Carrier concentration dependence of donor activation energy in n-type GaN epilayers grown on Si (111) by plasma-assisted MBE

The n-type GaN layers were grown by plasma-assisted MBE and either intentionally doped with Si or unintentionally doped. The optical characteristics of a donor level in Si-doped, GaN were studied in terms of photoluminescence (PL) spectroscopy as a function of electron concentration. Temperature dependent PL measurements allowed us to estimate the activation energy of a Si-related donor from temperature-induced decay of PL intensity. PL peak positions, full width at half maximum of PL and activation energies are found to be proportional to the cube root of carrier density. The involvement of donor levels is supported by the temperature-dependent electron concentration measurements. (C) 2012 Elsevier Ltd. All rights reserved.

Mechanical properties of ZnS nanowires and thin films: Microscopic origin of the dependence on size and growth direction

Mechanical properties of ZnS nanowires and thin films are studied as a function of size and growth direction using all-atom molecular dynamics simulations. Using the stress-strain relationship we extract Young's moduli of nanowires and thin films at room temperature. Our results show that Young's modulus of 0001] nanowires has strong size dependence. On the other hand, 01 (1) over bar0] nanowires do not exhibit a strong size dependence of Young's modulus in the size range we have investigated. We provide a microscopic understanding of this behavior on the basis of bond stretching and contraction due to the rearrangement of atoms in the surface layers. The ultimate tensile strengths of the nanowires do not show much size dependence. To investigate the mechanical behavior of ZnS in two dimensions, we calculate Young's modulus of thin films under tensile strain along the 0001] direction. Young's modulus of thin films converges to the bulk value more rapidly than that of the 0001] nanowire.

Temperature dependence of spin lifetime of conduction electrons in bulk germanium

Optically generated spin polarized electrons in bulk n-type Ge samples have been detected by using a radio-frequency modulation technique. Using the Hanle effect in an external magnetic field, the spin lifetime was measured as a function of temperature in the range 90 K to 180 K. The lifetime decreases with increasing temperature from similar to 5 ns at 100 K to similar to 2 ns at 180 K. We show that the temperature dependence is consistent with the Elliott-Yafet spin relaxation mechanism R. J. Elliot, Phys. Rev. 96, 266 (1954)]. (C) 2012 American Institute of Physics. http://dx.doi.org/10.1063/1.4772500]

Selective excitation and detection of maximum quantum coherence of a group of scalar coupled protons in chiral molecules: an NMR experiment for enantiodiscrimination

The H-1 NMR spectroscopic discrimination of enantiomers in the solution state and the measurement of enantiomeric composition is most often hindered due to either very small chemical shift differences between the discriminated peaks or severe overlap of transitions from other chemically non-equivalent protons. In addition the use of chiral auxiliaries such as, crown ether and chiral lanthanide shift reagent may often cause enormous line broadening or give little degree of discrimination beyond the crown ether substrate ratio, hampering the discrimination. In circumventing such problems we are proposing the utilization of the difference in the additive values of all the chemical shifts of a scalar coupled spin system. The excitation and detection of appropriate highest quantum coherence yields the measurable difference in the frequencies between two transitions, one pertaining to each enantiomer in the maximum quantum dimension permitting their discrimination and the F-2 cross section at each of these frequencies yields an enantiopure spectrum. The advantage of the utility of the proposed method is demonstrated on several chiral compounds where the conventional one dimensional H-1 NMR spectra fail to differentiate the enantiomers.

Sub-band envelope approach to obtain instants of significant excitation in speech

In this paper, we propose a new sub-band approach to estimate the glottal activity. The method is based on the spectral harmonicity and the sub-band temporal properties of voiced speech. We propose a method to represent glottal excitation signal using sub-band temporal envelope. Instants of maximum glottal excitation or Glottal Closure Instants (GCI) are extracted from the estimated glottal excitation pattern and the result is compared with a standard GCI computation method, DYPSA [1]. The performance of the algorithm is also compared for the noisy signal and it is shown that the proposed method is less variant to GCI estimation under noisy conditions compared to DYPSA. The algorithm is evaluated on the CMU-ARCTIC database.

Dependence of electron recombination time and light to electricity conversion efficiency on shape of the nanocrystal light sensitizer

Tunability of electron recombination time and light to electricity conversion efficiency to superior values in semiconductor sensitized solar cells via optimized design of nanocrystal light sensitizer shape is discussed here.

Chemical unfolding of chicken villin headpiece in aqueous dimethyl sulfoxide solution: cosolvent concentration dependence, pathway, and microscopic mechanism

Unfolding of a protein often proceeds through partial unfolded intermediate states (PUIS). PUIS have been detected in several experimental and simulation studies. However, complete analyses of transitions between different PUIS and the unfolding trajectory are sparse. To understand such dynamical processes, we study chemical unfolding of a small protein, chicken villin head piece (HP-36), in aqueous dimethyl sulfoxide (DMSO) solution. We carry out molecular dynamics simulations at various solution compositions under ambient conditions. In each concentration, the initial step of unfolding involves separation of two adjacent native contacts, between phenyl alanine residues (11-18 and 7-18). This first step induces, under appropriate conditions, subsequent separation among other hydrophobic contacts, signifying a high degree of cooperativity in the unfolding process. The observed sequence of structural changes in HP-36 on increasing DMSO concentration and the observed sequence of PUIS, are in approximate agreement with earlier simulation results (in pure water) and experimental observations on unfolding of HP-36. Peculiar to water-DMSO mixture, an intervening structural transformation (around 15% of DMSO) in the binary mixture solvent retards the progression of unfolding as composition is increased. This is reflected in a remarkable nonmonotonic composition dependence of RMSD, radius of gyration and the fraction of native contacts. At 30% mole fraction of DMSO, we find the extended randomly coiled structure of the unfolded protein. The molecular mechanism of DMSO induced unfolding process is attributed to the initial preferential solvation of the hydrophobic side chain atoms through the methyl groups of DMSO, followed by the hydrogen bonding of the oxygen atom of DMSO to the exposed backbone NH groups of HP-36.

Runtime dependence computation and execution of loops on heterogeneous systems

GPUs have been used for parallel execution of DOALL loops. However, loops with indirect array references can potentially cause cross iteration dependences which are hard to detect using existing compilation techniques. Applications with such loops cannot easily use the GPU and hence do not benefit from the tremendous compute capabilities of GPUs. In this paper, we present an algorithm to compute at runtime the cross iteration dependences in such loops. The algorithm uses both the CPU and the GPU to compute the dependences. Specifically, it effectively uses the compute capabilities of the GPU to quickly collect the memory accesses performed by the iterations by executing the slice functions generated for the indirect array accesses. Using the dependence information, the loop iterations are levelized such that each level contains independent iterations which can be executed in parallel. Another interesting aspect of the proposed solution is that it pipelines the dependence computation of the future level with the actual computation of the current level to effectively utilize the resources available in the GPU. We use NVIDIA Tesla C2070 to evaluate our implementation using benchmarks from Polybench suite and some synthetic benchmarks. Our experiments show that the proposed technique can achieve an average speedup of 6.4x on loops with a reasonable number of cross iteration dependences.

Excitation- and power-dependent photoluminescence from oxidized Ge

Wafer/microcrystallites of oxidized Ge with holes/nanoholes synthesized by thermal oxidation strategy from Ge wafer/microcrystallites can convert one wavelength to another. Both oxidized Ge wafer and microcrystallites shows excitation- and power-dependent luminescence. Red-shift is observed as the excitation wavelength is increased, while blue-shift is observed as power density is increased. Over all, blue-green-yellow-orange luminescence is observed depending on the excitation wavelength and the morphology of oxidized Ge. The various defects level associated with germanium-oxygen vacancies in GeO2 and Ge/GeO2 interface are responsible for the excitation-dependent luminescence. Being a light-conversion material, oxidized Ge is expected to find potential applications in solid-state lighting, photovoltaic devices and photocatalysis.

Adiabatic eigenfunction-based approach for coherent excitation transfer: An almost analytical treatment of the Fenna-Matthews-Olson complex

We suggest a method of studying coherence in finite-level systems coupled to the environment and use it for the Hamiltonian that has been used to describe the light-harvesting pigment-protein complex. The method works with the adiabatic states and transforms the Hamiltonian to a form in which the terms responsible for decoherence and population relaxation are separated out. Decoherence is then accounted for nonperturbatively and population relaxation using a Markovian master equation. Almost analytical results can be obtained for the seven-level system, and the calculations are very simple for systems with more levels. We apply the treatment to the seven-level system, and the results are in excellent agreement with the exact numerical results of Nalbach et al. Nalbach, Braun, and Thorwart, Phys. Rev. E 84, 041926 (2011)]. Our approach is able to account for decoherence and population relaxation separately. It is found that decoherence causes only damping of oscillations and does not lead to transfer to the reaction center. Population relaxation is necessary for efficient transfer to the reaction center, in agreement with earlier findings. Our results show that the transformation to the adiabatic basis followed by a Redfield type of approach leads to results in good agreement with exact simulation.

Visualization of coherent structures in turbulent subsonic jet using planar laser induced fluorescence of acetone

In this paper, we present the molecular density distribution measurement in turbulent nitrogen jet (Re approximate to 3 x 10(3)), using acetone as molecular tracer. The tracer was seeded in the nitrogen jet by purging through the liquid acetone at ambient temperature. Planar laser sheet of 266 nm wavelength from frequency quadrupled, Q-switched, Nd:YAG laser was used as an excitation source. Emitted fluorescence images of jet flow field were recorded on CMOS camera. The dependence of planar laser induced fluorescence (PLIF) intensity on acetone vapor density was used to convert PLIF image of nitrogen jet into the density image on pixel-by-pixel basis. Instantaneous quantitative density image of nitrogen jet, seeded with acetone, was obtained. The arrowhead-shaped coherent turbulent structures were observed in the present work. It was found that coherent structures were non-overlapping with separate boundaries. Breaking of coherent structures into turbulence was clearly observed above four times jet width.

Temperature dependence of indentation recovery ratios in austenitic and martensitic shape memory alloys

Instrumented microindentation (IM) on two Ni-Ti shape memory alloys (SMAs), where one is austenitic and the other is martensitic at room temperature, were conducted from 40 to 150 degrees C. Results show that the depth and work recovery ratios, eta(d) and eta(w) respectively, are complementary to each other. While eta(d) decreases gradually with temperature for austenite, it drops markedly for the martensite in the martensite-to-austenite transformation regime. These results affirm the utility of IM for characterizing SMAs.

Temperature dependence of resistance and crystallization in amorphous Si15Te85-xGex thin films

Amorphous thin chalcogenide Si15Te85-xGex films (x: 5, 9, 10, 11, 12) are prepared by flash evaporation and the temperature dependence of resistance of these films has been studied in the temperature range 25-250 degrees C. All the compositions show a linear variation of resistance in this temperature range. Apart from the linear variation, a sharp reduction in resistance at one or at two distinct temperatures (T-TR1/T-TR2) is seen. Thin films annealed at these temperatures, when subjected to X-ray diffraction studies suggest that the dominant crystalline phase at T-TR1 and at T-TR2 is the same and the two dips are associated with varying levels of crystallization. This is also reflected in the atomic force microscopic (AFM) study. Further, the resistance of these two phases shows no drift when the films are annealed for varying lengths of time (10 min to 120 min) suggesting the stability of the phases.

Microwave, infrared-microwave double resonance, and theoretical studies of C2H4 center dot center dot center dot H2S complex

In this manuscript, rotational spectra of four new isotopologues of the S-H center dot center dot center dot pi bonded C2H4 center dot center dot center dot H2S complex, i.e., C2D4 center dot center dot center dot H2S, C2D4 center dot center dot center dot D2S, C2D4 center dot center dot center dot HDS, and (CCH4)-C-13 center dot center dot center dot H2S have been reported and analyzed. All isotopologues except C2D4 center dot center dot center dot HDS show a four line pattern whereas a doubling of the transition frequencies was observed for C2D4 center dot center dot center dot HDS. These results together with our previous report on the title complex M. Goswami, P. K. Mandal, D. J. Ramdass, and E. Arunan, Chem. Phys. Lett. 393(1-3), 22-27 (2004)] confirm that both subunits (C2H4 and H2S) are involved in large amplitude motions leading to a splitting of each rotational transition to a quartet. Further, the results also confirm that the motions which are responsible for the observed splittings involve both monomers. Molecular symmetry group analysis, considering the interchange of equivalent H atoms in H2S and C2H4 could explain the observed four line pattern and their intensities in the microwave spectrum. In addition, hydride stretching fundamentals of the complex were measured using coherence-converted population transfer Fourier Transform Microwave-infrared (IR-MW double resonance) experiments in the S-H and C-H stretch regions. Changes in the tunneling splittings upon vibrational excitation are consistent with the isotopic dependence of pure rotational transitions. A complexation shift of 2.7-6.5 cm(-1) has been observed in the two fundamental S-H stretching modes of the H2S monomer in the complex. Vibrational pre-dissociation in the bound S-H stretch has been detected whereas the instrument-limited line-shapes in other S-H and C-H stretches indicate slower pre-dissociation rate. Some local perturbations in the vibrational spectra have been observed. Two combination bands have been observed corresponding to both the S-H stretching fundamentals and what appears to be the intermolecular stretching mode at 55 cm(-1). The tunneling splitting involved in the rotation of C2H4 unit has been deduced to be 1.5 GHz from the IR-MW results. In addition, ab initio barrier heights derived for different motions of the monomers support the experimental results and provide further insight into the motions causing the splitting. (C) 2013 AIP Publishing LLC.