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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 415 records · Page 23

An applied light-beam induced current study of dye-sensitised solar cells: Photocurrent uniformity mapping and true photoactive area evaluation

The conditions for light-beam induced current (LBIC) measurement were experimentally optimised for dye-sensitised solar cells. The impacts of too fast a laser diode modulation frequency (f) and too short a dwell time (t{sub 0}) were investigated for their distortions, artefacts, and noise on the overall photocurrent map image. Optimised mapping conditions for fastest measurement were obtained at a f = 15 Hz and t{sub 0} = 900 ms. Whole device maps (nominal area 4 × 4 mm{sup 2}) were obtained on devices in which fabrication defects were intentionally induced. The defects were readily resolved with the LBIC setup and conditions. The inclusion of defects had the effect of broadening the photocurrent distribution and producing a sub-optimal tail to photocurrent histograms. Photoactive areas were derived from LBIC maps and were larger than those predicted by the projected screen printing pattern by up to 25%, which has obvious implications for efficiency measurements made on nominal projected active area.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nucleation, transition, and maturing of the self-assembled Au droplets on various type-A GaAs substrates

In this study, the fabrication of self-assembled Au droplets is successfully demonstrated on various type-A GaAs substrates: (711)A, (511)A, (411)A, and (311)A. The nucleation of the self-assembled tiny Au clusters is observed at 300 °C. As an intermediate stage, corrugated Au nanostructures are clearly observed at 350 °C on various type-A GaAs surfaces, rarely witnessed on other substrates. Based on the Volmer-Weber growth mode, the dome-shaped Au droplets with excellent uniformities are successfully fabricated between 500 and 550 °C. As a function of annealing temperature, the self-assembled Au droplets show the increased dimensions including average height and diameter, compensated by the decreased average density. Depending on the substrate indices utilized, the size and density of Au droplets show clear differences throughout the whole temperature range. The results are symmetrically analyzed by using atomic force microscope images, cross-sectional line-profiles, size and density plots, height distribution histograms, and Fourier filter transform power spectra.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Radiation-induced complications in prostate cancer patients treated with radiotherapy

The purpose of the study is to determine the relationship between radiation-induced complications with dosimetric and radiobiological parameters for prostate cancer patients that underwent the conformal radiotherapy treatment. 17 prostate cancer patients that have been treated with conformal radiotherapy were retrospectively analysed. The dosimetric data was retrieved in the form of dose-volume histogram (DVH) from Radiotherapy Treatment Planning System. The DVH was utilised to derived Normal Tissue Complication Probability (NTCP) in radiobiological data. Follow-up data from medical records were used to grade the occurrence of acute gastrointestinal (GI) and genitourinary (GU) complications using Radiation Therapy Oncology Group (RTOG) scoring system. The chi-square test was used to determine the relationship between radiation-induced complication with dosimetric and radiobiological parameters. 8 (47%) and 7 (41%) patients were having acute GI and GU complications respectively. The acute GI complication can be associated with V60{sub rectum}, rectal mean dose and NTCP{sub rectum} with p-value of 0.016, 0.038 and 0.049 respectively. There are no significant relationships of acute GU complication with dosimetric and radiobiological variables. Further study can be done by increase the sample size and follow up duration for deeper understanding of the factors that effecting the GU and GI complication in prostate cancer radiotherapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method

The generalized Replica Exchange Method (gREM) was applied to study a solid-liquid phase transition in a nanoconfined bilayer water system using the monatomic water (mW) model. Exploiting optimally designed non-Boltzmann sampling weights with replica exchanges, gREM enables an effective sampling of configurations that are metastable or unstable in the canonical ensemble via successive unimodal energy distributions across phase transition regions, often characterized by S-loop or backbending in the statistical temperature. Extensive gREM simulations combined with Statistical Temperature Weighted Histogram Analysis Method (ST-WHAM) for nanoconfined mW water at various densities provide a comprehensive characterization of diverse thermodynamic and structural properties intrinsic to phase transitions. Graph representation of minimized structures of bilayer water systems determined by the basin-hopping global optimization revealed heterogeneous ice structures composed of pentagons, hexagons, and heptagons, consistent with an increasingly ordered solid phase with decreasing density. Apparent crossover from a first-order solid-liquid transition to a continuous one in nanoconfined mW water with increasing density of the system was observed in terms of a diminishing S-loop in the statistical temperature, smooth variation of internal energies and heat capacities, and a characteristic variation of lateral radial distribution functions, and transverse density profiles across transition regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A study of self organized criticality in ion temperature gradient mode driven gyrokinetic turbulence

An investigation on the characteristics of self organized criticality (Soc) in ITG mode driven turbulence is made, with the use of various statistical tools (histograms, power spectra, Hurst exponents estimated with the rescaled range analysis, and the structure function method). For this purpose, local non-linear gyrokinetic simulations of the cyclone base case scenario are performed with the GENE software package. Although most authors concentrate on global simulations, which seem to be a better choice for such an investigation, we use local simulations in an attempt to study the locally underlying mechanisms of Soc. We also study the structural properties of radially extended structures, with several tools (fractal dimension estimate, cluster analysis, and two dimensional autocorrelation function), in order to explore whether they can be characterized as avalanches. We find that, for large enough driving temperature gradients, the local simulations exhibit most of the features of Soc, with the exception of the probability distribution of observables, which show a tail, yet they are not of power-law form. The radial structures have the same radial extent at all temperature gradients examined; radial motion (transport) though appears only at large temperature gradients, in which case the radial structures can be interpreted as avalanches.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The energy landscape of glassy dynamics on the amorphous hafnium diboride surface

Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB{sub 2} glass surface, two-state hopping of 1–2 nm diameter cooperatively rearranging regions or “clusters” occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (<0.5 nm) imaging, scanning tunneling spectroscopy and voltage modulation, ruling out individual atoms, diffusing adsorbates, or pinned charges as the origin of the observed two-state hopping. Smaller clusters are more likely to hop, larger ones are more likely to be immobile. HfB{sub 2} has a very high bulk glass transition temperature T{sub g}, and we observe no three-state hopping or sequential two-state hopping previously seen on lower T{sub g} glass surfaces. The electronic density of states of clusters does not change when they hop up or down, allowing us to calibrate an accurate relative z-axis scale. By directly measuring and histogramming single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how “mixed” features can show up in surface dynamics of glasses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Measurement of probability distributions for internal stresses in dislocated crystals

Here, we analyse residual stress distributions obtained from various crystal systems using high resolution electron backscatter diffraction (EBSD) measurements. Histograms showing stress probability distributions exhibit tails extending to very high stress levels. We demonstrate that these extreme stress values are consistent with the functional form that should be expected for dislocated crystals. Analysis initially developed by Groma and co-workers for X-ray line profile analysis and based on the so-called “restricted second moment of the probability distribution” can be used to estimate the total dislocation density. The generality of the results are illustrated by application to three quite different systems, namely, face centred cubic Cu deformed in uniaxial tension, a body centred cubic steel deformed to larger strain by cold rolling, and hexagonal InAlN layers grown on misfitting sapphire and silicon carbide substrates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Microscopic origin of the 1.3 G{sub 0} conductance observed in oxygen-doped silver quantum point contacts

Besides the peak at one conductance quantum, G{sub 0}, two additional features at ∼0.4 G{sub 0} and ∼1.3 G{sub 0} have been observed in the conductance histograms of silver quantum point contacts at room temperature in ambient conditions. In order to understand such feature, here we investigate the electronic transport and mechanical properties of clean and oxygen-doped silver atomic contacts by employing the non-equilibrium Green's function formalism combined with density functional theory. Our calculations show that, unlike clean Ag single-atom contacts showing a conductance of 1 G{sub 0}, the low-bias conductance of oxygen-doped Ag atomic contacts depends on the number of oxygen impurities and their binding configuration. When one oxygen atom binds to an Ag monatomic chain sandwiched between two Ag electrodes, the low-bias conductance of the junction always decreases. In contrast, when the number of oxygen impurities is two and the O-O axis is perpendicular to the Ag-Ag axis, the transmission coefficients at the Fermi level are, respectively, calculated to be 1.44 for the junction with Ag(111) electrodes and 1.24 for that with Ag(100) electrodes, both in good agreement with the measured value of ∼1.3 G{sub 0}. The calculated rupture force (1.60 nN for the junction with Ag(111) electrodes) is also consistent with the experimental value (1.66 ± 0.09 nN), confirming that the measured ∼1.3 G{sub 0} conductance should originate from Ag single-atom contacts doped with two oxygen atoms in a perpendicular configuration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states

We propose a discrete transition-based reweighting analysis method (dTRAM) for analyzing configuration-space-discretized simulation trajectories produced at different thermodynamic states (temperatures, Hamiltonians, etc.) dTRAM provides maximum-likelihood estimates of stationary quantities (probabilities, free energies, expectation values) at any thermodynamic state. In contrast to the weighted histogram analysis method (WHAM), dTRAM does not require data to be sampled from global equilibrium, and can thus produce superior estimates for enhanced sampling data such as parallel/simulated tempering, replica exchange, umbrella sampling, or metadynamics. In addition, dTRAM provides optimal estimates of Markov state models (MSMs) from the discretized state-space trajectories at all thermodynamic states. Under suitable conditions, these MSMs can be used to calculate kinetic quantities (e.g., rates, timescales). In the limit of a single thermodynamic state, dTRAM estimates a maximum likelihood reversible MSM, while in the limit of uncorrelated sampling data, dTRAM is identical to WHAM. dTRAM is thus a generalization to both estimators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Determination of plasma frequency, damping constant, and size distribution from the complex dielectric function of noble metal nanoparticles

This paper develops a novel method for simultaneously determining the plasma frequency ω{sub P} and the damping constant γ{sub free} in the bulk damped oscillator Drude model, based on experimentally measured real and imaginary parts of the metal refractive index in the IR wavelength range, lifting the usual approximation that restricts frequency values to the UV-deep UV region. Our method was applied to gold, silver, and copper, improving the relative uncertainties in the final values for ω{sub p} (0.5%–1.6%) and for γ{sub free} (3%–8%), which are smaller than those reported in the literature. These small uncertainties in ω{sub p} and γ{sub free} determination yield a much better fit of the experimental complex dielectric function. For the case of nanoparticles (Nps), a series expansion of the Drude expression (which includes ω{sub p} and γ{sub free} determined using our method) enables size-dependent dielectric function to be written as the sum of three terms: the experimental bulk dielectric function plus two size corrective terms, one for free electron, and the other for bound-electron contributions. Finally, size distribution of nanometric and subnanometric gold Nps in colloidal suspension was determined through fitting its experimental optical extinction spectrum using Mie theory based on the previously determined dielectric function. Results are compared with size histogram obtained from Transmission Electron Microscopy (TEM)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Note: The design of thin gap chamber simulation signal source based on field programmable gate array

The Thin Gap Chamber (TGC) is an important part of ATLAS detector and LHC accelerator. Targeting the feature of the output signal of TGC detector, we have designed a simulation signal source. The core of the design is based on field programmable gate array, randomly outputting 256-channel simulation signals. The signal is generated by true random number generator. The source of randomness originates from the timing jitter in ring oscillators. The experimental results show that the random number is uniform in histogram, and the whole system has high reliability.

97 MATHEMATICS AND COMPUTING↗

Time-of-flight Extreme Environment Diffractometer at the Helmholtz-Zentrum Berlin

The Extreme Environment Diffractometer (EXED) is a new neutron time-of-flight instrument at the BER II research reactor at the Helmholtz-Zentrum Berlin, Germany. Although EXED is a special-purpose instrument, its early construction made it available for users as a general-purpose diffractometer. In this respect, EXED became one of the rare examples, where the performance of a time-of-flight diffractometer at a continuous source can be characterized. In this paper, we report on the design and performance of EXED with an emphasis on the unique instrument capabilities. The latter comprise variable wavelength resolution and wavelength band, control of the incoming beam divergence, the possibility to change the angular positions of detectors and their distance to the sample, and use of event recording and offline histogramming. These features combined make EXED easily tunable to the requirements of a particular problem, from conventional diffraction to small angle neutron scattering. The instrument performance is demonstrated by several reference measurements and user experiments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Particle in cell simulation of a radiofrequency plasma jet expanding in vacuum

The effect of a pressure gradient (∼133 Pa–0.133 Pa) on electron and ion energy distributions in a radiofrequency (rf at 13.56 MHz) argon plasma jet is studied using a 1D-3v Particle In Cell (PIC) simulation. The PIC domain is three times that of the 0.018 m long plasma cavity and the total simulation time is 1 ms. Ion heating and acceleration up to a drift velocity about 2000 m s{sup −1} are measured along the jet's main expansion axis. Elastic and charge exchange ion-neutral collisions histograms computed at equilibrium during 0.74 ms show that charge exchange collisions act as the main neutral heating mechanism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A fixed mass method for the Kramers-Moyal expansion—Application to time series with outliers

Extraction of stochastic and deterministic components from empirical data—necessary for the reconstruction of the dynamics of the system—is discussed. We determine both components using the Kramers-Moyal expansion. In our earlier papers, we obtained large fluctuations in the magnitude of both terms for rare or extreme valued events in the data. Calculations for such events are burdened by an unsatisfactory quality of the statistics. In general, the method is sensitive to the binning procedure applied for the construction of histograms. Instead of the commonly used constant width of bins, we use here a constant number of counts for each bin. This approach—the fixed mass method—allows to include in the calculation events, which do not yield satisfactory statistics in the fixed bin width method. The method developed is general. To demonstrate its properties, here, we present the modified Kramers-Moyal expansion method and discuss its properties by the application of the fixed mass method to four representative heart rate variability recordings with different numbers of ectopic beats. These beats may be rare events as well as outlying, i.e., very small or very large heart cycle lengths. The properties of ectopic beats are important not only for medical diagnostic purposes but the occurrence of ectopic beats is a general example of the kind of variability that occurs in a signal with outliers. To show that the method is general, we also present results for two examples of data from very different areas of science: daily temperatures at a large European city and recordings of traffics on a highway. Using the fixed mass method, to assess the dynamics leading to the outlying events we studied the occurrence of higher order terms of the Kramers-Moyal expansion in the recordings. We found that the higher order terms of the Kramers-Moyal expansion are negligible for heart rate variability. This finding opens the possibility of the application of the Langevin equation to the whole range of empirical signals containing rare or outlying events. Note, however, that the higher order terms are non-negligible for the other data studied here and for it the Langevin equation is not applicable as a model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A new development on measurement and control software of SANS BATAN spectrometer (SMARTer) in Serpong, Indonesia

In 2005, the main computer for data acquisition and control system of Small-angle Neutron Scattering (SANS) BATAN Spectrometer (SMARTer) was replaced since it halted to operate the spectrometer. According to this replacement, the new software for data acquisition and control system has been developed in-house. Visual Basic programming language is used in developing the software. In the last two years, many developments have been made both in the hardware and also the software to conduct the experiment is more effective and efficient. Lately, the previous motor controller card (ISA Card) was replaced with the programmable motor controller card (PCI Card) for driving one motor of position sensitive detector (PSD), eight motors of four collimators, and six motors of six pinhole discs. This new control system software makes all motors can be moved simultaneously, then it reduces significantly the consuming time of setting up the instrument before running the experiment. Along with that development, the new data acquisition software under MS Windows operating system is also developed to drive a beam stopper in X-Y directions as well as to read the equipment status such as position of the collimators and PSD, to acquire neutron counts on monitor and PSD detectors, and also to manage 12 samples position automatically. A timer object which is set in one second to read the equipment status via serial port of the computer (RS232C), and general purpose interface board (GPIB) for reading the total counts of each pixel of the PSD from histogram memory was used in this new software. The experiment result displayed in real time on the main window, and the data is saved in the special format for further data reduction and analysis. The new software has been implemented and performed for experiment using a preset count or preset time mode for absolute scattering intensity method.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Photon-counting 1.0 GHz-phase-modulation fluorometer

We have constructed an improved version of a photon-counting phase-modulation fluorometer (PC-PMF) with a maximum modulation frequency of 1.0 GHz, where a phase domain measurement is conducted with a time-correlated single-photon-counting electronics. While the basic concept of the PC-PMF has been reported previously by one of the authors, little attention has been paid to its significance, other than its weak fluorescence measurement capability. Recently, we have recognized the importance of the PC-PMF and its potential for fluorescence lifetime measurements. One important aspect of the PC-PMF is that it enables us to perform high-speed measurements that exceed the frequency bandwidths of the photomultiplier tubes that are commonly used as fluorescence detectors. We describe the advantages of the PC-PMF and demonstrate its usefulness based on fundamental performance tests. In our new version of the PC-PMF, we have used a laser diode (LD) as an excitation light source rather than the light-emitting diode that was used in the primary version. We have also designed a simple and stable LD driver to modulate the device. Additionally, we have obtained a sinusoidal histogram waveform that has multiple cycles within a time span to be measured, which is indispensable for precise phase measurements. With focus on the fluorescence intensity and the resolution time, we have compared the performance of the PC-PMF with that of a conventional PMF using the analogue light detection method.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Computational study of trimer self-assembly and fluid phase behavior

The fluid phase diagram of trimer particles composed of one central attractive bead and two repulsive beads was determined as a function of simple geometric parameters using flat-histogram Monte Carlo methods. A variety of self-assembled structures were obtained including spherical micelle-like clusters, elongated clusters, and densely packed cylinders, depending on both the state conditions and shape of the trimer. Advanced simulation techniques were employed to determine transitions between self-assembled structures and macroscopic phases using thermodynamic and structural definitions. Simple changes in particle geometry yield dramatic changes in phase behavior, ranging from macroscopic fluid phase separation to molecular-scale self-assembly. In special cases, both self-assembled, elongated clusters and bulk fluid phase separation occur simultaneously. Our work suggests that tuning particle shape and interactions can yield superstructures with controlled architecture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Single photon emission up to liquid nitrogen temperature from charged excitons confined in GaAs-based epitaxial nanostructures

We demonstrate a non-classical photon emitter at near infrared wavelength based on a single (In,Ga)As/GaAs epitaxially grown columnar quantum dot. Charged exciton complexes have been identified in magneto-photoluminescence. Photon auto-correlation histograms from the recombination of a trion confined in a columnar dot exhibit sub-Poissonian statistics with an antibunching dip yielding g{sup (2)}(0) values of 0.28 and 0.46 at temperature of 10 and 80 K, respectively. Our experimental findings allow considering the GaAs-based columnar quantum dot structure as an efficient single photon source operating at above liquid nitrogen temperatures, which in some characteristics can outperform the existing solutions of any material system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗