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At least 937 records · Page 52

Research in Computational Astrobiology

We present results from several projects in the new field of computational astrobiology, which is devoted to advancing our understanding of the origin, evolution and distribution of life in the Universe using theoretical and computational tools. We have developed a procedure for calculating long-range effects in molecular dynamics using a plane wave expansion of the electrostatic potential. This method is expected to be highly efficient for simulating biological systems on massively parallel supercomputers. We have perform genomics analysis on a family of actin binding proteins. We have performed quantum mechanical calculations on carbon nanotubes and nucleic acids, which simulations will allow us to investigate possible sources of organic material on the early earth. Finally, we have developed a model of protobiological chemistry using neural networks.

Chaban, Galina↗

Development of a miniaturized, light-weight magnetic sector for a field-portable mass spectrograph

A miniaturized, lightweight magnetic sector for a focal plane mass spectrograph (Mattauch-Herzog design) has been designed and fabricated by using a new high-energy-product magnet material (Nd-B-Fe alloy) and a high permeability magnet yoke material (V-Co-Fe alloy). The magnetic sector weighs less than 10 kg, has a focal plane of 5.1 cm in length, and covers a nominal mass range of 40-240 amu. Such a magnetic sector, in conjunction with an array detector and a short microbore capillary column, is well suited for the development of a field-portable gas chromatograph-mass spectrometer instrument of high performance.

Sinha, M. P.↗

An evaluation of the +/-45 deg tensile test for the determination of the in-plane shear strength of composite materials

The applicability of the +/-45 deg tensile test for the determination of the in-plane shear strength of advanced composite laminates is studied. The assumptions used for the development of the shear strength formulas were examined, and factors such as the specimen geometry and stacking sequence were assessed experimentally. It was found that the strength of symmetric and balanced +/-45 deg laminates depends primarily upon the specimen thickness rather than the specimen width. These findings have important implications for the +/-45 deg tensile test which is recommended by several organizations for the determination of the in-plane shear stress/strain response and the shear strength of continuous fiber reinforced composites. Modifications to the recommended practices for specimen selection and shear strength determination are suggested.

Kellas, S.↗

The criterion of supernova explosion revisited: The mass accretion history

By performing neutrino-radiation hydrodynamic simulations in spherical symmetry (1D) and axial symmetry (2D) with different progenitor models by Woosley and Heger from 12 to 100 M{sub ⊙}, we find that all 1D runs fail to produce an explosion and several 2D runs succeed. The difference in the shock evolutions for different progenitors can be interpreted by the difference in their mass accretion histories, which are in turn determined by the density structures of progenitors. The mass accretion history has two phases in the majority of the models: the earlier phase, in which the mass accretion rate is high and rapidly decreasing, and the later phase, with a low and almost constant accretion rate. They are separated by the so-called turning point, the origin of which is a change of the accreting layer. We argue that shock revival will most likely occur around the turning point and hence that its location in the M-dot --L{sub ν} plane will be a good measure for the possibility of shock revival: if the turning point lies above the critical curve and the system stays there for a long time, shock revival will obtain. In addition, we develop a phenomenological model to approximately evaluate the trajectories in the M-dot --L{sub ν} plane, which, after calibrating free parameters by a small number of 1D simulations, reproduces the location of the turning point reasonably well by using the initial density structure of progenitor alone. We suggest the application of the phenomenological model to a large collection of progenitors in order to infer without simulations which ones are more likely to explode.

79 ASTRONOMY AND ASTROPHYSICS↗

Development of Position-sensitive Transition-edge Sensor X-ray Detectors

We report on the development of position-sensitive transition-edge sensors (PoST's) for future x-ray astronomy missions such as the International X-ray Observatory (IXO), currently under study by NASA and ESA. PoST's consist of multiple absorbers each with a different thermal coupling to one or more transition-edge sensor (TES). This differential thermal coupling between absorbers and TES's results in different characteristic pulse shapes and allows position discrimination between the different pixels. The development of PoST's is motivated by a desire to achieve maximum focal-plane area with the least number of readout channels and as such. PoST's are ideally suited to provide a focal-plane extension to the Constellation-X microcalorimeter array. We report the first experimental results of our latest one and two channel PoST's, which utilize fast thermalizing electroplated Au/Bi absorbers coupled to low noise Mo/Au TES's - a technology already successfully implemented in our arrays of single pixel TES's. We demonstrate 6 eV energy resolution coupled with spatial sensitivity in the keV energy range. We also report on the development of signal processing algorithms to optimize energy and position sensitivity of our detectors.

Smith, S. J.↗

Systems engineering and integration: Advanced avionics laboratories

In order to develop the new generation of avionics which will be necessary for upcoming programs such as the Lunar/Mars Initiative, Advanced Launch System, and the National Aerospace Plane, new Advanced Avionics Laboratories are required. To minimize costs and maximize benefits, these laboratories should be capable of supporting multiple avionics development efforts at a single location, and should be of a common design to support and encourage data sharing. Recent technological advances provide the capability of letting the designer or analyst perform simulations and testing in an environment similar to his engineering environment and these features should be incorporated into the new laboratories. Existing and emerging hardware and software standards must be incorporated wherever possible to provide additional cost savings and compatibility. Special care must be taken to design the laboratories such that real-time hardware-in-the-loop performance is not sacrificed in the pursuit of these goals. A special program-independent funding source should be identified for the development of Advanced Avionics Laboratories as resources supporting a wide range of upcoming NASA programs.

Source record↗

Classifying topology in photonic crystal slabs with radiative environments

Abstract In the recent years, photonic Chern materials have attracted substantial interest as they feature topological edge states that are robust against disorder, promising to realize defect-agnostic integrated photonic crystal slab devices. However, the out-of-plane radiative losses in those photonic Chern slabs has been previously neglected, yielding limited accuracy for predictions of these systems’ topological protection. Here, we develop a general framework for measuring the topological protection in photonic systems, such as in photonic crystal slabs, while accounting for in-plane and out-of-plane radiative losses. Our approach relies on the spectral localizer that combines the position and Hamiltonian matrices of the system to draw a real-picture of the system’s topology. This operator-based approach to topology allows us to use an effective Hamiltonian directly derived from the full-wave Maxwell equations after discretization via finite-elements method (FEM), resulting in the full account of all the system’s physical processes. As the spectral FEM-localizer is constructed solely from FEM discretization of the system’s master equation, the proposed framework is applicable to any physical system and is compatible with commonly used FEM software. Moving forward, we anticipate the generality of the method to aid in the topological classification of a broad range of complex physical systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Low Activation Joining of SiC/SiC Composites for Fusion Applications: Modeling Miniature Torsion Tests with Elastic and Elastic-Plastic Models

The use of SiC and SiC-composites in fission or fusion environments requires joining methods for assembling systems. The international fusion community designed miniature torsion specimens for joint testing and irradiation in test reactors with limited irradiation volumes. These torsion specimens fail out-of-plane when joints are strong and when elastic moduli are within a certain range compared to SiC, which causes difficulties in determining shear strengths for joints or for comparing unirradiated and irradiated joints. A finite element damage model was developed that indicates fracture is likely to occur within the joined pieces to cause out-of-plane failures for miniature torsion specimens when a certain modulus and strength ratio between the joint material and the joined material exists. The model was extended to treat elastic-plastic joints such as SiC/epoxy and steel/epoxy joints tested as validation of the specimen design.

Henager, Charles H.↗

Ballistics Model for Particles on a Horizontal Plane in a Vacuum Propelled by a Vertically Impinging Gas Jet

A simple trajectory model has been developed and is presented. The particle trajectory path is estimated by computing the vertical position as a function of the horizontal position using a constant horizontal velocity and a vertical acceleration approximated as a power law. The vertical particle position is then found by solving the differential equation of motion using a double integral of vertical acceleration divided by the square of the horizontal velocity, integrated over the horizontal position. The input parameters are: x(sub 0) and y(sub 0), the initial particle starting point; the derivative of the trajectory at x(sub 0) and y(sub 0), s(sub 0) = s(x(sub 0))= dx(y)/dy conditional expectation y = y((sub 0); and b where bx(sub 0)/y(sub 0) is the final trajectory angle before gravity pulls the particle down. The final parameter v(sub 0) is an approximation to a constant horizontal velocity. This model is time independent, providing vertical position x as a function of horizontal distance y: x(y) = (x(sub 0) + s(sub 0) (y-y(sub 0))) + bx(sub 0) -(s(sub 0)y(sub 0) ((y - y(sub 0)/y(sub 0) - ln((y/y(sub 0)))-((g(y-y(sub 0)(exp 2))/ 2((v(sub 0)(exp 2). The first term on the right in the above equation is due to simple ballistics and a spherically expanding gas so that the trajectory is a straight line intersecting (0,0), which is the point at the center of the gas impingement on the surface. The second term on the right is due to vertical acceleration, which may be positive or negative. The last term on the right is the gravity term, which for a particle with velocities less than escape velocity will eventually bring the particle back to the ground. The parameters b, s(sub 0), and in some cases v(sub 0), are taken from an interpolation of similar parameters determined from a CFD simulation matrix, coupled with complete particle trajectory simulations.

Lane, J. E.↗

Experimental investigation of flow through an asymmetric plane diffuser

There is a need for experimental measurements in complex turbulent flows that originate from very well-defined initial conditions. Testing of large-eddy simulations and other higher-order computation schemes requires inlet boundary condition data that are not normally measured. The use of fully developed upstream conditions offers a solution to this dilemma so that the upstream conditions can be adequately computed at any level of sophistication. The plane diffuser experiment by Obi et al. (1993) has received a lot of attention because it has fully-developed inlet conditions and it includes separation from a smooth wall, subsequent reattachment and redevelopment of the downstream boundary layer. The objective of this study is to provide careful qualification and detailed measurements in a recreation of the Obi experiment. The work will include extensive documentation of the flow two-dimensionality and detailed measurements required for testing of flow computations.

Buice, Carl U.↗

Developing a 300C Analog Tool for EGS

This paper covers the development of a 300°C geothermal well monitoring tool for supporting future EGS (enhanced geothermal systems) power production. This is the first of 3 tools planed. This is an analog tool designed for monitoring well pressure and temperature. There is discussion on 3 different circuit topologies and the development of the supporting surface electronics and software. There is information on testing electronic circuits and component. One of the major components is the cable used to connect the analog tool to the surface.

15 GEOTHERMAL ENERGY↗

Crystallization Mechanism and Charge Carrier Transport in MAPLE-Deposited Conjugated Polymer Thin Films

Although spin casting and chemical surface reactions are the most common methods used for fabricating functional polymer films onto substrates, they are limited with regard to producing films of certain morphological characteristics on different wetting and nonwetting substrates. The matrix-assisted pulsed laser evaporation (MAPLE) technique offers advantages with regard to producing films of different morphologies on different types of substrates. Here, we provide a quantitative characterization, using X-ray diffraction and optical methods, to elucidate the additive growth mechanism of MAPLE-deposited poly(3-hexylthiophene) (P3HT) films on substrates that have undergone different surface treatments, enabling them to possess different wettabilities. We show that MAPLE-deposited films are composed of crystalline phases, wherein the overall P3HT aggregate size and crystallite coherence length increase with deposition time. A complete pole figure constructed from X-ray diffraction measurements reveals that in these MAPLE-deposited films, there exist two distinct crystallite populations: (i) highly oriented crystals that grow from the flat dielectric substrate and (ii) misoriented crystals that preferentially grow on top of the existing polymer layers. The growth of the highly oriented crystals is highly sensitive to the chemistry of the substrate, whereas the effect of substrate chemistry on misoriented crystal growth is weaker. The use of a self-assembled monolayer to treat the substrate greatly enhances the population and crystallite coherence length at the buried interfaces, particularly during the early stage of deposition. Furthermore, the evolution of the in-plane carrier mobilities during the course of deposition is consistent with the development of highly oriented crystals at the buried interface, suggesting that this interface plays a key role toward determining carrier transport in organic thin-film transistors.

36 MATERIALS SCIENCE↗

Ab initio electronic density in solids by many-body plane-wave auxiliary-field quantum Monte Carlo calculations

We present accurate many-body results of the electronic densities in several solid materials, including Si, NaCl, and Cu. These results are obtained using the ab initio auxiliary-field quantum Monte Carlo (AFQMC) method working in a plane-wave basis with norm-conserving, multiple-projector pseudopotentials. AFQMC has been shown to be an excellent many-body total energy method. Computation of observables and correlation functions other than the ground-state energy requires back-propagation, whose adaption and implementation in the plane-wave basis AFQMC framework are discussed in the present paper. This development allows us to compute correlation functions, electronic densities, and interatomic forces, paving the way for geometry optimizations and calculations of thermodynamic properties in solids. Finite supercell size effects are considerably more subtle in the many-body framework than in independent-electron calculations. We analyze the convergence of the electronic density, and obtain best estimates for the thermodynamic limit. The densities from several typical density functionals are benchmarked against our near-exact results. The electronic densities we obtained can also be used to help construct improved density functionals.

36 MATERIALS SCIENCE↗

SU-F-T-229: A Novel Method for EPID-Based In-Vivo Exit Dose Verification for Intensity Modulated Radiotherapy

Purpose: Electronic portal imaging device (EPID) can be used to acquire a two-dimensional exit dose distribution during treatment delivery, thus allowing the in-vivo verification of the dose delivery through a comparison of measured portal images to predicted portal dose images (PDI). The aim of this study was to present a novel method to easily and accurately predict PDI, and to establish an EPID-based in-vivo dose verification method during IMRT treatments. Methods: We developed a model to determine the predicted portal dose at the same plane of the EPID detector location. The Varian EPID (aS1000) positions at 150cm source-to-detector-distance (SDD), and can be used to acquire in-vivo exit dose using Portal Dosimetry (PD) function. Our model was generated to make an equivalent water thickness represent the buildup plate of EPID. The exit dose at extend SDD plane with patient CT data in the beam can be calculated as the predicted PDI in the treatment planning system (TPS). After that, the PDI was converted to the fluence at SDD of 150cm using the inverse square law coded in MATLAB. Five head-and-neck and prostate IMRT patient plans contain 32 fields were investigated to evaluate the feasibility of this new method. The measured EPID image was compared with PDI using the gamma analysis. Results: The average results for cumulative dose comparison were 81.9% and 91.6% for 3%, 3mm and 4%, 4mm gamma criteria, respectively. Results indicate that the patient transit dosimetry predicted algorithm compares well with EPID measured PD doses for test situations. Conclusion: Our new method can be used as an easy and feasible tool for online EPID-based in-vivo dose delivery verification for IMRT treatments. It can be implemented for fast detecting those obvious treatment delivery errors for individual field and patient quality assurance.

60 APPLIED LIFE SCIENCES↗

Study of the grazing-incidence X-ray scattering of strongly disturbed fractal surfaces

The applicability of different approaches to the description of hard X-ray scattering from rough surfaces is generally limited by a maximum surface roughness height of no more than 1 nm. Meanwhile, this value is several times larger for the surfaces of different materials subjected to treatment, especially in the initial treatment stages. To control the roughness parameters in all stages of surface treatment, a new approach has been developed, which is based on a series expansion of wavefield over the plane eigenstate-function waves describing the small-angle scattering of incident X-rays in terms of plane q-waves propagating through the interface between two media with a random function of relief heights. To determine the amplitudes of reflected and transmitted plane q-waves, a system of two linked integral equations was derived. The solutions to these equations correspond (in zero order) to the well-known Fresnel expressions for a smooth plane interface. Based on these solutions, a statistical fractal model of an isotropic rough interface is built in terms of root-mean-square roughness σ, two-point correlation length l, and fractal surface index h. The model is used to interpret X-ray scattering data for polished surfaces of single-crystal cadmium telluride samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Proton Conduction and Oxygen Diffusion in Ultra-Thin Nafion Films in PEM Fuel Cell: How Thin?

The success of PEM fuel cells lies in the design of the cathode where C-supported Pt catalyst is covered by a thin layer of ionomer, allowing easy access of oxygen and protons. The high current densities (1-2 A/cm 2 ) are achieved by the optimization of the thickness of the ionomer between two opposing trends: thinner ionomer allows high oxygen through-plane diffusion, while the in-plane conduction of the protons requires reasonable thickness. Anisotropy is likely to develop in such thin films. The purpose of this work was to investigate the effect of a thinner ionomer layer on the diffusion and conductivity and to establish how thin the ionomer layer can be. Oxygen permeability (DH) and proton conductivity in ultra-thin Nafion films (100-1000nm) were respectively characterized on SiO 2 substrate via limiting current measurement and electrochemical impedance spectroscopy for a range of temperature and relative humidity conditions. The transport behavior of these films is comparable to the electrode membrane layer of PEM fuel cells. Values of oxygen permeability were shown to increase with decreasing film thickness. The oxygen diffusion through the gas boundary layer becomes significant only at ultra-thin film thickness. The proton conductivity decreases with decreasing thickness and was disproportional to bulk Nafion behavior. Post-test SEM imaging shows buckling of the thin layer on the silicon wafer between the Pt sites, partially explaining the opposing trends in diffusivity and conductivity as film thickness decreases. Anisotropy exists as the thickness becomes comparable to the size of the aqueous regions of the Nafion ionomer. Measurements of thinner layers (<100nm) were experimentally limited, yet the trends indicate that the thinness of the ionomer in the cathode is limited by its ability to allow proton conductance.

25 ENERGY STORAGE↗

Low loss fiber-coupled volumetric interconnects fabricated via direct laser writing

Photonic integrated circuits (PICs) are vital for high-speed data transmission. However, optical routing is limited in PICs composed of only one or a few stacked planes. Further, coupling losses must be low in deployed systems. Previously, we developed the subsurface controllable refractive index via beam exposure (SCRIBE) technique to write accurate 3D gradient refractive index (GRIN) profiles within a mesoporous silica scaffold. Here, we apply SCRIBE to fabricate low loss, broadband, polarization insensitive, fiber-coupled, single-mode volumetric interconnects that include waveguides traversing arbitrary 3D paths. By seamlessly integrating mode-matching subsurface lenses and GRIN waveguide tapers, calibrating for positional writing errors, implementing multipass exposure, automating alignment, and switching to antireflection coated fibers, we reduced the insertion loss for a fiber-PIC-fiber interconnect from 50 to 2.14 dB, or 1.47 dB, excluding the fiber array’s loss. Further, we establish an upper bound of 0.45 dB loss per coupler. We report quality factors of 27,000 and 77,000 and bending losses of 6 and 3 dB/cm for 15 and 30 µm radii microrings, respectively. We also demonstrate Bézier escalators, polarization-rotating and polarization-splitting interconnects, and a seven-channel 25 µm pitch volumetric interconnect. The SCRIBE platform presents a clear path toward realizing 3D PICs with unique functionality.

Optics↗