for a GeSiSn film on Si(100) have been studied. The regularities of the formation of multilayer structures with pseudomorphic GeSiSn layers directly on a Si substrate, without relaxed buffer layers, were investigated for the first time. The possibility of forming multilayer structures based on pseudomorphic GeSiSn layers has been shown and the lattice parameters have been determined using transmission electron microscopy. The grown structures demonstrate photoluminescence for Sn contents from 3.5 to 5% in GeSiSn layers.

Directional Etching of Silicon by Silver Nanostructures

NASA Astrophysics Data System (ADS)

Sharma, Pradeep; Wang, Yuh-Lin

2011-02-01

We report directional etching of nanostructures (nanochannels and nanotrenches) into the Si(100) substrates in aqueous HF and H2O2 solution by lithographically defined Ag patterns (nanoparticles, nanorods, and nanorings). The Effect of Ag/Si interface oxide on the directional etching has been studied by etching Ag/SiOx/Si samples of known interface oxide thickness. Based on high resolution transmission electron microscopy (HRTEM) imaging and TEM-energy dispersive X-ray (EDX) spectra of the Ag/Si interfaces, we propose that maintenance of the sub-nanometer oxide at the Ag/Si interfaces and Ag-Si interaction are the key factors which regulate the directional etching of Si.

Chemoselective Hydrogenation with Supported Organoplatinum(IV) Catalyst on Zn(II)-Modified Silica

DOE Office of Scientific and Technical Information (OSTI.GOV)

Camacho-Bunquin, Jeffrey; Ferrandon, Magali; Sohn, Hyuntae

Well-defined organoplatinum(IV) sites were grafted on a Zn(II)-modified SiO2 support via surface organometallic chemistry in toluene at room temperature. Solid-state spectroscopies including XAS, DRIFTS, DRUV-Vis, and solid-state (SS)NMR enhanced by dynamic nuclear polarization (DNP), as well as TPR-H2 and TEM techniques revealed highly dispersed (methylcyclopentadi-enyl)methylplatinum(IV) sites on the surface ((MeCp)PtMe/Zn/SiO2, 1). In addition, computational modelling suggests that the surface reaction of (MeCp)PtMe3 with Zn(II)-modified SiO2 support is thermodynamically favorable (ΔG = -12.4 kcal/mol), likely due to the increased acidity of the hydroxyl group, as confirmed by NH3-TPD and DNP-enhanced 17O{1H} SSNMR. In situ DRIFTS and XAS hydrogenation experiments reveal themore » formation of a surface Pt(IV)-H upon hydrogenolysis of Pt-Me groups. The heterogenized organoplatinum(IV)-H sites catalyze the selective partial hydrogenation of 1,3-butadiene to butenes (up to 95%) and the reduction of nitrobenzene derivatives to anilines (up to 100%) with excellent tolerance of reduction-sensitive func-tional groups (olefin, carbonyl, nitrile, halogens) under mild reaction conditions.« less

Diadenosine tetraphosphate induces tight junction disassembly thus increasing corneal epithelial permeability.

PubMed

Loma, P; Guzman-Aranguez, A; Pérez de Lara, M J; Pintor, J

2015-02-01

Here, we have studied the effects of the dinucleotide P(1), P(4)-Di (adenosine-5') tetraphosphate (Ap4 A) on corneal barrier function conferred by the tight junction (TJ) proteins and its possible involvement in ocular drug delivery and therapeutic efficiency. Experiments in vitro were performed using human corneal epithelial cells (HCLEs) treated with Ap4 A (100 μM) for 5 min. Western blot analysis and transepithelial electrical resistance (TEER) were performed to study the TJ protein levels and barrier function respectively. Intracellular pathways involved were determined using an ERK inhibitor and P2Y(2) receptor siRNAs. In in vivo assays with New Zealand rabbits, TJ integrity was examined by zonula occludens-1 (ZO-1) staining. The hypotensive compound 5-methoxycarbonylamino-N-acetyltryptamine (5-MCA-NAT) was used to assess improved delivery, measuring its levels by HPLC and measuring intraocular pressure using 5-MCA-NAT, P2Y receptor antagonists and P2Y2 siRNAs. Two hours after Ap4 A pretreatment, TJ protein levels in HCLE cells were reduced around 40% compared with control. TEER values were significantly reduced at 2 and 4 h (68 and 52% respectively). TJ reduction and ERK activation were blocked by the ERK inhibitor U012 and P2Y(2) siRNAs. In vivo, topical application of Ap4 A disrupted ZO-1 membrane distribution. 5-MCA-NAT levels in the aqueous humour were higher when Ap4 A was previously instilled and its hypotensive effect was also increased. This action was reversed by P2Y receptor antagonists and P2Y(2) siRNA. Ap4 A increased corneal epithelial barrier permeability. Its application could improve ocular drug delivery and consequently therapeutic efficiency. © 2014 The British Pharmacological Society.

Top-down nanofabrication of silicon nanoribbon field effect transistor (Si-NR FET) for carcinoembryonic antigen detection.

PubMed

Bao, Zengtao; Sun, Jialin; Zhao, Xiaoqian; Li, Zengyao; Cui, Songkui; Meng, Qingyang; Zhang, Ye; Wang, Tong; Jiang, Yanfeng

2017-01-01

Sensitive and quantitative detection of tumor markers is highly required in the clinic for cancer diagnosis and consequent treatment. A field-effect transistor-based (FET-based) nanobiosensor emerges with characteristics of being label-free, real-time, having high sensitivity, and providing direct electrical readout for detection of biomarkers. In this paper, a top-down approach is proposed and implemented to fulfill a novel silicon nano-ribbon FET, which acts as biomarker sensor for future clinical application. Compared with the bottom-up approach, a top-down fabrication approach can confine width and length of the silicon FET precisely to control its electrical properties. The silicon nanoribbon (Si-NR) transistor is fabricated on a Silicon-on-Insulator (SOI) substrate by a top-down approach with complementary metal oxide semiconductor (CMOS)-compatible technology. After the preparation, the surface of Si-NR is functionalized with 3-aminopropyltriethoxysilane (APTES). Glutaraldehyde is utilized to bind the amino terminals of APTES and antibody on the surface. Finally, a microfluidic channel is integrated on the top of the device, acting as a flowing channel for the carcinoembryonic antigen (CEA) solution. The Si-NR FET is 120 nm in width and 25 nm in height, with ambipolar electrical characteristics. A logarithmic relationship between the changing ratio of the current and the CEA concentration is measured in the range of 0.1-100 ng/mL. The sensitivity of detection is measured as 10 pg/mL. The top-down fabricated biochip shows feasibility in direct detecting of CEA with the benefits of real-time, low cost, and high sensitivity as a promising biosensor for tumor early diagnosis.

Role of Al in Zn bath on the formation of the inhibition layer during hot-dip galvanizing for a 1.2Si-1.5Mn transformation-induced plasticity steel

NASA Astrophysics Data System (ADS)

Wang, Kuang-Kuo; Hsu, Chiung-Wen; Chang, Liuwen; Gan, Dershin; Yang, Kuo-Cheng

2013-11-01

This study investigated the interaction between the Al in the Zn bath and the surface oxides formed by selective oxidation on a 1.2Si-1.5Mn TRIP steel during hot-dip galvanizing. XPS and TEM were employed for characterization. The results indicated that the amorphous xMnO·SiO2 oxide could react with Al to form a Si-Mn-Al-containing oxide. The crystalline MnSiO3 and Mn2SiO4 oxides could be largely reduced by Al to form holes in the oxide film. Consequently, the steel covered by a layer of mixed xMnO·SiO2 and MnSiO3 could form a continuous Fe2Al5 inhibition layer and showed the highest galvanizability among the three samples examined.

Isolated oxygen defects in 3C- and 4H-SiC: A theoretical study

NASA Astrophysics Data System (ADS)

Gali, A.; Heringer, D.; Deák, P.; Hajnal, Z.; Frauenheim, Th.; Devaty, R. P.; Choyke, W. J.

2002-09-01

Ab initio calculations in the local-density approximation have been carried out in SiC to determine the possible configurations of the isolated oxygen impurity. Equilibrium geometry and occupation levels were calculated. Substitutional oxygen in 3C-SiC is a relatively shallow effective mass like double donor on the carbon site (OC) and a hyperdeep double donor on the Si site (OSi). In 4H-SiC OC is still a double donor but with a more localized electron state. In 3C-SiC OC is substantially more stable under any condition than OSi or interstitial oxygen (Oi). In 4H-SiC OC is also the most stable one except for heavy n-type doping. We propose that OC is at the core of the electrically active oxygen-related defect family found by deep level transient spectroscopy in 4H-SiC. The consequences of the site preference of oxygen on the SiC/SiO2 interface are discussed.

Metal-semiconductor interfacial reactions - Ni/Si system

NASA Technical Reports Server (NTRS)

Cheung, N. W.; Grunthaner, P. J.; Grunthaner, F. J.; Mayer, J. W.; Ullrich, B. M.

1981-01-01

X-ray photoelectron spectroscopy and channeling measurements with MeV He-4(+) ions have been used to probe the structure of the interface in the Ni/Si system. It is found that reactions occur where Ni is deposited on Si at 10 to the -10th torr: Si atoms are displaced from lattice sites, the Ni atoms are in an Si-rich environment, and the Ni/Si interface is graded in composition. Composition gradients are present at both interfaces in the Si/Ni2/Si/Ni system. For the Ni-Si system, cooling the substrate to 100 K slows down the reaction rate. The temperature dependence of the interfacial reactivity indicates the kinetic nature of metal-semiconductor interfaces.

The central pattern generator underlying swimming in Dendronotus iris: a simple half-center network oscillator with a twist.

PubMed

Sakurai, Akira; Katz, Paul S

2016-10-01

The nudibranch mollusc, Dendronotus iris, swims by rhythmically flexing its body from left to right. We identified a bilaterally represented interneuron, Si3, that provides strong excitatory drive to the previously identified Si2, forming a half-center oscillator, which functions as the central pattern generator (CPG) underlying swimming. As with Si2, Si3 inhibited its contralateral counterpart and exhibited rhythmic bursts in left-right alternation during the swim motor pattern. Si3 burst almost synchronously with the contralateral Si2 and was coactive with the efferent impulse activity in the contralateral body wall nerve. Perturbation of bursting in either Si3 or Si2 by current injection halted or phase-shifted the swim motor pattern, suggesting that they are both critical CPG members. Neither Si2 nor Si3 exhibited endogenous bursting properties when activated alone; activation of all four neurons was necessary to initiate and maintain the swim motor pattern. Si3 made a strong excitatory synapse onto the contralateral Si2 to which it is also electrically coupled. When Si3 was firing tonically but not exhibiting bursting, artificial enhancement of the Si3-to-Si2 synapse using dynamic clamp caused all four neurons to burst. In contrast, negation of the Si3-to-Si2 synapse by dynamic clamp blocked ongoing swim motor patterns. Together, these results suggest that the Dendronotus swim CPG is organized as a "twisted" half-center oscillator in which each "half" is composed of two excitatory-coupled neurons from both sides of the brain, each of which inhibits its contralateral counterpart. Consisting of only four neurons, this is perhaps the simplest known network oscillator for locomotion. Copyright © 2016 the American Physiological Society.

Sub-15 femtosecond laser-induced nanostructures emerging on Si(100) surfaces immersed in water: analysis of structural phases

NASA Astrophysics Data System (ADS)

Straub, M.; Schüle, M.; Afshar, M.; Feili, D.; Seidel, H.; König, K.

2014-04-01

Nanoscale periodic rifts and subwavelength ripples as well as randomly nanoporous surface structures were generated on Si(100) surfaces immersed in water by tightly focused high-repetition rate sub-15 femtosecond sub-nanojoule pulsed Ti:sapphire laser light. Subsequent to laser processing, silicon oxide nanoparticles, which originated from a reaction of ablated silicon with water and aggregated on the exposed areas, were etched off by hydrofluoric acid. The structural phases of the three types of silicon nanostructures were investigated by transmission electron microscopy diffraction images recorded on focused ion beam sections. On nanorift patterns, which were produced at radiant exposure extremely close to the ablation threshold, only the ideal Si-I phase at its original bulk orientation was observed. Electron diffraction micrographs of periodic ripples, which were generated at slightly higher radiant exposure, revealed a compression of Si-I in the vertical direction by 6 %, which is attributed to recoil pressure acting during ablation. However, transitions to the high-pressure phase Si-II, which implies compression in the same direction at pressures in excess of 10 GPa, to the metastable phases Si-III or Si-IV that arise from Si-II on pressure relief or to other high-pressure phases (Si-V-Si-XII) were not observed. The nanoporous surfaces featured Si-I material with grains of resolidified silicon occurring at lattice orientations different from the bulk. Characteristic orientational relationships as well as small-angle grain boundaries reflected the rapid crystal growth on the substrate.

Surface damage studies of ETFE polymer bombarded with low energy Si ions (⩽100 keV)

NASA Astrophysics Data System (ADS)

Minamisawa, Renato Amaral; Almeida, Adelaide De; Budak, Satilmis; Abidzina, Volha; Ila, Daryush

2007-08-01

Surface studies of ethylenetetrafluoroethylene (ETFE), bombarded with Si in a high-energy tandem Pelletron accelerator, have recently been reported. Si ion bombardment with a few MeV to a few hundred keV energies was shown to be sufficient to produce damage on ETFE film. We report here the use of a low energy implanter with Si ion energies lower than 100 keV, to induce changes on ETFE films. In order to determine the radiation damage, ETFE bombarded films were simulated with SRIM software and analyzed with optical absorption photometry (OAP), Raman and Fourier transform infrared-attenuated total reflectance (FTIR-ATR) spectroscopy to show quantitatively the physical and chemical property changes. Carbonization occurs following higher dose implantation, and hydroperoxides were formed following dehydroflorination of the polymer.

Enhancement of optical absorption of Si (100) surfaces by low energy N+ ion beam irradiation

NASA Astrophysics Data System (ADS)

Bhowmik, Dipak; Karmakar, Prasanta

2018-05-01

The increase of optical absorption efficiency of Si (100) surface by 7 keV and 8 keV N+ ions bombardment has been reported here. A periodic ripple pattern on surface has been observed as well as silicon nitride is formed at the ion impact zones by these low energy N+ ion bombardment [P. Karmakar et al., J. Appl. Phys. 120, 025301 (2016)]. The light absorption efficiency increases due to the presence of silicon nitride compound as well as surface nanopatterns. The Atomic Force Microscopy (AFM) study shows the formation of periodic ripple pattern and increase of surface roughness with N+ ion energy. The enhancement of optical absorption by the ion bombarded Si, compared to the bare Si have been measured by UV - visible spectrophotometer.

Mechanism for Si-Si Bond Rupture in Single Molecule Junctions.

PubMed

Li, Haixing; Kim, Nathaniel T; Su, Timothy A; Steigerwald, Michael L; Nuckolls, Colin; Darancet, Pierre; Leighton, James L; Venkataraman, Latha

2016-12-14

The stability of chemical bonds can be studied experimentally by rupturing single molecule junctions under applied voltage. Here, we compare voltage-induced bond rupture in two Si-Si backbones: one has no alternate conductive pathway whereas the other contains an additional naphthyl pathway in parallel to the Si-Si bond. We show that in contrast to the first system, the second can conduct through the naphthyl group when the Si-Si bond is ruptured using an applied voltage. We investigate this voltage induced Si-Si bond rupture by ab initio density functional theory calculations and molecular dynamics simulations that ultimately demonstrate that the excitation of molecular vibrational modes by tunneling electrons leads to homolytic Si-Si bond rupture.

On the origin of high ionic conductivity in Na-doped SrSiO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chien, Po-Hsiu; Jee, Youngseok; Huang, Chen

Understanding the local structure and ion dynamics is at the heart of ion conductor research. This paper reports on high-resolution solid-state 29Si, 23Na, and 17O NMR investigation of the structure, chemical composition, and ion dynamics of a newly discovered fast ion conductor, Na-doped SrSiO 3, which exhibited a much higher ionic conductivity than most of current oxide ion conductors. Quantitative analyses reveal that with a small dose (<10 mol%) of Na, the doped Na integrates into the SrSiO 3 structure to form Na xSr 1-xSiO 3-0.5x, and with >10 mol% Na doping, phase separation occurs, leading to the formation ofmore » an amorphous phase β-Na 2Si 2O 5 and a crystalline Sr-rich phase. Variable-temperature 23Na and 17O magic-angle-spinning NMR up to 618 °C have shown significant changes in Na ion dynamics at high temperatures but little oxide ion motion, suggesting that Na ions are responsible for the observed high ionic conductivity. In addition, β-Na 2Si 2O 5 starts to crystallize at temperatures higher than 480 °C with prolonged heating, resulting in reduction in Na+ motion, and thus degradation of ionic conductivity. This study has contributed critical evidence to the understanding of ionic conduction in Na-doped SrSiO 3 and demonstrated that multinuclear high-resolution and high-temperature solid-state NMR is a uniquely useful tool for investigating ion conductors at their operating conditions.« less

On the origin of high ionic conductivity in Na-doped SrSiO 3

DOE PAGES

Chien, Po-Hsiu; Jee, Youngseok; Huang, Chen; ...

2016-02-17

Understanding the local structure and ion dynamics is at the heart of ion conductor research. This paper reports on high-resolution solid-state 29Si, 23Na, and 17O NMR investigation of the structure, chemical composition, and ion dynamics of a newly discovered fast ion conductor, Na-doped SrSiO 3, which exhibited a much higher ionic conductivity than most of current oxide ion conductors. Quantitative analyses reveal that with a small dose (<10 mol%) of Na, the doped Na integrates into the SrSiO 3 structure to form Na xSr 1-xSiO 3-0.5x, and with >10 mol% Na doping, phase separation occurs, leading to the formation ofmore » an amorphous phase β-Na 2Si 2O 5 and a crystalline Sr-rich phase. Variable-temperature 23Na and 17O magic-angle-spinning NMR up to 618 °C have shown significant changes in Na ion dynamics at high temperatures but little oxide ion motion, suggesting that Na ions are responsible for the observed high ionic conductivity. In addition, β-Na 2Si 2O 5 starts to crystallize at temperatures higher than 480 °C with prolonged heating, resulting in reduction in Na+ motion, and thus degradation of ionic conductivity. This study has contributed critical evidence to the understanding of ionic conduction in Na-doped SrSiO 3 and demonstrated that multinuclear high-resolution and high-temperature solid-state NMR is a uniquely useful tool for investigating ion conductors at their operating conditions.« less

On the existence of a high-temperature polymorph of Na2Ca6Si4O15—implications for the phase equilibria in the system Na2O-CaO-SiO2

NASA Astrophysics Data System (ADS)

Kahlenberg, Volker; Maier, Matthias

2016-12-01

Singe crystals of a new high-temperature polymorph of Na2Ca6Si4O15 have been obtained from solid state reactions performed at 1300 °C. The basic crystallographic data of this so-called β-phase at ambient conditions are as follows: space group P1 c1, a = 9.0112(5) Å, b = 7.3171(5) Å, c = 10.9723(6) Å, β = 107.720(14)°, V = 689.14(7) Å3, Z = 2. The crystals showed twinning by reticular merohedry (mimicking an orthorhombic C-centred unit cell) which was accounted for during data processing and structure solution. Structure determination was accomplished by direct methods. Least-squares refinements resulted in a residual of R(|F|) = 0.043 for 5811 observed reflections with I > 2σ(I). From a structural point of view β-Na2Ca6Si4O15 can be attributed to the group of mixed-anion silicates containing [Si2O7]-dimers as well as isolated [SiO4]-tetrahedra in the ratio 1:2, i.e. more precisely the formula can be written as Na2Ca6[SiO4]2[Si2O7]. The tetrahedral groups are arranged in layers parallel to (100). Sodium and calcium cations are located between the silicate anions for charge compensation and are coordinated by six to eight nearest oxygen ligands. Alternatively, the structure can be described as a mixed tetrahedral-octahedral framework based on kröhnkite-type [Ca(SiO4)2O2]-chains in which the CaO6-octahedra are corner-linked to bridging SiO4-tetrahedra. The infinite chains are running parallel to [001] and are concentrated in layers parallel to (010). Adjacent layers are shifted relative to each other by an amount of +δ or -δ along a*. Consequently, a …ABABAB… stacking sequence is created. A detailed comparison with related structures such as α-Na2Ca6Si4O15 and other A2B6Si4O15 representatives including topological as well as group theoretical aspects is presented. There are strong indications that monoclinic Na2Ca3Si2O8 mentioned in earlier studies is actually misinterpreted β-Na2Ca6Si4O15. In addition to the detailed crystallographic analysis of the previously unknown compound our results will also help to improve the interpretation of the phase relationships between the compounds in the ternary system Na2O-CaO-SiO2 which are of interest for several applications related to the field of applied mineralogy and materials science.

Polycation-Functionalized Nanoporous Silicon Particles for Gene Silencing on Breast Cancer Cells

PubMed Central

Zhang, Mingzhen; Xu, Rong; Xia, Xiaojun; Yang, Yong; Gu, Jianhua; Qin, Guoting; Liu, Xuewu; Ferrari, Mauro; Shen, Haifa

2013-01-01

Nanoporous silicon particles (pSi), with a pore size in the range of 20~60 nm, were modified with polyethyleimine (PEI) to yield pSi-PEI particles, which were subsequently complexed with siRNA. Thus, pSi-PEI/siRNA particles were fabricated, with the PEI/siRNA nanocomplexes mainly anchored inside the nanopore of the pSi particles. These hybrid particles were used as carriers to deliver siRNA to human breast cancer cells. Due to the gradual degradation of the pSi matrix under physiological conditions, the PEI/siRNA nanocomplexes were released from the pore interior in a sustained manner. Physicochemical characterization revealed that the released PEI/siRNA nanocomplexes exhibited well-defined spherical shape and narrow particle size distribution between 15 and 30 nm. Gene knockdown against the ataxia telangiectasia mutated (ATM) cancer gene showed dramatic gene silencing efficacy. Moreover, comprehensive biocompatibility studies were performed for the pSi-PEI/siRNA particles both in vitro and in vivo and demonstrated that the pSi-PEI particles exhibited significantly enhanced biocompatibility. As a consequence, PEI-modified porous silicon particles may have substantial potential as safe and effective siRNA delivery systems. PMID:24103653

Distraction, Compression, Extension, and Reduction Combined With Joint Remodeling and Extra-articular Distraction: Description of 2 New Modifications for Its Application in Basilar Invagination and Atlantoaxial Dislocation: Prospective Study in 79 Cases.

PubMed

Chandra, P Sarat; Prabhu, Manik; Goyal, Nishant; Garg, Ajay; Chauhan, Avnish; Sharma, Bhawani Shankar

2015-07-01

Recent strategies for treatment of basilar invagination (BI) and atlantoaxial dislocation (AAD) are based on simultaneous posterior reduction and fixation. To describe new modifications of the procedure distraction, compression, extension, and reduction (DCER), ie, joint remodeling (JRM) and extra-articular distraction (EAD) in patients with "vertical" joints, and to quantify the improvement in joint indices, ie, sagittal inclination (SI), craniocervical tilt (CCT), and coronal inclination. Prospective study (May 2010 to September 2014). Joint indices measured included (normal values): SI (87.15 ± 5.65°), CCT (60.2 ± 9.2°), and coronal inclination (110.3 ± 4.23°). Surgical procedures included DCER alone (performed in SI <100°, group I) or JRM with DCER (in SI: 100-160°, group II), or EAD with DCER in severe BI with almost vertical joints (SI >160°, group III). Seventy-nine patients were selected (mean, 22.5 years of age). All conventional indices improved significantly (P < .001). CCT improved in all groups (P < .01); group I (n = 32): 54 ± 8.7° (preoperative 80.71 ± 12.72°); group II (n = 40): 58 ± 7.0° (preoperative 86.5 ± 14°); group III (n = 7): 62 ± 10.0° (preoperative 104 ± 11.2°). SI improved in both group I and II, P < .01 (cannot be measured in group III). At long-term follow-up (n = 64, 29 ± 8 months, range 12-39 months), the Nurick grade improved to 1.5 ± 0.52 (preoperative: 3.4 ± 0.65; P < .001). DCER seems to be an effective technique in reducing both BI and AAD. JRM and EAD with DCER are useful in moderate to severe BI and AAD (with SI >100°). Joint indices provide useful information for surgical strategy and planning.

Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions

PubMed Central

Fratanduono, Dayne E.; Coppari, Federica; Newman, Matthew G.; Duffy, Thomas S.

2018-01-01

The high-pressure behavior of Fe alloys governs the interior structure and dynamics of super-Earths, rocky extrasolar planets that could be as much as 10 times more massive than Earth. In experiments reaching up to 1300 GPa, we combine laser-driven dynamic ramp compression with in situ x-ray diffraction to study the effect of composition on the crystal structure and density of Fe-Si alloys, a potential constituent of super-Earth cores. We find that Fe-Si alloy with 7 weight % (wt %) Si adopts the hexagonal close-packed structure over the measured pressure range, whereas Fe-15wt%Si is observed in a body-centered cubic structure. This study represents the first experimental determination of the density and crystal structure of Fe-Si alloys at pressures corresponding to the center of a ~3–Earth mass terrestrial planet. Our results allow for direct determination of the effects of light elements on core radius, density, and pressures for these planets. PMID:29707632

Modeling of amorphous SiCxO6/5 by classical molecular dynamics and first principles calculations.

PubMed

Liao, Ningbo; Zhang, Miao; Zhou, Hongming; Xue, Wei

2017-02-14

Polymer-derived silicon oxycarbide (SiCO) presents excellent performance for high temperature and lithium-ion battery applications. Current experiments have provided some information on nano-structure of SiCO, while it is very challenging for experiments to take further insight into the molecular structure and its relationship with properties of materials. In this work, molecular dynamics (MD) based on empirical potential and first principle calculation were combined to investigate amorphous SiC x O 6/5 ceramics. The amorphous structures of SiCO containing silicon-centered mix bond tetrahedrons and free carbon were successfully reproduced. The calculated radial distribution, angular distribution and Young's modulus were validated by current experimental data, and more details on molecular structure were discussed. The change in the slope of Young's modulus is related to the glass transition temperature of the material. The proposed modeling approach can be used to predict the properties of SiCO with different compositions.

Modeling of amorphous SiCxO6/5 by classical molecular dynamics and first principles calculations

NASA Astrophysics Data System (ADS)

Liao, Ningbo; Zhang, Miao; Zhou, Hongming; Xue, Wei

2017-02-01

Polymer-derived silicon oxycarbide (SiCO) presents excellent performance for high temperature and lithium-ion battery applications. Current experiments have provided some information on nano-structure of SiCO, while it is very challenging for experiments to take further insight into the molecular structure and its relationship with properties of materials. In this work, molecular dynamics (MD) based on empirical potential and first principle calculation were combined to investigate amorphous SiCxO6/5 ceramics. The amorphous structures of SiCO containing silicon-centered mix bond tetrahedrons and free carbon were successfully reproduced. The calculated radial distribution, angular distribution and Young’s modulus were validated by current experimental data, and more details on molecular structure were discussed. The change in the slope of Young’s modulus is related to the glass transition temperature of the material. The proposed modeling approach can be used to predict the properties of SiCO with different compositions.

Local epitaxial growth of ZrO2 on Ge (100) substrates by atomic layer epitaxy

NASA Astrophysics Data System (ADS)

Kim, Hyoungsub; Chui, Chi On; Saraswat, Krishna C.; McIntyre, Paul C.

2003-09-01

High-k dielectric deposition processes for gate dielectric preparation on Si surfaces usually result in the unavoidable and uncontrolled formation of a thin interfacial oxide layer. Atomic layer deposition of ˜55-Å ZrO2 film on a Ge (100) substrate using ZrCl4 and H2O at 300 °C was found to produce local epitaxial growth [(001) Ge//(001) ZrO2 and [100] Ge//[100] ZrO2] without a distinct interfacial layer, unlike the situation observed when ZrO2 is deposited using the same method on Si. Relatively large lattice mismatch (˜10%) between ZrO2 and Ge produced a high areal density of interfacial misfit dislocations. Large hysteresis (>200 mV) and high frequency dispersion were observed in capacitance-voltage measurements due to the high density of interface states. However, a low leakage current density, comparable to values obtained on Si substrates, was observed with the same capacitance density regardless of the high defect density.

Strain and in-plane orientation effects on the ferroelectricity of (111)-oriented tetragonal Pb(Zr0.35Ti0.65)O3 thin films prepared by metal organic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Kuwabara, Hiroki; Menou, Nicolas; Funakubo, Hiroshi

2007-05-01

The growth and characterization of epitaxial (111)-oriented Pb(Zr0.35Ti0.65)O3 films deposited by metal organic chemical vapor deposition on (100)-oriented silicon substrates [(111)SrRuO3‖(111)Pt ‖(100)yttria-stabilizedzirconia‖(100)Si] are reported. The orientation, microstructure, and electric properties of these films are compared to those of fiber-textured highly (111)-oriented lead zirconate titanate (PZT) films deposited on (111)SrRuO3/(111)Pt/TiOx/SiO2/(100)Si substrates and epitaxial (111)-oriented PZT films deposited on (111)SrRuO3‖(111)SrTiO3 substrates. The ferroelectric properties of these films are not drastically influenced by the in-plane orientation of the film and by the strain state imposed by the underlying substrate. These results support the use of fiber-textured highly (111)-oriented films in highly stable ferroelectric capacitors.

Effects of lithium insertion on thermal conductivity of silicon nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Wen; Institute of High Performance Computing, A*STAR, Singapore, Singapore 138632; Zhang, Gang, E-mail: zhangg@ihpc.a-star.edu.sg

2015-04-27

Recently, silicon nanowires (SiNWs) have been applied as high-performance Li battery anodes, since they can overcome the pulverization and mechanical fracture during lithiation. Although thermal stability is one of the most important parameters that determine safety of Li batteries, thermal conductivity of SiNWs with Li insertion remains unclear. In this letter, using molecular dynamics simulations, we study room temperature thermal conductivity of SiNWs with Li insertion. It is found that compared with the pristine SiNW, there is as much as 60% reduction in thermal conductivity with 10% concentration of inserted Li atoms, while under the same impurity concentration the reductionmore » in thermal conductivity of the mass-disordered SiNW is only 30%. With lattice dynamics calculations and normal mode decomposition, it is revealed that the phonon lifetimes in SiNWs decrease greatly due to strong scattering of phonons by vibrational modes of Li atoms, especially for those high frequency phonons. The observed strong phonon scattering phenomenon in Li-inserted SiNWs is similar to the phonon rattling effect. Our study serves as an exploration of thermal properties of SiNWs as Li battery anodes or weakly coupled with impurity atoms.« less

Surface Damage Mechanism of Monocrystalline Si Under Mechanical Loading

NASA Astrophysics Data System (ADS)

Zhao, Qingliang; Zhang, Quanli; To, Suet; Guo, Bing

2017-03-01

Single-point diamond scratching and nanoindentation on monocrystalline silicon wafer were performed to investigate the surface damage mechanism of Si under the contact loading. The results showed that three typical stages of material removal appeared during dynamic scratching, and a chemical reaction of Si with the diamond indenter and oxygen occurred under the high temperature. In addition, the Raman spectra of the various points in the scratching groove indicated that the Si-I to β-Sn structure (Si-II) and the following β-Sn structure (Si-II) to amorphous Si transformation appeared under the rapid loading/unloading condition of the diamond grit, and the volume change induced by the phase transformation resulted in a critical depth (ductile-brittle transition) of cut (˜60 nm ± 15 nm) much lower than the theoretical calculated results (˜387 nm). Moreover, it also led to abnormal load-displacement curves in the nanoindentation tests, resulting in the appearance of elbow and pop-out effects (˜270 nm at 20 s, 50 mN), which were highly dependent on the loading/unloading conditions. In summary, phase transformation of Si promoted surface deformation and fracture under both static and dynamic mechanical loading.

Effects of lithium insertion on thermal conductivity of silicon nanowires

NASA Astrophysics Data System (ADS)

Xu, Wen; Zhang, Gang; Li, Baowen

2015-04-01

Recently, silicon nanowires (SiNWs) have been applied as high-performance Li battery anodes, since they can overcome the pulverization and mechanical fracture during lithiation. Although thermal stability is one of the most important parameters that determine safety of Li batteries, thermal conductivity of SiNWs with Li insertion remains unclear. In this letter, using molecular dynamics simulations, we study room temperature thermal conductivity of SiNWs with Li insertion. It is found that compared with the pristine SiNW, there is as much as 60% reduction in thermal conductivity with 10% concentration of inserted Li atoms, while under the same impurity concentration the reduction in thermal conductivity of the mass-disordered SiNW is only 30%. With lattice dynamics calculations and normal mode decomposition, it is revealed that the phonon lifetimes in SiNWs decrease greatly due to strong scattering of phonons by vibrational modes of Li atoms, especially for those high frequency phonons. The observed strong phonon scattering phenomenon in Li-inserted SiNWs is similar to the phonon rattling effect. Our study serves as an exploration of thermal properties of SiNWs as Li battery anodes or weakly coupled with impurity atoms.

III-Nitride, SiC and Diamond Materials for Electronic Devices. Symposium Held April 8-12 1996, San Francisco, California, U.S.A. Volume 423.

DTIC Science & Technology

1996-12-01

gallium, nitrogen and gallium nitride structures. Thus it can be shown to be transferable and efficient for predictive molecular -dynamic simulations on...potentials and forces for the molecular dynamics simulations are derived by means of a density-functional based nonorthogonal tight-binding (DF-TB) scheme...LDA). Molecular -dynamics simulations for determining the different reconstructions of the SiC surface use the slab method (two-dimensional periodic

Long-term landscape change and bird abundance in Amazonian rainforest fragments.

PubMed

Stouffer, Philip C; Bierregaard, Richard O; Strong, Cheryl; Lovejoy, Thomas E

2006-08-01

The rainforests of the Amazon basin are being cut by humans at a rate >20,000 km2/year leading to smaller and more isolated patches of forest, with remaining fragments often in the range of 1-100 ha. We analyzed samples of understory birds collected over 20 years from a standardized mist-netting program in 1- to 100-ha rainforest fragments in a dynamic Amazonian landscape near Manaus, Brazil. Across bird guilds, the condition of second growth immediately surrounding fragments was often as important as fragment size or local forest cover in explaining variation in abundance. Some fragments surrounded by 100 m of open pasture showed reductions in insectivorous bird abundance of over 95%, even in landscapes dominated by continuous forest and old second growth. These extreme reductions may be typical throughout Amazonia in small (< or =10 ha), isolated fragments of rainforest. Abundance for some guilds returned to preisolation levels in 10- and 100-ha fragments connected to continuous forest by 20-year-old second growth. Our results show that the consequences of Amazonian forest loss cannot be accurately described without explicit consideration of vegetation dynamics in matrix habitat. Any dichotomous classification of the landscape into 'forest" and "nonforest" misses essential information about the matrix.

Enhancing the ATIC Charge Resolution

NASA Technical Reports Server (NTRS)

Guzik, T. G.; Adams, J. H., Jr.; Ahn, H. S.; Bashindzhagyan, G. L.; Batkov, K. E.; Chang, J.; Christl, M.; Fazely, A. R.; Ganel, O.; Gunashingha, R. M.

2006-01-01

The Advanced Thin Ionization Calorimeter (ATIC) experiment measures the energy spectra of elements, from H to Fe, in the energy region from about 100 GeV to tens of TeV. The ATIC instrument was flown twice in long-duration balloon flights around the South Pole; the ATIC-1 test flight during Dec. 2000 - Jan. 2001 and the ATIC-2 science flight during Dec. 2002 - Jan. 2003. Analyses of both datasets have, to date, relied upon the highly segmented Silicon Matrix (SiM) detector to separate the incident cosmic ray from the calorimeter backscatter and to identify the charge. This method has worked well, enabling ATIC to separate protons from helium and to resolve all the major species up through iron. This charge resolution can be significantly improved by restricting the analysis to particle trajectories that pass through two SiM pixels at the cost of using only a fraction of the potential instrument geometry. However, immediately below the SiM is the two layer SI hodoscope (x, y) consisting of Bicron BC-408 plastic scintillator 2 cm wide, 1 cm thick, 88.2 cm long strips viewed by Hamamatsu R5611 photomultiplier tubes on each end of each strip. The primary purpose of the ATIC hodoscopes is to provide a fast trigger, and each hodoscope includes two crossed layers of strips (42 per layer in the case of Sl) providing supplemental particle trajectory information. The hodoscope readout electronics were designed to provide reasonable charge resolution over the dynamic range from protons through iron. This presentation discusses the S 1 hodoscope energy deposit calibrations, examines the charge resolution possible with this detector and investigates combining the S1 and SiM charge measurements to improve the overall ATIC charge resolution while minimizing degradation of the instrument geometry.

Secondary ion mass spectrometry study of ex situ annealing of epitaxial GaAs grown on Si substrates

NASA Technical Reports Server (NTRS)

Radhakrishnan, G.; Mccullough, O.; Cser, J.; Katz, J.

1988-01-01

Samples of epitaxial GaAs grown on (100) Si substrates using molecular beam epitaxy were annealed at four different temperatures, from 800 to 950 C. Following annealing, the samples were analyzed using secondary ion mass spectrometry. Depth profiles of Ga, As, and Si reveal optimum conditions for annealing, and place a lower limit on a damage threshold for GaAs/Si substrates.

Toxic Effects of Silica Nanoparticles on Zebrafish Embryos and Larvae

PubMed Central

Shi, Huiqin; Tian, Linwei; Guo, Caixia; Huang, Peili; Zhou, Xianqing; Peng, Shuangqing; Sun, Zhiwei

2013-01-01

Silica nanoparticles (SiNPs) have been widely used in biomedical and biotechnological applications. Environmental exposure to nanomaterials is inevitable as they become part of our daily life. Therefore, it is necessary to investigate the possible toxic effects of SiNPs exposure. In this study, zebrafish embryos were treated with SiNPs (25, 50, 100, 200 µg/mL) during 4–96 hours post fertilization (hpf). Mortality, hatching rate, malformation and whole-embryo cellular death were detected. We also measured the larval behavior to analyze whether SiNPs had adverse effects on larvae locomotor activity. The results showed that as the exposure dosages increasing, the hatching rate of zebrafish embryos was decreased while the mortality and cell death were increased. Exposure to SiNPs caused embryonic malformations, including pericardial edema, yolk sac edema, tail and head malformation. The larval behavior testing showed that the total swimming distance was decreased in a dose-dependent manner. The lower dose (25 and 50 µg/mL SiNPs) produced substantial hyperactivity while the higher doses (100 and 200 µg/mL SiNPs) elicited remarkably hypoactivity in dark periods. In summary, our data indicated that SiNPs caused embryonic developmental toxicity, resulted in persistent effects on larval behavior. PMID:24058598

Spectroscopic ellipsometry of columnar porous Si thin films and Si nanowires

NASA Astrophysics Data System (ADS)

Fodor, Bálint; Defforge, Thomas; Agócs, Emil; Fried, Miklós; Gautier, Gaël; Petrik, Péter

2017-11-01

Columnar mesoporous Si thin films and dense nanowire (SiNW) carpets were investigated by spectroscopic ellipsometry in the visible-near-infrared wavelength range. Porous Si layers were formed by electrochemical etching while structural anisotropy was controlled by the applied current. Layers of highly oriented SiNWs, with length up to 4.1 μm were synthesized by metal-assisted chemical etching. Ellipsometric spectra were fitted with different multi-layered, effective medium approximation-based (EMA) models. Isotropic, in-depth graded, anisotropic and hybrid EMA models were investigated with the help of the root mean square errors obtained from the fits. Ellipsometric-fitted layer thicknesses were also cross-checked by scanning electron microscopy showing an excellent agreement. Furthermore, in the case of mesoporous silicon, characterization also revealed that, at low current densities (<100 mA/cm2), in-depth inhomogeneity shows a more important feature in the ellipsometric spectra than anisotropy. On the other hand, at high current densities (>100 mA/cm2) this behavior turns around, and anisotropy becomes the dominant feature describing the spectra. Characterization of SiNW layers showed a very high geometrical anisotropy. However, the highest fitted geometrical anisotropy was obtained for the layer composed of ∼1 μm long SiNWs indicating that for thicker layers, collapse of the nanowires occurs.

Comparative analysis of the H 2 passivation of interface defects at the {(100) Si}/{SiO 2} interface using electron spin resonance

NASA Astrophysics Data System (ADS)

Stesmans, A.

1996-01-01

The passivation with molecular hydrogen in the range 213-234°C of the interfacial Pb0 and Pb1 defects in {(100) Si}/{SiO 2}, thermally grown at low temperature (<750°C), has been analyzed by K-band electron spin resonance. The passivation kinetics are found to be well described by the same defect-H 2 reaction limited model applying to the interfacial Pb defect (∘SiSi 3) in {(111) Si}/{SiO 2} grown at 850°C. However, unlike Pb, that was typified by a single-valued activation energy for passivation Ea = 1.66 eV, both Pb0 and Pb1 are found to exhibit a Gaussian spread σEa ˜ 0.15 eV around their respective meanEa values, deduced as 1.51 and 1.57 ± 0.3 eV. The similar passivation kinetics are in line with assigning the Pb0 and Pb1 defects, like Pb, to an interfacial unpaired sp3 Si hybrid. However, as there is no fundamental difference between Pb0 and Pb1 regarding passivation in H 2, more specfic identification of Pb with either Pb0 or Pb1 , if any, cannot be concluded.

A tunable sub-100 nm silicon nanopore array with an AAO membrane mask: reducing unwanted surface etching by introducing a PMMA interlayer

NASA Astrophysics Data System (ADS)

Lim, Namsoo; Pak, Yusin; Kim, Jin Tae; Hwang, Youngkyu; Lee, Ryeri; Kumaresan, Yogeenth; Myoung, Nosoung; Ko, Heung Cho; Jung, Gun Young

2015-08-01

Highly ordered silicon (Si) nanopores with a tunable sub-100 nm diameter were fabricated by a CF4 plasma etching process using an anodic aluminum oxide (AAO) membrane as an etching mask. To enhance the conformal contact of the AAO membrane mask to the underlying Si substrate, poly(methyl methacrylate) (PMMA) was spin-coated on top of the Si substrate prior to the transfer of the AAO membrane. The AAO membrane mask was fabricated by two-step anodization and subsequent removal of the aluminum support and the barrier layer, which was then transferred to the PMMA-coated Si substrate. Contact printing was performed on the sample with a pressure of 50 psi and a temperature of 120 °C to make a conformal contact of the AAO membrane mask to the Si substrate. The CF4 plasma etching was conducted to transfer nanopores onto the Si substrate through the PMMA interlayer. The introduced PMMA interlayer prevented unwanted surface etching of the Si substrate by eliminating the etching ions and radicals bouncing at the gap between the mask and the substrate, resulting in a smooth Si nanopore array.Highly ordered silicon (Si) nanopores with a tunable sub-100 nm diameter were fabricated by a CF4 plasma etching process using an anodic aluminum oxide (AAO) membrane as an etching mask. To enhance the conformal contact of the AAO membrane mask to the underlying Si substrate, poly(methyl methacrylate) (PMMA) was spin-coated on top of the Si substrate prior to the transfer of the AAO membrane. The AAO membrane mask was fabricated by two-step anodization and subsequent removal of the aluminum support and the barrier layer, which was then transferred to the PMMA-coated Si substrate. Contact printing was performed on the sample with a pressure of 50 psi and a temperature of 120 °C to make a conformal contact of the AAO membrane mask to the Si substrate. The CF4 plasma etching was conducted to transfer nanopores onto the Si substrate through the PMMA interlayer. The introduced PMMA interlayer prevented unwanted surface etching of the Si substrate by eliminating the etching ions and radicals bouncing at the gap between the mask and the substrate, resulting in a smooth Si nanopore array. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr02786a

Molecular-dynamics simulations of energetic C{sub 60} impacts on (2x1)-(100) silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Xiaoyuan; Albe, Karsten; Averback, Robert S.

2000-07-01

Single impacts of energetic C{sub 60} clusters on (2x1)-(100) silicon substrates are studied by molecular-dynamics simulations. The role of impact energies and internal cluster energy are investigated in detail. Six different energy regimes can be identified at the end of the ballistic phase: At thermal energies below 20 eV the fullerene cages undergo elastic deformation, while impinging on the surface, and are mostly chemisorpted on top of the (2x1)-dimer rows. Between 20 and 100 eV the cage structure is preserved after the collision, but the cluster comes to rest within a few monolayers of the silicon surface. At energies ofmore » 100-500 eV the cluster partially decomposes and small coherent carbon caps are embedded in the surface. At higher energies up to 1.5 keV complete decomposition of the fullerene cluster occurs and an amorphous zone is formed in the subsurface area. At energies greater than approximately 1.5 keV craters form and above 6 keV sputtering becomes significant. In all cases the substrate temperature is of minor influence on the final result, but the projectile temperature is important for impacts at lower energies (<1.5 keV). For high energy impacts the ballistics resemble that of single atom impacts. Nearly 1:1 stoichiometry is obtained for impact energies around 1 keV. These results reveal an interesting possibility for controlled implantation of C in Si at high local concentrations, which might allow the formation of silicon carbide. (c) 2000 American Institute of Physics.« less

Melt infiltration of silicon carbide compacts. I - Study of infiltration dynamics

NASA Technical Reports Server (NTRS)

Asthana, Rajiv; Rohatgi, Pradeep K.

1992-01-01

Countergravity, pressure-assisted infiltration with a 2014 Al alloy of suitably tamped porous compacts of platelet shaped single crystals of alpha (hexagonal) silicon carbide was used to measure particulate wettability and infiltration kinetics under dynamic conditions relevant to pressure casting of composites. A threshold pressure P(th) for ingression of the infiltrant was identified based on the experimental penetration length versus pressure profiles for a range of experimental variables which included infiltration pressure, infiltration time, SiC size and SiC surface chemistry. The results showed that P(th) decreased whereas the penetration length increased with increasing SiC size and infiltration time. Cu-coated SiC led to lower P(th) and larger penetration lengths compared to uncoated SiC under identical conditions. These observations have been discussed in the light of theoretical models of infiltration and the kinetics of wetting.

Inelastic neutron scattering study of phonon density of states in nanostructured Si1 xGex thermoelectrics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dhital, Chetan; Abernathy, Douglas L; Zhu, Gaohua

2012-01-01

Inelastic neutron scattering measurements are utilized to explore relative changes in the generalized phonon density of states of nanocrystalline Si1 xGex thermoelectric materials prepared via ball-milling and hot-pressing techniques. Dynamic signatures of Ge clustering can be inferred from the data by referencing the resulting spectra to a density functional theoretical model assuming homogeneous alloying via the virtual-crystal approximation. Comparisons are also presented between as-milled Si nanopowder and bulk, polycrystalline Si where a preferential low-energy enhancement and lifetime broadening of the phonon density of states appear in the nanopowder. Negligible differences are however observed between the phonon spectra of bulk Simore » andhot-pressed, nanostructured Si samples suggesting that changes to the single-phonon dynamics above 4 meV play only a secondary role in the modified heat conduction of this compound.« less

Measurement of the absorption cross sections of SiCl4, SiCl3, SiCl2 and Cl at H Lyman-α wavelength

NASA Astrophysics Data System (ADS)

Mével, R.; Catoire, L.; Fikri, M.; Roth, P.

2013-03-01

Atomic resonance absorption spectroscopy coupled with a shock tube is a powerful technique for studying high temperature dynamics of reactive systems. Presently, high temperature pyrolysis of SiCl4-Ar mixtures has been studied behind reflected shock waves. Using time-resolved absorption profiles at 121.6 nm and a detailed reaction model, the absorption cross sections of SiCl, SiCl, SiCl and Cl have been measured. Results agree well with available data for SiCl and constitute, to our knowledge, the first measurements for SiCl, SiCl and Cl at the Lyman-α wavelength. These data are relevant to silica particle production from SiCl-oxidant mixtures combustion synthesis.

X-ray Reflectivity Study of a Highly Rough Surface: Si Nanowires Grown by Ag Nanoparticle Etching

NASA Astrophysics Data System (ADS)

Kremenak, Jesse; Arendse, Christopher; Cummings, Franscious; Chen, Yiyao; Miceli, Paul

Vertically oriented Si nanowires (SiNWs) formed by Ag-assisted wet chemical etching of a Si(100) substrate was studied by X-ray reflectivity (XRR) in combination with electron microscopy. Si(100) wafers coated with Ag nanoparticles, which serve as a catalyst, were etched for different durations in a HF/H2O2/DI-H2O solution. Because of the extreme roughness of these surfaces, there are challenges for using XRR methods in such systems. Therefore, significant attention is given to the analysis method of the XRR measurements. This sample-average information presents a valuable complement to electron microscopy studies, which focus on small sections of the sample. The present work shows-for the first time-the amount and distribution of Ag during the formation of SiNWs fabricated by Ag-assisted wet chemical etching, which is vital information for understanding the etching mechanisms. Support is gratefully acknowledged from the National Science Foundation (USA) - DGE1069091, the National Research Foundation (RSA) - TTK14052167658, 76568, 92520, and 93212; and the University of Missouri/University of Western Cape Linkage Program.

Mechanical property degradation of high crystalline SiC fiber–reinforced SiC matrix composite neutron irradiated to ~100 displacements per atom

DOE PAGES

Koyanagi, Takaaki; Nozawa, Takashi; Katoh, Yutai; ...

2017-12-20

For the development of silicon carbide (SiC) materials for next-generation nuclear structural applications, degradation of material properties under intense neutron irradiation is a critical feasibility issue. This paper evaluated the mechanical properties and microstructure of a chemical vapor infiltrated SiC matrix composite, reinforced with a multi-layer SiC/pyrolytic carbon–coated Hi-Nicalon TM Type S SiC fiber, following neutron irradiation at 319 and 629 °C to ~100 displacements per atom. Both the proportional limit stress and ultimate flexural strength were significantly degraded as a result of irradiation at both temperatures. After irradiation at 319 °C, the quasi-ductile fracture behavior of the nonirradiated compositemore » became brittle, a result that was explained by a loss of functionality of the fiber/matrix interface associated with the disappearance of the interphase due to irradiation. Finally, the specimens irradiated at 629 °C showed increased apparent failure strain because the fiber/matrix interphase was weakened by irradiation-induced partial debonding.« less

1.00 MeV proton radiation resistance studies of single-junction and single gap dual-junction amorphous-silicon alloy solar cells

NASA Technical Reports Server (NTRS)

Abdulaziz, Salman; Payson, J. S.; Li, Yang; Woodyard, James R.

1990-01-01

A comparative study of the radiation resistance of a-Si:H and a-SiGe:H single-junction and a-Si:H dual-junction solar cells was conducted. The cells were irradiated with 1.00-MeV protons with fluences of 1.0 x 10 to the 14th, 5.0 x 10 to the 14th and 1.0 x 10 to the 15th/sq cm and characterized using I-V and quantum efficiency measurements. The radiation resistance of single-junction cells cannot be used to explain the behavior of dual-junction cells at a fluence of 1.0 x 10 to the 15th/sq cm. The a-Si H single-junction cells degraded the least of the three cells; a-SiGe:H single-junction cells showed the largest reduction in short-circuit current, while a-Si:H dual-junction cells exhibited the largest degradation in the open-circuit voltage. The quantum efficiency of the cells degraded more in the red part of the spectrum; the bottom junction degrades first in dual-junction cells.

Mechanical property degradation of high crystalline SiC fiber–reinforced SiC matrix composite neutron irradiated to ~100 displacements per atom

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koyanagi, Takaaki; Nozawa, Takashi; Katoh, Yutai

For the development of silicon carbide (SiC) materials for next-generation nuclear structural applications, degradation of material properties under intense neutron irradiation is a critical feasibility issue. This paper evaluated the mechanical properties and microstructure of a chemical vapor infiltrated SiC matrix composite, reinforced with a multi-layer SiC/pyrolytic carbon–coated Hi-Nicalon TM Type S SiC fiber, following neutron irradiation at 319 and 629 °C to ~100 displacements per atom. Both the proportional limit stress and ultimate flexural strength were significantly degraded as a result of irradiation at both temperatures. After irradiation at 319 °C, the quasi-ductile fracture behavior of the nonirradiated compositemore » became brittle, a result that was explained by a loss of functionality of the fiber/matrix interface associated with the disappearance of the interphase due to irradiation. Finally, the specimens irradiated at 629 °C showed increased apparent failure strain because the fiber/matrix interphase was weakened by irradiation-induced partial debonding.« less

Probing lattice dynamics and electron-phonon coupling in the topological nodal-line semimetal ZrSiS

NASA Astrophysics Data System (ADS)

Singha, Ratnadwip; Samanta, Sudeshna; Chatterjee, Swastika; Pariari, Arnab; Majumdar, Dipanwita; Satpati, Biswarup; Wang, Lin; Singha, Achintya; Mandal, Prabhat

2018-03-01

Topological materials provide an exclusive platform to study the dynamics of relativistic particles in table-top experiments and offer the possibility of wide-scale technological applications. ZrSiS is a newly discovered topological nodal-line semimetal and has drawn enormous interests. In this paper, we have investigated the lattice dynamics and electron-phonon interaction in single-crystalline ZrSiS using Raman spectroscopy. Polarization and angle-resolved Raman data have been analyzed using crystal symmetries and theoretically calculated atomic vibrational patterns along with phonon dispersion spectra. Wavelength- and temperature-dependent measurements show the complex interplay of electron and phonon degrees of freedom, resulting in resonant phonon and quasielastic electron scattering through interband transition. Our high-pressure Raman studies reveal vibrational anomalies, which are the signature of structural phase transitions. Further investigations through high-pressure synchrotron x-ray diffraction clearly show pressure-induced structural transitions and coexistence of multiple phases, which also indicate possible electronic topological transitions in ZrSiS. This study not only provides the fundamental information on the phonon subsystem, but also sheds some light in understanding the topological nodal-line phase in ZrSiS and other isostructural systems.

[Dynamics of oxygen uptake during a 100 m front crawl event, performed during competition ].

PubMed

Jalab, Chadi; Enea, Carina; Delpech, Nathalie; Bernard, Olivier

2011-04-01

The main purpose of this study is to estimate the dynamics of oxygen uptake (VO2) during a 100 m front crawl event, performed in competition conditions. Eleven trained swimmers participated in 2 separate sessions, in a 25 m swimming pool. Maximal oxygen uptake (VO2max) was determined during a 400 m maximal event. Swimmers also performed a 100 m front crawl in competition conditions, and then, 3 tests (25, 50, and 75 m) following the pacing strategy of the 100 m event. To be free of technical constraints, VO2 was not measured during the tests, but before and just at the end of each test with a 1 min breath-by-breath method. Each post-test VO2 measurement (after 25, 50, 75, and 100 m) allows us to reconstruct the VO2 kinetics of the 100 m performance. Our results differ from previous studies in that VO2 increases faster in the first half of the race (at 50 m, VO2 ≈ 94% VO2max), reaches VO2max at the 75 m mark; then a decrease in VO2 corresponding to 7% of VO2max appears during the last 25 m. These differences are supposed to be mainly the consequences of the adoption of technical elements and a pacing strategy similar to competition conditions. In the future, these observations may lead to different considerations of the bioenergetic contributions.

Manufacture of sintered silicon nitrides

NASA Technical Reports Server (NTRS)

Iwai, T.

1985-01-01

Sintered silicon nitrides are manufactured by sintering Si3N powder containing 2 to 15% in wt of a powder mixture composed of nitride powder of lanthanide or Y 100 parts and AIN powder less than 100 parts at 1500 to 1900 deg. temperature under a pressure of less than 200 Kg/sq. cm. The sintered Si3N has high mechanical strength in high temperature. Thus, Si3N4 93.0, Y 5.0 and AlN 2.0% in weight were wet mixed in acetone in N atom, molded and sintered at 1750 deg. and 1000 Kg/sq. cm. to give a sintered body having high hardness.

Density-functional theory molecular dynamics simulations of a-HfO2/a-SiO2/SiGe and a-HfO2/a-SiO2/Ge with a-SiO2 and a-SiO suboxide interfacial layers

NASA Astrophysics Data System (ADS)

Chagarov, Evgueni A.; Kavrik, Mahmut S.; Fang, Ziwei; Tsai, Wilman; Kummel, Andrew C.

2018-06-01

Comprehensive Density-Functional Theory (DFT) Molecular Dynamics (MD) simulations were performed to investigate interfaces between a-HfO2 and SiGe or Ge semiconductors with fully-stoichiometric a-SiO2 or sub-oxide SiO interlayers. The electronic structure of the selected stacks was calculated with a HSE06 hybrid functional. Simulations were performed before and after hydrogen passivation of residual interlayer defects. For the SiGe substrate with Ge termination prior to H passivation, the stacks with a-SiO suboxide interlayer (a-HfO2/a-SiO/SiGe) demonstrate superior electronic properties and wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/SiGe). After H passivation, most of the a-HfO2/a-SiO2/SiGe defects are passivated. To investigate effect of random placement of Si and Ge atoms additional simulations with a randomized SiGe slab were performed demonstrating improvement of electronic structure. For Ge substrates, before H passivation, the stacks with a SiO suboxide interlayer (a-HfO2/a-SiO/Ge) also demonstrate wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/Ge). However, even for a-HfO2/a-SiO/Ge, the Fermi level is shifted close to the conduction band edge (CBM) consistent with Fermi level pinning. Again, after H passivation, most of the a-HfO2/a-SiO2/Ge defects are passivated. The stacks with fully coordinated a-SiO2 interlayers have much stronger deformation and irregularity in the semiconductor (SiGe or Ge) upper layers leading to multiple under-coordinated atoms which create band-edge states and decrease the band-gap prior to H passivation.

Elucidation of the genetic architecture of self-incompatibility in olive: Evolutionary consequences and perspectives for orchard management.

PubMed

Saumitou-Laprade, Pierre; Vernet, Philippe; Vekemans, Xavier; Billiard, Sylvain; Gallina, Sophie; Essalouh, Laila; Mhaïs, Ali; Moukhli, Abdelmajid; El Bakkali, Ahmed; Barcaccia, Gianni; Alagna, Fiammetta; Mariotti, Roberto; Cultrera, Nicolò G M; Pandolfi, Saverio; Rossi, Martina; Khadari, Bouchaïb; Baldoni, Luciana

2017-10-01

The olive ( Olea europaea L.) is a typical important perennial crop species for which the genetic determination and even functionality of self-incompatibility (SI) are still largely unresolved. It is still not known whether SI is under gametophytic or sporophytic genetic control, yet fruit production in orchards depends critically on successful ovule fertilization. We studied the genetic determination of SI in olive in light of recent discoveries in other genera of the Oleaceae family. Using intra- and interspecific stigma tests on 89 genotypes representative of species-wide olive diversity and the compatibility/incompatibility reactions of progeny plants from controlled crosses, we confirmed that O. europaea shares the same homomorphic diallelic self-incompatibility (DSI) system as the one recently identified in Phillyrea angustifolia and Fraxinus ornus . SI is sporophytic in olive. The incompatibility response differs between the two SI groups in terms of how far pollen tubes grow before growth is arrested within stigma tissues. As a consequence of this DSI system, the chance of cross-incompatibility between pairs of varieties in an orchard is high (50%) and fruit production may be limited by the availability of compatible pollen. The discovery of the DSI system in O. europaea will undoubtedly offer opportunities to optimize fruit production.

The Effect of Uniaxial Stress on the Donor Polarizabilities of Phosphorus and Antimony-Doped Silicon.

NASA Astrophysics Data System (ADS)

Tan, Hock Siew

This thesis reports piezocapacitance measurements on high purity Si, Si:P and Si:Sb with a uniaxial tensile stress along either the {100} or the {110 } axis and an electric field along the {001} axis from T = 4.2 K to 1.1 K. Dielectric constant values were obtained from the capacitance data after applying various corrections. The donor concentration-dependence of the dielectric constant was investigated for Si:P from N(,D) = 6.8 x 10('16) cm('-3) to. N(,D) = 1.9 x 10('18) cm('-3). The high purity Si data was essential for extracting the donor contribution to the doped-Si data. A value of 11.40 (+OR-) 0.06 is obtained for the static dielectric constant (epsilon)(,h)(T (--->) 0) of pure Si. The variation of (epsilon)(,h,zz) is linear with the applied stress (sigma)(,s) along the {110} axis up to. 610 Kg cm('-2), with (1/(epsilon)(,h,zz))(DELTA)(epsilon)(,h,zz)/(DELTA)(sigma)(,s)(110) = -(3.37 (+OR-) 0.07) x 10('-7) Kg('-1) cm('2). For the temperature variation of (epsilon)(,h), a value of (1/(epsilon)(,h))d(epsilon)(,h)/dT = (1.12 (+OR-) 0.05) x 10('-4) K('-1) is obtained at T = 4.2 K, which decreases as T (--->) 0 K. A minimum in the stress-dependent dielectric constant (epsilon)(N(,D),x(,100)) data (x is the reduced valley strain along either the {100} or the {110 } axis) was always observed for every sample stressed along a {100} axis. Except possibly at T = 4.2 K, a minimum in (epsilon)(N(,D),x(,100)) was not observed for the samples stressed along the axes. The values of the stress-dependent donor polarizability (alpha)(,D)(x) were calculated from the (epsilon)(N(,D),x) data employing the. Clausius-Mossotti relationship. The stress-dependent behavior of (alpha)(,D)(x) and the corresponding (epsilon)(N(,D),x) are very similar. The magnitudes of the initial slopes (beta)(,100) and (beta)(,110) of (alpha)(,D) (x)/(alpha)(,D)(0) and the positions of the minimum x(,100)('min) are characteristic of the particular donor. For P donor, (beta)(,100) = -0.13 (+OR-) 0.01, x(,100)('min) (DBLTURN) 0.6 (+OR-) 0.1 and for the Sb, (beta)(,100) = -0.07 (+OR-) 0.01 and x(,100)('min) =. 0.9 (+OR-) 0.2 in the dilute N(,D) region. While (beta)(,100) and (beta)(,110) are insensitive to the variation of N(,D), x(,100)('min) seems to decrease slightly with increasing N(,D). In general, the effects due to the valley repopulation and the variation of the Bohr radius with stress are not adequate in explaining the stress-dependent data quantitatively. The data, however, can be fit to the theory if the valley-orbit coupling parameter (DELTA)(,c) is written as a power series in x. A simple extrapolation procedure was employed to obtain the zero-stress (alpha)(,D)(N(,D)) as T (--->) 0 K. The values of (alpha)(,D)(N(,D),x = 0) obtained for the dilute limit are (1.2 (+OR-) 0.2) x 10('5) (ANGSTROM)('3) for P and (1.9 (+OR-) 0.6) x 10('5) (ANGSTROM)('3) for Sb. The (alpha)(,D)(N(,D),x = 0) data show an enhancement with increasing N(,D), but the enhancement is smaller than the value inferred from the data of other. workers. The Bohr radii inferred from the dilute limit (alpha)(,D)(N(,D),x = 0) and a theory of (alpha)(,D)(N(,D) = 0) are 14.8 (ANGSTROM) for P and 17 (ANGSTROM) for Sb. These lead to values for the Mott criterion of 0.23 (+OR-) 0.01 and 0.25 (+OR-) 0.01 for Si:P and Si:Sb respectively. The stress-dependent AC conductivity data (sigma)(x) of samples with dilute N(,D) are consistent with the corresponding stress-dependent (alpha)(,D)(x) data. A qualitative explanation is given for the (sigma)(x) behavior of the samples with large N(,D). The frequency-dependent data at both small and large values of N(,D) are also briefly discussed.

Great enhancement of pyroelectric properties for Ba{sub 0.65}Sr{sub 0.35}TiO{sub 3} films on Pt-Si substrates by inserting a self-buffered layer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, C. G.; Li, Y. R.; Zhu, J.

2009-02-15

(100)-Ba{sub 0.65}Sr{sub 0.35}TiO{sub 3} (BST) films were deposited on Pt/Ti/SiO{sub 2}/Si substrates using a low-temperature self-buffered layer. X-ray diffraction and atomic force microscope investigations show that the microstructure of BST films strongly depends on surface morphology of annealed self-buffered layer. The mechanism of nucleus formation and the growth initiation of BST films on self-buffered layers were proposed. It was found that the pyroelectric properties of BST films can be greatly enhanced. The pyroelectric coefficient and material merit figure of (100)-BST films are 1.16x10{sup 4} {mu}C m{sup -2} K{sup -1} and 2.18x10{sup -4} Pa{sup -1/2}, respectively. The detectivity of 9.4x10{sup 7}more » cm Hz{sup 1/2} W{sup -1} was obtained in the (100)-BST film capacitors thermally isolated by 500 nm SiO{sub 2} films.« less

Surface roughness in XeF{sub 2} etching of a-Si/c-Si(100)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stevens, A.A.E.; Beijerinck, H.C.W.

2005-01-01

Single wavelength ellipsometry and atomic force microscopy (AFM) have been applied in a well-calibrated beam-etching experiment to characterize the dynamics of surface roughening induced by chemical etching of a {approx}12 nm amorphous silicon (a-Si) top layer and the underlying crystalline silicon (c-Si) bulk. In both the initial and final phase of etching, where either only a-Si or only c-Si is exposed to the XeF{sub 2} flux, we observe a similar evolution of the surface roughness as a function of the XeF{sub 2} dose proportional to D(XeF{sub 2}){sup {beta}} with {beta}{approx_equal}0.2. In the transition region from the pure amorphous to themore » pure crystalline silicon layer, we observe a strong anomalous increase of the surface roughness proportional to D(XeF{sub 2}){sup {beta}} with {beta}{approx_equal}1.5. Not only the growth rate of the roughness increases sharply in this phase, also the surface morphology temporarily changes to a structure that suggests a cusplike shape. Both features suggest that the remaining a-Si patches on the surface act effectively as a capping layer which causes the growth of deep trenches in the c-Si. The ellipsometry data on the roughness are corroborated by the AFM results, by equating the thickness of the rough layer to 6 {sigma}, with {sigma} the root-mean-square variation of the AFM's distribution function of height differences. In the AFM data, the anomalous behavior is reflected in a too small value of {sigma} which again suggests narrow and deep surface features that cannot be tracked by the AFM tip. The final phase morphology is characterized by an effective increase in surface area by a factor of two, as derived from a simple bilayer model of the reaction layer, using the experimental etch rate as input. We obtain a local reaction layer thickness of 1.5 monolayer consistent with the 1.7 ML value of Lo et al. [Lo et al., Phys. Rev. B 47, 648 (1993)] that is also independent of surface roughness.« less

Work function characterization of solution-processed cobalt silicide

DOE PAGES

Ullah, Syed Shihab; Robinson, Matt; Hoey, Justin; ...

2012-05-08

Cobalt silicide thin films were prepared by spin-coating Si6H12-based inks onto various substrates followed by a thermal treatment. The work function of the solution processed Co-Si was determined by both capacitance-voltage (C-V) measurements of metal-oxide-semiconductor (MOS) structures as well as by ultraviolet photoelectron spectroscopy (UPS). The UPS-derived work function was 4.80 eV for a Co-Si film on Si (100) while C-V of MOS structures yielded a work function of 4.36 eV where the metal was solution-processed Co-Si, the oxide was SiO2 and the semiconductor was a B-doped Si wafer.

Competition between siRNA duplexes: impact of RNA-induced silencing complex loading efficiency and comparison between conventional-21 bp and Dicer-substrate siRNAs.

PubMed

Tanudji, Marcel; Machalek, Dorothy; Arndt, Greg M; Rivory, Laurent

2010-02-01

Cotransfection of a mixture of siRNAs species is typically used when simultaneous targeting of more than one mRNA is required. However, competition between siRNAs could occur and reduce the activity of some siRNAs within the mixture. To further study the factors affecting the degree of competition between siRNAs, we cotransfected luciferase targeting siRNAs with various irrelevant (ie, nonluciferase targeting) siRNAs into cells and examined differences in their competition profiles by assessing the effect on luciferase expression. We show that the degree of competition varies between irrelevant siRNAs and occurs at the point of RISC loading. Although the competition profile appears to be related to the calculated RNA-induced silencing complex (RISC) loading potential, empirical testing is required to confirm the competitive effects. We also observed reduced competition with siRNAs in the Dicer-substrate format, presumably due to more efficient RISC loading as a consequence of the physical transfer of the processed siRNA from Dicer.

Targeting the Blind Spot of Polycationic Nanocarrier-Based siRNA Delivery

PubMed Central

Zheng, Mengyao; Pavan, Giovanni M.; Neeb, Manuel; Schaper, Andreas K.; Danani, Andrea; Klebe, Gerhard; Merkel, Olivia M.; Kissel, Thomas

2013-01-01

Polycationic nanocarriers attract increasing attention to the field of siRNA delivery. We investigated the self-assembly of siRNA vs pDNA with polycations, which are broadly used for nonviral gene and siRNA delivery. Although polyethyleneimine (PEI) was routinely adopted as siRNA carrier based on its efficacy in delivering pDNA, it has not been investigated yet why PEI efficiently delivers pDNA to cells but is controversially discussed in terms of efficacy for siRNA delivery. We are the first to investigate the self-assembly of PEI/siRNA vs PEI/pDNA and the steps of complexation and aggregation through different levels of hierarchy on the atomic and molecular scale with the novel synergistic use of molecular modeling, molecular dynamics simulation, isothermal titration calorimetry, and other characterization techniques. We are also the fist to elucidate atomic interactions, size, shape, stoichiometry, and association dynamics for polyplexes containing siRNA vs pDNA. Our investigation highlights differences in the hierarchical mechanism of formation of related polycation–siRNA and polycation–pDNA complexes. The results of fluorescence quenching assays indicated a biphasic behavior of siRNA binding with polycations where molecular reorganization of the siRNA within the polycations occurred at lower N/P ratios (nitrogen/phosphorus). Our results, for the first time, emphasize a biphasic behavior in siRNA complexation and the importance of low N/P ratios, which allow for excellent siRNA delivery efficiency. Our investigation highlights the formulation of siRNA complexes from a thermodynamic point of view and opens new perspectives to advance the rational design of new siRNA delivery systems. PMID:23036046

Effect of hydrogen radical on decomposition of chlorosilane source gases

NASA Astrophysics Data System (ADS)

Sumiya, Masatomo; Akizuki, Tomohiro; Itaka, Kenji; Kubota, Makoto; Tsubouchi, Kenta; Ishigaki, Takamasa; Koinuma, Hideomi

2013-06-01

The effect of hydrogen radical on production of Si from chlorosilane sources has been studied. We used hydrogen radical generated from pulsed thermal plasma to decompose SiHCl3 and SiCl4. Hydrogen radical was effective for lowering the temperature to produce Si from SiHCl3. SiCl4 source, which was chemically stable and by-product in Siemens process, was decomposed effectively by hydrogen radical. The decomposition of SiCl4 was consistent with the thermo-dynamical calculation predicting that the use of hydrogen radical could drastically enhance the yield of Si production rather than case of H2 gas.

Si-centered capped trigonal prism ordering in liquid Pd 82Si 18 alloy study by first-principles calculations

DOE PAGES

Dong, F.; Yue, G. Q.; Ames Lab. and Iowa State Univ., Ames, IA; ...

2017-03-24

First-principles molecular dynamic (MD) simulation and X-ray diffraction were employed to study the local structures of Pd–Si liquid at the eutectic composition (Pd 82Si 18). Here, a strong repulsion is found between Si atoms, and Si atoms prefer to be evenly distributed in the liquid. The dominate local structures around Si atoms are found to be with of a trigonal prism capped by three half-octahedra and an archimedean anti-prism. The populations of these clusters increase significantly upon cooling, and may play an important role in the formation of Pd 82Si 18 alloy glass.

Si-centered capped trigonal prism ordering in liquid Pd 82Si 18 alloy study by first-principles calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, F.; Yue, G. Q.; Ames Lab. and Iowa State Univ., Ames, IA

First-principles molecular dynamic (MD) simulation and X-ray diffraction were employed to study the local structures of Pd–Si liquid at the eutectic composition (Pd 82Si 18). Here, a strong repulsion is found between Si atoms, and Si atoms prefer to be evenly distributed in the liquid. The dominate local structures around Si atoms are found to be with of a trigonal prism capped by three half-octahedra and an archimedean anti-prism. The populations of these clusters increase significantly upon cooling, and may play an important role in the formation of Pd 82Si 18 alloy glass.

Study on ion implantation conditions in fabricating compressively strained Si/relaxed Si1-xCx heterostructures using the defect control by ion implantation technique

NASA Astrophysics Data System (ADS)

Arisawa, You; Sawano, Kentarou; Usami, Noritaka

2017-06-01

The influence of ion implantation energies on compressively strained Si/relaxed Si1-xCx heterostructures formed on Ar ion implanted Si substrates was investigated. It was found that relaxation ratio can be enhanced over 100% at relatively low implantation energies, and compressive strain in the topmost Si layer is maximized at 45 keV due to large lattice mismatch. Cross-sectional transmission electron microscope images revealed that defects are localized around the hetero-interface between the Si1-xCx layer and the Ar+-implanted Si substrate when the implantation energy is 45 keV, which decreases the amount of defects in the topmost Si layer and the upper part of the Si1-xCx buffer layer.

An on-belt elemental analyser for the cement industry.

PubMed

Lim, C S; Tickner, J R; Sowerby, B D; Abernethy, D A; McEwan, A J; Rainey, S; Stevens, R; Manias, C; Retallack, D

2001-01-01

On-line control of raw mill feed composition is a key factor in the improved control of cement plants. A new and improved on-conveyor belt elemental analyser for cement raw mill feed based on neutron inelastic scatter and capture techniques has been developed and tested successfully in Adelaide Brighton's Birkenhead cement plant on highly segregated material with a depth range of 100 to 180 mm. Dynamic tests in the plant have shown analyser RMS total errors of 0.49, 0.52, 0.38 and 0.23 wt% (on a loss free basis) for CaO, SiO2, Al2O3 and Fe2O3 respectively, when 10-minute counting periods are used.

Ultra-small, self-holding, optical gate switch using Ge2Sb2Te5 with a multi-mode Si waveguide.

PubMed

Tanaka, Daiki; Shoji, Yuya; Kuwahara, Masashi; Wang, Xiaomin; Kintaka, Kenji; Kawashima, Hitoshi; Toyosaki, Tatsuya; Ikuma, Yuichiro; Tsuda, Hiroyuki

2012-04-23

We report a multi-mode interference-based optical gate switch using a Ge(2)Sb(2)Te(5) thin film with a diameter of only 1 µm. The switching operation was demonstrated by laser pulse irradiation. This switch had a very wide operating wavelength range of 100 nm at around 1575 nm, with an average extinction ratio of 12.6 dB. Repetitive switching over 2,000 irradiation cycles was also successfully demonstrated. In addition, self-holding characteristics were confirmed by observing the dynamic responses, and the rise and fall times were 130 ns and 400 ns, respectively. © 2012 Optical Society of America

Investigations of Si Thin Films as Anode of Lithium-Ion Batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Qingliu; Shi, Bing; Bareño, Javier

Amorphous silicon thin films having various thicknesses were investigated as a negative electrode material for lithium-ion batteries. Electrochemical characterization of the 20 nm thick thin silicon film revealed a very low first cycle Coulombic efficiency, which can be attributed to the silicon oxide layer formed on both the surface of the as-deposited Si thin film and the interface between the Si and the substrate. Among the investigated films, the 100 nm Si thin film demonstrated the best performance in terms of first cycle efficiency and cycle life. Observations from scanning electron microscopy demonstrated that the generation of cracks was inevitablemore » in the cycled Si thin films, even as the thickness of the film was as little as 20 nm, which was not predicted by previous modeling work. However, the cycling performance of the 20 and 100 nm silicon thin films was not detrimentally affected by these cracks. The poor capacity retention of the 1 mu m silicon thin film was attributed to the delamination.« less

XPS study of graphene oxide reduction induced by (100) and (111)-oriented Si substrates

NASA Astrophysics Data System (ADS)

Priante, F.; Salim, M.; Ottaviano, L.; Perrozzi, F.

2018-02-01

The reduction of graphene oxide (GO) has been extensively studied in literature in order to let GO partially recover the properties of graphene. Most of the techniques proposed to reduce GO are based on high temperature annealing or chemical reduction. A new procedure, based on the direct reduction of GO by etched Si substrate, was recently proposed in literature. In the present work, we accurately investigated the Si-GO interaction with x-ray photoelectron spectroscopy. In order to avoid external substrate oxidation factors we used EtOH as the GO solvent instead of water, and thermal annealing was carried out in UHV. We investigated the effect of Si(100), Si(111) and Au substrates on GO, to probe the role played by both the substrate composition and substrate orientation during the reduction process. A similar degree of GO reduction was observed for all samples but only after thermal annealing, ruling out the direct reduction effect of the substrate.

Electromagnetic Field Enhancement on Axially Heterostructured NWs: The Role of the Heterojunctions

NASA Astrophysics Data System (ADS)

Pura, J. L.; Souto, J.; Periwal, P.; Baron, T.; Jiménez, J.

2018-05-01

Semiconductor nanowires are the building blocks of future nanoelectronic devices. The study of the interaction between nanowires and visible light reveals resonances that promise light absorption/scattering engineering for photonic applications. We carried out experimental measurements through the micro-Raman spectroscopy of different group IV nanowires, both homogeneous Si nanowires and axially heterostructured SiGe/Si nanowires. These experimental measurements show an enhancement of the Raman signal in the vicinity of the heterojunction of SiGe/Si nanowires. The results are analysed in terms of the electromagnetic modelling of the light/nanowire interaction using finite element methods. The presence of axial heterostructures is shown to produce electromagnetic resonances, and the results are understood as a consequence of a finite change in the relative permittivity of the material at the SiGe/Si heterojunction. This effect opens a path to controlling interactions between light and matter at the nanoscale with direct applications in photonic nanodevices.

An electronegativity-induced spin repulsion effect.

PubMed

Stirling, Andras; Pasquarello, Alfredo

2005-09-22

We present a spin delocalization effect in radical Si-containing systems, featuring a heteroatom of high electronegativity (such as N, O, or Cl) bonded to the unsaturated Si atom. We find that the higher the electronegativity of the heteroatom, the more the localized spin shifts away from the unsaturated Si atom and the heteroatom toward saturated Si neighbors. We demonstrate that this spin repulsion toward saturated Si atoms is induced by the electronegativity difference between the Si atom and the heteroatoms. We present a simple molecular-orbital-based mechanism which fully explains the structural and electronic effects. We contrast the present spin delocalization mechanism with the classical hyperconjugation in organic chemistry. The most important consequences of this spin redistribution are the electron-spin-resonance activity of the saturated Si neighbors and the enhanced stability of the radical centers. We predict a similar effect for Ge radicals and discuss why organic systems based on carbon do not feature such spin repulsion.

Growth and spin-wave properties of thin Y{sub 3}Fe{sub 5}O{sub 12} films on Si substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stognij, A. I.; Novitskii, N. N.; Lutsev, L. V., E-mail: l-lutsev@mail.ru

2015-07-14

We describe synthesis of submicron Y{sub 3}Fe{sub 5}O{sub 12} (YIG) films sputtered on Si substrates and present results of the investigation of ferromagnetic resonance (FMR) and spin waves in YIG/SiO{sub 2}/Si structures. It is found that decrease of the annealing time leads to essential reduction of the FMR linewidth ΔH and, consequently, to reduction of relaxation losses of spin waves. Spin-wave propagation in in-plane magnetized YIG/SiO{sub 2}/Si structures is studied. We observe the asymmetry of amplitude-frequency characteristics of the Damon-Eshbach spin waves caused by different localizations of spin waves at the free YIG surface and at the YIG/SiO{sub 2} interface.more » Growth of the generating microwave power leads to spin-wave instability and changes amplitude-frequency characteristics of spin waves.« less

Study of the structural and optical properties of GaP(N) layers synthesized by molecular-beam epitaxy on Si(100) 4° substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kryzhanovskaya, N. V., E-mail: NataliaKryzh@gmail.com; Polubavkina, Yu. S.; Nevedomskiy, V. N.

The structural and optical properties of GaP and GaPN layers synthesized by molecular-beam epitaxy on Si(100) substrates misoriented by 4° are studied. The possibility of producing GaP buffer layers that exhibit a high degree of heterointerface planarity and an outcropping dislocation density of no higher than ~2 × 10{sup 8} cm{sup –2} is shown. Emission from the Si/GaP/GaPN structure in the spectral range of 630–640 nm at room temperature is observed. Annealing during growth of the Si/GaP/GaPN structure makes it possible to enhance the room-temperature photoluminescence intensity by a factor of 2.6, with no shift of the maximum of themore » emission line.« less

Development of 100 g Si and 250 g Ge detectors for a dark matter search

NASA Astrophysics Data System (ADS)

Brink, P. L.; Cabrera, B.; Chugg, B.; Clarke, R. M.; Davies, A.; Nam, S. W.; Young, B. A.

1996-05-01

Over the last two years we have proposed and implemented a new phonon sensing scheme for Cryogenic elementary particle detectors based upon Transition Edge Sensors (TES) operated in the (negative) Electrothermal-feedback (ETF) mode, and utilizing large Al collection pads for the initial phonon absorption. We have also implemented an ionization electrode, in addition to the phonon sensors, to allow the simultaneous measurement of ionization and phonon signals in Si and Ge absorbers. Our progress to date include successfully discriminating between electron and nuclear recoils down to a threshold of 4 keV recoil energy for a 4 g Si detector. Our first 100 g Si detectors have been fabricated, and initial work on Ge detectors indicates that our phonon sensing scheme will also work on large mass Ge absorbers.

Modified Stranski-Krastanov growth in Ge/Si heterostructures via nanostenciled pulsed laser deposition.

PubMed

MacLeod, J M; Cojocaru, C V; Ratto, F; Harnagea, C; Bernardi, A; Alonso, M I; Rosei, F

2012-02-17

The combination of nanostenciling with pulsed laser deposition (PLD) provides a flexible, fast approach for patterning the growth of Ge on Si. Within each stencilled site, the morphological evolution of the Ge structures with deposition follows a modified Stranski-Krastanov (SK) growth mode. By systematically varying the PLD parameters (laser repetition rate and number of pulses) on two different substrate orientations (111 and 100), we have observed corresponding changes in growth morphology, strain and elemental composition using scanning electron microscopy, atomic force microscopy and μ-Raman spectroscopy. The growth behaviour is well predicted within a classical SK scheme, although the Si(100) growth exhibits significant relaxation and ripening with increasing coverage. Other novel aspects of the growth include the increased thickness of the wetting layer and the kinetic control of Si/Ge intermixing via the PLD repetition rate.

Development of splitting convergent beam electron diffraction (SCBED).

PubMed

Houdellier, Florent; Röder, Falk; Snoeck, Etienne

2015-12-01

Using a combination of condenser electrostatic biprism with dedicated electron optic conditions for sample illumination, we were able to split a convergent beam electron probe focused on the sample in two half focused probes without introducing any tilt between them. As a consequence, a combined convergent beam electron diffraction pattern is obtained in the back focal plane of the objective lens arising from two different sample areas, which could be analyzed in a single pattern. This splitting convergent beam electron diffraction (SCBED) pattern has been tested first on a well-characterized test sample of Si/SiGe multilayers epitaxially grown on a Si substrate. The SCBED pattern contains information from the strained area, which exhibits HOLZ lines broadening induced by surface relaxation, with fine HOLZ lines observed in the unstrained reference part of the sample. These patterns have been analyzed quantitatively using both parts of the SCBED transmitted disk. The fine HOLZ line positions are used to determine the precise acceleration voltage of the microscope while the perturbed HOLZ rocking curves in the stained area are compared to dynamical simulated ones. The combination of these two information leads to a precise evaluation of the sample strain state. Finally, several SCBED setups are proposed to tackle fundamental physics questions as well as applied materials science ones and demonstrate how SCBED has the potential to greatly expand the range of applications of electron diffraction and electron holography. Copyright © 2015 Elsevier B.V. All rights reserved.

Thermoelectric properties of hot-pressed fine particulate powder SiGe alloys

NASA Technical Reports Server (NTRS)

Beaty, John S.; Rolfe, Jonathan; Vandersande, Jan

1991-01-01

A novel material system and its fabrication technique have been defined and applied to the production of SiGe thermoelectric material through the hot pressing of 50-100 A ultrafine particulates into 80/20 SiGe. Relative to conventionally processed SiGe, a reduction of thermal conductivity of up to 40 percent is achieved in conjunction with an enhancement of material figure-of-merit of the order of 10-15 percent.

Coupling Between the Thermosphere and the Stratosphere: the Role of Nitric Oxide

NASA Technical Reports Server (NTRS)

Brasseur, G.

1984-01-01

In order to understand the lower ionosphere and its probable control by dynamical processes, the behavior of nitric oxide below 100 km was investigated. A two dimensional model with coupled chemical and dynamical processes was constructed. Calculations based on the model reveal that the chemical conditions at the stratopause are related to the state of the thermosphere. This coupling mechanism can be partly explained by the downward transport of nitric oxide during the winter season, and consequently depends on the dynamical conditions in the mesosphere and in the lower thermosphere (mean circulation and waves). In summer, the photodissociation of nitric oxide plays an important role and the thermospheric NO abundance modulates the radiation field reaching the upper stratosphere. Perturbations in the nitric oxide concentration above the mesopause could therefore have an impact in the vicinity of the stratopause.

Si-Ge-metal ternary phase diagram calculations

NASA Technical Reports Server (NTRS)

Fleurial, J. P.; Borshchevsky, A.

1990-01-01

Solution crystal growth and doping conditions of Si-Ge alloys used for high-temperature thermoelectric generation are determined here. Liquid-phase epitaxy (LPE) has been successfully employed recently to obtain single-crystalline homogeneous layers of Si-Ge solid solutions from a liquid metal solvent. Knowledge of Si-Ge-metallic solvent ternary phase diagrams is essential for further single-crystal growth development. Consequently, a thermodynamic equilibrium model was used to calculate the phase diagrams of the Si-Ge-M systems, including solid solubilities, where M is Al, Ga, In, Sn, Pb, Sb, or Bi. Good agreement between calculated liquidus and solidus data and experimental DTA and microprobe results was obtained. The results are used to compare the suitability of the different systems for crystal growth (by LPE-type process).

Deterministic Role of Collision Cascade Density in Radiation Defect Dynamics in Si

NASA Astrophysics Data System (ADS)

Wallace, J. B.; Aji, L. B. Bayu; Shao, L.; Kucheyev, S. O.

2018-05-01

The formation of stable radiation damage in solids often proceeds via complex dynamic annealing (DA) processes, involving point defect migration and interaction. The dependence of DA on irradiation conditions remains poorly understood even for Si. Here, we use a pulsed ion beam method to study defect interaction dynamics in Si bombarded in the temperature range from ˜-30 ° C to 210 °C with ions in a wide range of masses, from Ne to Xe, creating collision cascades with different densities. We demonstrate that the complexity of the influence of irradiation conditions on defect dynamics can be reduced to a deterministic effect of a single parameter, the average cascade density, calculated by taking into account the fractal nature of collision cascades. For each ion species, the DA rate exhibits two well-defined Arrhenius regions where different DA mechanisms dominate. These two regions intersect at a critical temperature, which depends linearly on the cascade density. The low-temperature DA regime is characterized by an activation energy of ˜0.1 eV , independent of the cascade density. The high-temperature regime, however, exhibits a change in the dominant DA process for cascade densities above ˜0.04 at.%, evidenced by an increase in the activation energy. These results clearly demonstrate a crucial role of the collision cascade density and can be used to predict radiation defect dynamics in Si.

Deterministic Role of Collision Cascade Density in Radiation Defect Dynamics in Si.

PubMed

Wallace, J B; Aji, L B Bayu; Shao, L; Kucheyev, S O

2018-05-25

The formation of stable radiation damage in solids often proceeds via complex dynamic annealing (DA) processes, involving point defect migration and interaction. The dependence of DA on irradiation conditions remains poorly understood even for Si. Here, we use a pulsed ion beam method to study defect interaction dynamics in Si bombarded in the temperature range from ∼-30 °C to 210 °C with ions in a wide range of masses, from Ne to Xe, creating collision cascades with different densities. We demonstrate that the complexity of the influence of irradiation conditions on defect dynamics can be reduced to a deterministic effect of a single parameter, the average cascade density, calculated by taking into account the fractal nature of collision cascades. For each ion species, the DA rate exhibits two well-defined Arrhenius regions where different DA mechanisms dominate. These two regions intersect at a critical temperature, which depends linearly on the cascade density. The low-temperature DA regime is characterized by an activation energy of ∼0.1  eV, independent of the cascade density. The high-temperature regime, however, exhibits a change in the dominant DA process for cascade densities above ∼0.04 at.%, evidenced by an increase in the activation energy. These results clearly demonstrate a crucial role of the collision cascade density and can be used to predict radiation defect dynamics in Si.

Adsorption and dynamics of Si atoms at the monolayer Pb/Si(111) surface

NASA Astrophysics Data System (ADS)

Kumar, Rakesh; Fang, Chuang-Kai; Lee, Chih-Hao; Hwang, Ing-Shouh

2017-06-01

In this work, we studied the adsorption behavior of deposited Si atoms along with their diffusion and other dynamic processes on a Pb monolayer-covered Si(111) surface from 125 to 230 K using a variable-temperature scanning tunneling microscope. The Pb-covered Si(111) surface forms a low-symmetry rowlike (√{7 }×√{3 } ) structure in this temperature range and the Si atoms bind favorably to two specific on-top sites (T1 A and T1 B) on the trimer row after deposition at the sample temperature of ˜125 K . The Si atoms were immobile at low temperatures and started to switch between the two neighboring T1 A and T1 B sites within the same trimer when the temperature was raised to ˜150 K . When the temperature was raised above ˜160 K , the adsorbed Si atoms could hop to other trimers along the same trimer row. Below ˜170 K , short hops to adjacent trimers dominated, but long hops dominated at temperatures above ˜170 K . The activation energy and prefactor for the Si atoms diffusion were derived through analysis of continuous-time imaging at temperatures from 160 to 174 K. In addition, irreversible aggregation of single Si atoms into Si clusters started to occur at the phase boundaries or defective sites at temperatures above ˜170 K . At temperature above ˜180 K , nearly all Si atoms aggregated into clusters, which may have important implications for the atomic mechanism of epitaxial growth of Si on the Pb-covered Si(111) surface. In addition, our study provides strong evidence for breaking in the mirror symmetry in the (√{7 }×√{3 } )-Pb structure, which has implications for the atomic model of this controversial structure.

Photodecomposition of Mo(CO)/sub 6/ adsorbed on Si(100)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Creighton, J.R.

1985-01-01

The photochemical decomposition of Mo(CO)/sub 6/ layers physisorbed on Si(100) was investigated to determine the feasibility of molybdenum deposition and also to examine the photochemical reaction mechanism and efficiency. Temperature programmed desorption (TPD) was used to investigate the interaction of Mo(CO)/sub 6/ with the silicon surface before and after irradiation. Auger spectroscopy was used to determine surface elemental composition before Mo(CO)/sub 6/ adsorption and after photodecomposition.

Micro-pyramidal structure fabrication on polydimethylsiloxane (PDMS) by Si (100) KOH wet etching

NASA Astrophysics Data System (ADS)

Hwang, Shinae; Lim, Kyungsuk; Shin, Hyeseon; Lee, Seongjae; Jang, Moongyu

2017-10-01

A high degree of accuracy in bulk micromachining is essential to fabricate micro-electro-mechanical systems (MEMS) devices. A series of etching experiments is carried out using 40 wt% KOH solutions at the constant temperature of 70 °C. Before wet etching, SF6 and O2 are used as the dry etching gas to etch the masking layers of a 100 nm thick Si3N4 and SiO2, respectively. The experimental results indicate that (100) silicon wafer form the pyramidal structures with (111) single crystal planes. All the etch profiles are analyzed using Scanning Electron Microscope (SEM) and the wet etch rates depend on the opening sizes. The manufactured pyramidal structures are used as the pattern of silicon mold. After a short hardening of coated polydimethylsiloxane (PDMS) layer, micro pyramidal structures are easily transferred to PDMS layer.

Effect of swift heavy ion irradiation on deep levels in Au /n-Si (100) Schottky diode studied by deep level transient spectroscopy

NASA Astrophysics Data System (ADS)

Kumar, Sandeep; Katharria, Y. S.; Kumar, Sugam; Kanjilal, D.

2007-12-01

In situ deep level transient spectroscopy has been applied to investigate the influence of 100MeV Si7+ ion irradiation on the deep levels present in Au/n-Si (100) Schottky structure in a wide fluence range from 5×109to1×1012ions cm-2. The swift heavy ion irradiation introduces a deep level at Ec-0.32eV. It is found that initially, trap level concentration of the energy level at Ec-0.40eV increases with irradiation up to a fluence value of 1×1010cm-2 while the deep level concentration decreases as irradiation fluence increases beyond the fluence value of 5×1010cm-2. These results are discussed, taking into account the role of energy transfer mechanism of high energy ions in material.

Time-resolved imaging of gas phase nanoparticle synthesis by laser ablation

NASA Astrophysics Data System (ADS)

Geohegan, David B.; Puretzky, Alex A.; Duscher, Gerd; Pennycook, Stephen J.

1998-06-01

The dynamics of nanoparticle formation, transport, and deposition by pulsed laser ablation of c-Si into 1-10 Torr He and Ar gases are revealed by imaging laser-induced photoluminescence and Rayleigh-scattered light from gas-suspended 1-10 nm SiOx particles. Two sets of dynamic phenomena are presented for times up to 15 s after KrF-laser ablation. Ablation of Si into heavier Ar results in a uniform, stationary plume of nanoparticles, while Si ablation into lighter He results in a turbulent ring of particles which propagates forward at 10 m/s. Nanoparticles unambiguously formed in the gas phase were collected on transmission electron microscope grids for Z-contrast imaging and electron energy loss spectroscopy analysis. The effects of gas flow on nanoparticle formation, photoluminescence, and collection are described.

X-Ray Diffraction (XRD) Characterization Methods for Sigma=3 Twin Defects in Cubic Semiconductor (100) Wafers

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Kim, Hyun Jung (Inventor); Skuza, Jonathan R. (Inventor); Lee, Kunik (Inventor); Choi, Sang Hyouk (Inventor); King, Glen C. (Inventor)

2017-01-01

An X-ray defraction (XRD) characterization method for sigma=3 twin defects in cubic semiconductor (100) wafers includes a concentration measurement method and a wafer mapping method for any cubic tetrahedral semiconductor wafers including GaAs (100) wafers and Si (100) wafers. The methods use the cubic semiconductor's (004) pole figure in order to detect sigma=3/{111} twin defects. The XRD methods are applicable to any (100) wafers of tetrahedral cubic semiconductors in the diamond structure (Si, Ge, C) and cubic zinc-blend structure (InP, InGaAs, CdTe, ZnSe, and so on) with various growth methods such as Liquid Encapsulated Czochralski (LEC) growth, Molecular Beam Epitaxy (MBE), Organometallic Vapor Phase Epitaxy (OMVPE), Czochralski growth and Metal Organic Chemical Vapor Deposition (MOCVD) growth.

Environmental Assessment and Inversion Studies Based on Features of the Acoustic Vector Field in Shallow Water

DTIC Science & Technology

2008-09-30

A tte nu at io n 1 20 40 60 80 100 1.7 1.75 1.8 1.85 1.9 D en si ty 1 20 40 60 80 100 1520 1540 1560 1580 1600 S ou nd S pe ed 1 20 40 60 80 100 0...0.01 0.02 0.03 0.04 0.05 0.06 0.07 LAYER A tte nu at io n 1 20 40 60 80 100 1.3 1.35 1.4 1.45 1.5 1.55 1.6 D en si ty 1 20 40 60 80 100 1460...Hermand, ed.), no. YS-1, La Spezia, Italy: SACLANT Undersea Research Centre, Dec. 1996. 2. J.-P. Hermand, ``Broad-band geoacoustic inversion in

Wettability of MnxSiyOz by Liquid Zn-Al Alloys

NASA Astrophysics Data System (ADS)

Kim, Yunkyum; Shin, Minsoo; Tang, Chengying; Lee, Joonho

2010-08-01

The wettability of MnxSiyOz by liquid Zn-Al alloys was investigated to obtain basic information on the coating properties of high-strength steels with surface oxides in the hot-dip galvanizing process. In this study, the contact angles of liquid Zn-Al alloys (Al concentrations were 0.12 and 0.23 wt pct) on four different MnxSiyOz oxides, namely MnO, MnSiO3, Mn2SiO4, and SiO2, were measured with the dispensed drop method. The contact angle did not change across time. With an increasing Al concentration, the contact angle was slightly decreased for MnO and Mn2SiO4, but there was no change for MnSiO3 and SiO2. With an increasing SiO2 content, the contact angle gradually increased by 54 wt pct to form MnSiO3, and for pure SiO2 substrate, the contact angle decreased again. Consequently, the MnSiO3 substrate showed the worst wettability among the four tested oxide substrates.

Comparison of the Diagnostic Accuracy of DSC- and Dynamic Contrast-Enhanced MRI in the Preoperative Grading of Astrocytomas.

PubMed

Nguyen, T B; Cron, G O; Perdrizet, K; Bezzina, K; Torres, C H; Chakraborty, S; Woulfe, J; Jansen, G H; Sinclair, J; Thornhill, R E; Foottit, C; Zanette, B; Cameron, I G

2015-11-01

Dynamic contrast-enhanced MR imaging parameters can be biased by poor measurement of the vascular input function. We have compared the diagnostic accuracy of dynamic contrast-enhanced MR imaging by using a phase-derived vascular input function and "bookend" T1 measurements with DSC MR imaging for preoperative grading of astrocytomas. This prospective study included 48 patients with a new pathologic diagnosis of an astrocytoma. Preoperative MR imaging was performed at 3T, which included 2 injections of 5-mL gadobutrol for dynamic contrast-enhanced and DSC MR imaging. During dynamic contrast-enhanced MR imaging, both magnitude and phase images were acquired to estimate plasma volume obtained from phase-derived vascular input function (Vp_Φ) and volume transfer constant obtained from phase-derived vascular input function (K(trans)_Φ) as well as plasma volume obtained from magnitude-derived vascular input function (Vp_SI) and volume transfer constant obtained from magnitude-derived vascular input function (K(trans)_SI). From DSC MR imaging, corrected relative CBV was computed. Four ROIs were placed over the solid part of the tumor, and the highest value among the ROIs was recorded. A Mann-Whitney U test was used to test for difference between grades. Diagnostic accuracy was assessed by using receiver operating characteristic analysis. Vp_ Φ and K(trans)_Φ values were lower for grade II compared with grade III astrocytomas (P < .05). Vp_SI and K(trans)_SI were not significantly different between grade II and grade III astrocytomas (P = .08-0.15). Relative CBV and dynamic contrast-enhanced MR imaging parameters except for K(trans)_SI were lower for grade III compared with grade IV (P ≤ .05). In differentiating low- and high-grade astrocytomas, we found no statistically significant difference in diagnostic accuracy between relative CBV and dynamic contrast-enhanced MR imaging parameters. In the preoperative grading of astrocytomas, the diagnostic accuracy of dynamic contrast-enhanced MR imaging parameters is similar to that of relative CBV. © 2015 by American Journal of Neuroradiology.

Time varying prediction of thoughts of death and suicidal ideation in adolescents: weekly ratings over 6-month follow-up.

PubMed

Selby, Edward A; Yen, Shirley; Spirito, Anthony

2013-01-01

Suicidal ideation (SI) and thoughts of death are often experienced as fluctuating; therefore a dynamic representation of this highly important indicator of suicide risk is warranted. Theoretical accounts have suggested that affective, behavioral, and interpersonal factors may influence the experience of thoughts of death/SI. This study aimed to examine the prospective and dynamic impact of these constructs in relation to thoughts of death and SI. We assessed adolescents with a recent hospitalization for elevated suicide risk over 6 months. Using the methodology of the Longitudinal Interval Follow-Up Evaluation, weekly ratings for SI, course of depressive illness, affect sensitivity, negative affect intensity, behavioral dysregulation, peer invalidation, and family invalidation were obtained. Using multilevel modeling, results indicated that (a) same-week ratings between these constructs and SI were highly correlated at baseline and throughout follow-up; (b) baseline ratings of affect sensitivity, behavioral dysregulation, and peer invalidation were positive prospective predictors of SI at any week of follow-up; (c) weekly ratings of each of these constructs had significant associations with next-week ratings of SI; and (d) ratings of SI had positive significant associations with next-week ratings on each of the constructs. These results suggest that affective sensitivity, behavioral dysregulation, peer invalidation, and SI are highly associated with SI levels both chronically (over months) and acutely (one week to the next), whereas depression, negative affect intensity, and family invalidation were more acutely predictive of SI. Elevated SI may then aggravate all these factors in a reciprocal manner.

A Initio Theoretical Studies of Surfaces of Semiconductors

NASA Astrophysics Data System (ADS)

Wang, Jing

1993-01-01

The first semiconductor which we study with these techniques is the archetypal elemental semiconductor, silicon. We present the first extensive study of point defects on Si(100). We identify the principal defects and two primary mechanisms responsible for their dominance: the need to eliminate dangling bonds on the surface and the need to compensate the strain induced by topological effects. Furthermore, we present evidence that the presence of point defects on the Si(100) surface is not intrinsic to the ground state of the surface as a stress relieving mechanism but rather is due merely to thermal fluctuations. We address materials issues associated with the identification of the lowest energy surfaces of GaAs and the determination of the geometric structure of a GaAs crystallite growing freely in three dimensions. The fracture energies associated with (110), (100) and (111) interface planes are calculated and a Wulff construction indicates that an ideal stoichiometric GaAs crystal should be terminated with (110) surfaces. We investigate the more complex issues that arise on surfaces when aspects of these two semiconductors are mixed. We investigate the problem of growing GaAs on the Si(100) surface and demonstrate how and why the most fundamental properties of the resulting bulk GaAs material, such as its crystalline orientation, may depend sensitively on the interplay between growth conditions such as temperature and the properties of the Si surface. For stepped Si(100) -As, we show that the growth of As directly on top of the Si surface produces a metastable state, while the replacement of the original top Si layer leads to a lower energy configuration, with the rearrangement of the surface driven by the relaxation of stress by surface steps. Finally, we study delta -doping, where one attempts to grow a single layer of Si on a GaAs surface before continuing with the growth of bulk GaAs. We shall employ a slightly different modality of the ab initio approach. We shall use the predictive power of the ab initio approach to help guide experimental interpreation of otherwise enigmatic STM measurements. In particular, we will demonstrate by example that the predictive power of ab initio calculation allows one to harness the native chemical selectivity of the scanning tunneling electron microscope (STM) and produce an unambiguous and fully interpretable non-destructive chemical probe at the atomic level. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253 -1690.) (Abstract shortened by UMI.).

Surface-pattern geometry, topography, and chemical modifications during KrF excimer laser micro-drilling of p-type Si (111) wafers in ambient environment of HCl fumes in air

NASA Astrophysics Data System (ADS)

Zakria Butt, Muhammad; Saher, Sobia; Waqas Khaliq, Muhammad; Siraj, Khurram

2016-11-01

Eight mirror-like polished p-type Si (111) wafers were irradiated with 100, 200, 300, 400, 800, 1200, 1600, and 2000 KrF excimer laser pulses in ambient environment of HCl fumes in air. The laser parameters were: wavelength = 248 nm, pulse width = 20 ns, pulse energy = 20 mJ, and repetition rate = 20 Hz. For each set of laser pulses, characterization of the rectangular etched patterns formed on target surface was done by optical/scanning electron microscopy, XRD, and EDX techniques. The average etched depth increased with the increase in number of laser pulses from 100 to 2000 in accord with Sigmoidal (Boltzmann) function, whereas the average etch rate followed an exponential decay with the increase in number of laser pulses. However, the etched area, maximum etched depth, and maximum etch rate were found to increase linearly with the number of laser pulses, but the rate of increase was faster for 100-400 laser pulses (region I) than that for 800-2000 laser pulses (region II). The elemental composition for each etched-pattern determined by EDX shows that both O and Cl contents increase progressively with the increase in the number of laser shots in region I. However, in region II both O and Cl contents attain saturation values of about 39.33 wt.% and 0.14 wt.%, respectively. Perforation of Si wafers was achieved on irradiation with 1200-2000 laser pulses. XRD analysis confirmed the formation of SiO2, SiCl2 and SiCl4 phases in Si (111) wafers due to chemical reaction of silicon with both HCl fumes and oxygen in air.

The role of capsaicin-sensitive C-fiber afferent pathways in the control of micturition in spinal-intact and spinal cord-injured mice.

PubMed

Kadekawa, Katsumi; Majima, Tsuyoshi; Shimizu, Takahiro; Wada, Naoki; de Groat, William C; Kanai, Anthony J; Goto, Momokazu; Yoshiyama, Mitsuharu; Sugaya, Kimio; Yoshimura, Naoki

2017-09-01

We examined bladder and urethral sphincter activity in mice with or without spinal cord injury (SCI) after C-fiber afferent desensitization induced by capsaicin pretreatment and changes in electrophysiological properties of mouse bladder afferent neurons 4 wk after SCI. Female C57BL/6N mice were divided into four groups: 1 ) spinal intact (SI)-control, 2 ) SI-capsaicin pretreatment (Cap), 3 ) SCI-control, and 4 ) SCI-Cap groups. Continuous cystometry and external urethral sphincter (EUS)-electromyogram (EMG) were conducted under an awake condition. In the Cap groups, capsaicin (25, 50, or 100 mg/kg) was injected subcutaneously 4 days before the experiments. In the SI-Cap group, 100 mg/kg capsaicin pretreatment significantly increased bladder capacity and decreased the silent period duration of EUS/EMG compared with the SI-control group. In the SCI-Cap group, 50 and 100 mg/kg capsaicin pretreatment decreased the number of nonvoiding contractions (NVCs) and the duration of reduced EUS activity during voiding, respectively, compared with the SCI-control group. In SCI mice, hexamethonium, a ganglionic blocker, almost completely blocked NVCs, suggesting that they are of neurogenic origin. Patch-clamp recordings in capsaicin-sensitive bladder afferent neurons from SCI mice showed hyperexcitability, which was evidenced by decreased spike thresholds and increased firing rate compared with SI mice. These results indicate that capsaicin-sensitive C-fiber afferent pathways, which become hyperexcitable after SCI, can modulate bladder and urethral sphincter activity in awake SI and SCI mice. Detrusor overactivity as shown by NVCs in SCI mice is significantly but partially dependent on capsaicin-sensitive C-fiber afferents, whereas the EUS relaxation during voiding is enhanced by capsaicin-sensitive C-fiber bladder afferents in SI and SCI mice. Copyright © 2017 the American Physiological Society.

Lifetime costs and effectiveness of ReSTOR compared with a monofocal IOL and Array-SA40 in the Netherlands.

PubMed

De Vries, N E; Laurendeau, C; Lafuma, A; Berdeaux, G; Nuijts, R M M A

2010-04-01

To estimate the lifetime cost consequences for society and the National Health Service (NHS) of bilateral monofocal (SI40NB) or multifocal (ReSTOR or Array-SA40) intraocular lense (IOL) implantation after cataract surgery. Public hospital in the Netherlands. A Markov model simulated three cohorts of patients followed 69 until 100 years of age, or death. Spectacle independence rates for each IOL were adjusted to the results of a randomized clinical trial that compared monofocal and multifocal Array-SA40 IOL implants, together with a prospective cohort of patients implanted with ReSTOR. Adjustment was performed using the propensity score method in a multivariate analysis. Resource consumption was estimated from a dedicated Dutch survey. Dutch unit costs were applied to spectacles, cataract surgery, IOLs, visits to ophthalmologists, optometrists, transport, and spectacle cleaning materials. Cost discounted at 4% and undiscounted economic results were calculated. Spectacle independence rates were 86.0% for ReSTOR, 8.7% for monofocal IOLs, and 8.5% for Array-SA40. Patients lived without needing spectacles for 12.9 years after ReSTOR, for 1.4 years after monofocal IOLs, and 1.3 years after Array-SA40. ReSTOR patients bought 6.4 fewer pairs of spectacles than monofocal patients. Lifetime discounted cost consequences for the society were ReSTOR euro3969, monofocal IOLs euro4123, and Array-SA40 euro5326. Corresponding costs for the NHS were euro2415, euro2555, and euro2556, respectively. ReSTOR IOLs provided higher levels of spectacle independence than monofocal SI40NB or multifocal Array-SA40 IOLs resulting in savings, compared to a monofocal, over the period modelled of euro315 for society and euro140 for the NHS.

Overview of Single-Molecule Speckle (SiMS) Microscopy and Its Electroporation-Based Version with Efficient Labeling and Improved Spatiotemporal Resolution.

PubMed

Yamashiro, Sawako; Watanabe, Naoki

2017-07-06

Live-cell single-molecule imaging was introduced more than a decade ago, and has provided critical information on remodeling of the actin cytoskeleton, the motion of plasma membrane proteins, and dynamics of molecular motor proteins. Actin remodeling has been the best target for this approach because actin and its associated proteins stop diffusing when assembled, allowing visualization of single-molecules of fluorescently-labeled proteins in a state specific manner. The approach based on this simple principle is called Single-Molecule Speckle (SiMS) microscopy. For instance, spatiotemporal regulation of actin polymerization and lifetime distribution of actin filaments can be monitored directly by tracking actin SiMS. In combination with fluorescently labeled probes of various actin regulators, SiMS microscopy has contributed to clarifying the processes underlying recycling, motion and remodeling of the live-cell actin network. Recently, we introduced an electroporation-based method called eSiMS microscopy, with high efficiency, easiness and improved spatiotemporal precision. In this review, we describe the application of live-cell single-molecule imaging to cellular actin dynamics and discuss the advantages of eSiMS microscopy over previous SiMS microscopy.

An integrated general purpose SiPM based optical module with a high dynamic range

NASA Astrophysics Data System (ADS)

Bretz, T.; Engel, R.; Hebbeker, T.; Kemp, J.; Middendorf, L.; Peters, C.; Schumacher, J.; Šmída, R.; Veberič, D.

2018-06-01

Silicon photomultipliers (SiPMs) are semiconductor-based light-sensors offering a high gain, a mechanically and optically robust design and high photon detection efficiency. Due to these characteristics, they started to replace conventional photomultiplier tubes in many applications in recent years. This paper presents an optical module based on SiPMs designed for the application in scintillators as well as lab measurements. The module hosts the SiPM bias voltage supply and three pre-amplifiers with different gain levels to exploit the full dynamic range of the SiPMs. Two SiPMs, read-out in parallel, are equipped with light guides to increase the sensitive area. The light guides are optimized for the read-out of wavelength shifting fibers as used in many plastic scintillator detectors. The optical and electrical performance of the module is characterized in detail in laboratory measurements. Prototypes have been installed and tested in a modified version of the Scintillator Surface Detector developed for AugerPrime, the upgrade of the Pierre Auger Observatory. The SiPM module is operated in the Argentinian Pampas and first data proves its usability in such harsh environments.

Synthesis and Characterization of Silicon Nanowires by Electroless Etching

NASA Astrophysics Data System (ADS)

Bhujel, Rabina; Rizal, Umesh; Agarwal, Amit; Swain, Bhabani S.; Swain, Bibhu P.

2018-02-01

Silicon nanowires (SiNWs) were synthesized by two-step electroless etching of p-type Si (100) wafer and characterized by field emission scanning electron microscopy, UV-Vis spectroscopy, x-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and Raman spectroscopy. The vibrational signature at 1108 and 2087 cm-1 confirmed SiNWs were passivated by both oxygen and hydrogen atoms. Raman peak at 517 cm-1 indicated crystalline SiNWs with tailing toward redshift due to Fano effect. The Si(2p) and Si(2s) core orbital spectra of SiNWs were found at 99.8 and 150.5 eV, respectively. Moreover, the reflection of SiNWs is minimized to 1 to 5% in the 650-nm wavelength.

Young's modulus and internal friction of the SiC/Si biomorphic composite based on the sapele wood precursor

NASA Astrophysics Data System (ADS)

Kardashev, B. K.; Orlova, T. S.; Smirnov, B. I.; de Arellano-Lopez, A. R.; Martinez-Fernandez, J.

2009-04-01

The effect of the vibrational strain amplitude on the Young’s modulus and ultrasound absorption (internal friction) of a SiC/Si biomorphic composite prepared by pyrolysis of sapele wood followed by infiltration of silicon were investigated. The studies were conducted in air and in vacuum by the acoustic resonance method with the use of a composite vibrator in longitudinal vibrations at frequencies of about 100 kHz. Measurements performed on sapele wood-based bio-SiC/Si samples revealed a substantial effect of adsorption-desorption of molecules contained in air on the effective elasticity modulus and elastic vibration decrement. Microplastic characteristics of the SiC/Si composites prepared from wood of different tree species were compared.

Optical and Nonlinear Optical Response of Light Sensor Thin Films

PubMed Central

Liu, Huimin; Rua, Armando; Vasquez, Omar; Vikhnin, Valentin S.; Fernandez, Felix E.; Fonseca, Luis F.; Resto, Oscar; Weisz, Svi Z.

2005-01-01

For potential ultrafast optical sensor application, both VO2 thin films and nanocomposite crystal-Si enriched SiO2 thin films grown on fused quartz substrates were successfully prepared using pulsed laser deposition (PLD) and RF co-sputtering techniques. In photoluminescence (PL) measurement c-Si/SiO2 film contains nanoparticles of crystal Si exhibits strong red emission with the band maximum ranging from 580 to 750 nm. With ultrashort pulsed laser excitation all films show extremely intense and ultrafast nonlinear optical (NLO) response. The recorded holography from all these thin films in a degenerate-four-wave-mixing configuration shows extremely large third-order response. For VO2 thin films, an optically induced semiconductor-to-metal phase transition (PT) immediately occurred upon laser excitation. it accompanied. It turns out that the fast excited state dynamics was responsible to the induced PT. For c-Si/SiO2 film, its NLO response comes from the contribution of charge carriers created by laser excitation in conduction band of the c-Si nanoparticles. It was verified by introducing Eu3+ which is often used as a probe sensing the environment variations. It turns out that the entire excited state dynamical process associated with the creation, movement and trapping of the charge carriers has a characteristic 500 ps duration.