Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array

DOE PAGES

Lyubimov, Artem Y.; Murray, Thomas D.; Koehl, Antoine; ...

2015-03-27

X-ray free-electron lasers (XFELs) promise to enable the collection of interpretable diffraction data from samples that are refractory to data collection at synchrotron sources. At present, however, more efficient sample-delivery methods that minimize the consumption of microcrystalline material are needed to allow the application of XFEL sources to a wide range of challenging structural targets of biological importance. Here, a microfluidic chip is presented in which microcrystals can be captured at fixed, addressable points in a trap array from a small volume (<10 µl) of a pre-existing slurry grown off-chip. The device can be mounted on a standard goniostat formore » conducting diffraction experiments at room temperature without the need for flash-cooling. Proof-of-principle tests with a model system (hen egg-white lysozyme) demonstrated the high efficiency of the microfluidic approach for crystal harvesting, permitting the collection of sufficient data from only 265 single-crystal still images to permit determination and refinement of the structure of the protein. This work shows that microfluidic capture devices can be readily used to facilitate data collection from protein microcrystals grown in traditional laboratory formats, enabling analysis when cryopreservation is problematic or when only small numbers of crystals are available. Such microfluidic capture devices may also be useful for data collection at synchrotron sources.« less

Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array

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

Lyubimov, Artem Y.; Murray, Thomas D.; Koehl, Antoine

X-ray free-electron lasers (XFELs) promise to enable the collection of interpretable diffraction data from samples that are refractory to data collection at synchrotron sources. At present, however, more efficient sample-delivery methods that minimize the consumption of microcrystalline material are needed to allow the application of XFEL sources to a wide range of challenging structural targets of biological importance. Here, a microfluidic chip is presented in which microcrystals can be captured at fixed, addressable points in a trap array from a small volume (<10 µl) of a pre-existing slurry grown off-chip. The device can be mounted on a standard goniostat formore » conducting diffraction experiments at room temperature without the need for flash-cooling. Proof-of-principle tests with a model system (hen egg-white lysozyme) demonstrated the high efficiency of the microfluidic approach for crystal harvesting, permitting the collection of sufficient data from only 265 single-crystal still images to permit determination and refinement of the structure of the protein. This work shows that microfluidic capture devices can be readily used to facilitate data collection from protein microcrystals grown in traditional laboratory formats, enabling analysis when cryopreservation is problematic or when only small numbers of crystals are available. Such microfluidic capture devices may also be useful for data collection at synchrotron sources.« less

Phase-field crystal modeling of compositional domain formation in ultrathin films.

PubMed

Muralidharan, Srevatsan; Haataja, Mikko

2010-09-17

Bulk-immiscible binary systems often form stress-induced miscible alloy phases when deposited on a substrate. Both alloying and surface dislocation formation lead to the decrease of the elastic strain energy, and the competition between these two strain-relaxation mechanisms gives rise to the emergence of pseudomorphic compositional nanoscale domains, often coexisting with a partially coherent single phase. In this work, we develop a phase-field crystal model for compositional patterning in monolayer aggregates of binary metallic systems. We first demonstrate that the model naturally incorporates the competition between alloying and misfit dislocations, and quantify the effects of misfit and line tension on equilibrium domain size. Then, we quantitatively relate the parameters of the phase-field crystal model to a specific system, CoAg/Ru(0001), and demonstrate that the simulations capture experimentally observed morphologies.

Crystal-Phase Quantum Wires: One-Dimensional Heterostructures with Atomically Flat Interfaces.

PubMed

Corfdir, Pierre; Li, Hong; Marquardt, Oliver; Gao, Guanhui; Molas, Maciej R; Zettler, Johannes K; van Treeck, David; Flissikowski, Timur; Potemski, Marek; Draxl, Claudia; Trampert, Achim; Fernández-Garrido, Sergio; Grahn, Holger T; Brandt, Oliver

2018-01-10

In semiconductor quantum-wire heterostructures, interface roughness leads to exciton localization and to a radiative decay rate much smaller than that expected for structures with flat interfaces. Here, we uncover the electronic and optical properties of the one-dimensional extended defects that form at the intersection between stacking faults and inversion domain boundaries in GaN nanowires. We show that they act as crystal-phase quantum wires, a novel one-dimensional quantum system with atomically flat interfaces. These quantum wires efficiently capture excitons whose radiative decay gives rise to an optical doublet at 3.36 eV at 4.2 K. The binding energy of excitons confined in crystal-phase quantum wires is measured to be more than twice larger than that of the bulk. As a result of their unprecedented interface quality, these crystal-phase quantum wires constitute a model system for the study of one-dimensional excitons.

Crystals and Crystals: On the Mythology of Magmatic Processes

NASA Astrophysics Data System (ADS)

Marsh, B.

2008-12-01

The intimate records of the deep functioning of magmatic systems reside in the temporal and spatial records of magma flux, composition and crystal load. The records for a single system are piecemeal: Plutons show good spatial records, but poor temporal records. Volcanoes give through lava sequences good temporal records, but no spatial context. Because of this dichotomy, two, almost mutually exclusive, branches of magmatology have developed, whereas in Nature there is only a single process. The processes envisioned in these schools necessary to deliver the end rock record are distinct. It is our tools and historic perspectives that have steered the science, not the subject itself. Due to this approach an almost mythical conception of how magmas function has become commonplace. The circumvention of this dilemma rests in carefully evaluating the records on hand in the light of a broad understanding of the fundamental mechanics of how magma lives and dies. It is these basic principles that promise to unify plutonic and volcanic evidence to reveal the full nature of magmatism on all scales. The two most basic features of all magmatic processes are the universal presence of solidification fronts and the presence or absence of a crystal cargo. Almost without exception (e.g., shallow pressure quenching) all first generation crystals grow in marginal solidification fronts (SFs) bordering all magmas. The package of isotherms bounded by the liquidus and solidus define SFs, which propagate in response to the rate of cooling. All physical and chemical processes occurring within SFs compete with the advancement or retreat of solidification. SFs are governed by crystallinity regimes: Suspension Zone (<25 % xtals), Capture Front (~25 %), Mush Zone (25-55%), Rigidity Front (~55%; Critical Crystallinity), and Rigid Crust Zone (>55% xtals). Magmas are laced with nuclei that multiply and grow when overtaken. Crystal growth rates are bounded; tiny crystals reside at the front of SFs and big crystals at the rear. It is unlikely that crystals can ever escape SFs once beyond the Capture Front, and crystals that do fall (singly or in plumes) from the leading edge of SFs may suffer resorbtion upon transit through deeper, hotter magma. Above all, differentiation is severely limited as there is no crystallization in the central, hottest part of the body, and the crystals that are available for separation are tiny and have little effect on melt composition. Recall, ~50% loss of olivine enhances silica by 5%, but this places this magma at Critical Crystallinity. Phenocrysts come from disrupted SFs and are essential to read as such; they may come from a wide range of P's and T's. Ragged old crystals rolling about for untold numbers of flushing times record specious process times; telling more about transport and crystal-chemical noise in the system than the life of typical, first generation crystallization processes. Yet, noise is a system characteristic as is exemplified by the disharmonious isotope heritage of neighbor phenocrysts. Differentiation mainly comes from the sudden loss of a dynamically entrained load of crystals of diverse heritage equilibrating with the 'carrier' magma. Big crystals carrying fluid inclusions, for example, come from deep within SFs where residual melt is low and enriched and not from the central, early, primitive magma. All systems show these characteristics. They are exceedingly important to recognize and to put in the context of the power, longevity, and geometry of the system. Not recognizing them for what they are and what they are not recording only builds mythological magmatic systems.

Crystal surface analysis using matrix textural features classified by a probabilistic neural network

NASA Astrophysics Data System (ADS)

Sawyer, Curry R.; Quach, Viet; Nason, Donald; van den Berg, Lodewijk

1991-12-01

A system is under development in which surface quality of a growing bulk mercuric iodide crystal is monitored by video camera at regular intervals for early detection of growth irregularities. Mercuric iodide single crystals are employed in radiation detectors. A microcomputer system is used for image capture and processing. The digitized image is divided into multiple overlapping sub-images and features are extracted from each sub-image based on statistical measures of the gray tone distribution, according to the method of Haralick. Twenty parameters are derived from each sub-image and presented to a probabilistic neural network (PNN) for classification. This number of parameters was found to be optimal for the system. The PNN is a hierarchical, feed-forward network that can be rapidly reconfigured as additional training data become available. Training data is gathered by reviewing digital images of many crystals during their growth cycle and compiling two sets of images, those with and without irregularities.

A new hue capturing technique for the quantitative interpretation of liquid crystal images used in convective heat transfer studies

NASA Technical Reports Server (NTRS)

Camci, C.; Kim, K.; Hippensteele, S. A.

1992-01-01

A new image processing based color capturing technique for the quantitative interpretation of liquid crystal images used in convective heat transfer studies is presented. This method is highly applicable to the surfaces exposed to convective heating in gas turbine engines. It is shown that, in the single-crystal mode, many of the colors appearing on the heat transfer surface correlate strongly with the local temperature. A very accurate quantitative approach using an experimentally determined linear hue vs temperature relation is found to be possible. The new hue-capturing process is discussed in terms of the strength of the light source illuminating the heat transfer surface, the effect of the orientation of the illuminating source with respect to the surface, crystal layer uniformity, and the repeatability of the process. The present method is more advantageous than the multiple filter method because of its ability to generate many isotherms simultaneously from a single-crystal image at a high resolution in a very time-efficient manner.

CO 2 Capture from Ambient Air by Crystallization with a Guanidine Sorbent

DOE PAGES

Seipp, Charles A.; Univ. of Texas, Austin, TX; Williams, Neil J.; ...

2016-12-21

Carbon capture and storage is an important strategy for stabilizing the increasing concentration of atmospheric CO 2 and the global temperature. A possible approach toward reversing this trend and decreasing the atmospheric CO 2 concentration is to remove the CO 2 directly from air (direct air capture). In this paper, we report a simple aqueous guanidine sorbent that captures CO 2 from ambient air and binds it as a crystalline carbonate salt by guanidinium hydrogen bonding. The resulting solid has very low aqueous solubility (K sp=1.0(4)×10 -8), which facilitates its separation from solution by filtration. The bound CO 2 canmore » be released by relatively mild heating of the crystals at 80–120 °C, which regenerates the guanidine sorbent quantitatively. Finally and thus, this crystallization-based approach to CO 2 separation from air requires minimal energy and chemical input, and offers the prospect for low-cost direct air capture technologies.« less

Adsorption of ions onto nanosolids dispersed in liquid crystals: Towards understanding the ion trapping effect in nanocolloids

NASA Astrophysics Data System (ADS)

Garbovskiy, Yuriy

2016-05-01

The ion capturing effect in liquid crystal nanocolloids was quantified by means of the ion trapping coefficient. The dependence of the ion trapping coefficient on the concentration of nano-dopants and their ionic purity was calculated for a variety of nanosolids dispersed in liquid crystals: carbon nanotubes, graphene nano-flakes, diamond nanoparticles, anatase nanoparticles, and ferroelectric nanoparticles. The proposed method perfectly fits existing experimental data and can be useful in the design of highly efficient ion capturing nanomaterials.

Investigation on the growth and characterization of 4-aminobenzophenone single crystal by the vertical dynamic gradient freeze technique

NASA Astrophysics Data System (ADS)

Prabhakaran, SP.; Ramesh Babu, R.; Sukumar, M.; Bhagavannarayana, G.; Ramamurthi, K.

2014-03-01

Growth of bulk single crystal of 4-Aminobenzophenone (4-ABP) from the vertical dynamic gradient freeze (VDGF) setup designed with eight zone furnace was investigated. The experimental parameters for the growth of 4-ABP single crystal with respect to the design of VDGF setup are discussed. The eight zones were used to generate multiple temperature gradients over the furnace, and video imaging system helped to capture the real time growth and solid-liquid interface. 4-ABP single crystal with the size of 18 mm diameter and 40 mm length was grown from this investigation. Structural and optical quality of grown crystal was examined by high resolution X-ray diffraction and UV-visible spectral analysis, respectively and the blue emission was also confirmed from the photoluminescence spectrum. Microhardness number of the crystal was estimated at different loads using Vicker's microhardness tester. The size and quality of single crystal grown from the present investigation are compared with the vertical Bridgman grown 4-ABP.

Real-time capture and reconstruction system with multiple GPUs for a 3D live scene by a generation from 4K IP images to 8K holograms.

PubMed

Ichihashi, Yasuyuki; Oi, Ryutaro; Senoh, Takanori; Yamamoto, Kenji; Kurita, Taiichiro

2012-09-10

We developed a real-time capture and reconstruction system for three-dimensional (3D) live scenes. In previous research, we used integral photography (IP) to capture 3D images and then generated holograms from the IP images to implement a real-time reconstruction system. In this paper, we use a 4K (3,840 × 2,160) camera to capture IP images and 8K (7,680 × 4,320) liquid crystal display (LCD) panels for the reconstruction of holograms. We investigate two methods for enlarging the 4K images that were captured by integral photography to 8K images. One of the methods increases the number of pixels of each elemental image. The other increases the number of elemental images. In addition, we developed a personal computer (PC) cluster system with graphics processing units (GPUs) for the enlargement of IP images and the generation of holograms from the IP images using fast Fourier transform (FFT). We used the Compute Unified Device Architecture (CUDA) as the development environment for the GPUs. The Fast Fourier transform is performed using the CUFFT (CUDA FFT) library. As a result, we developed an integrated system for performing all processing from the capture to the reconstruction of 3D images by using these components and successfully used this system to reconstruct a 3D live scene at 12 frames per second.

Homogenous Nucleation and Crystal Growth in a Model Liquid from Direct Energy Landscape Sampling Simulation

NASA Astrophysics Data System (ADS)

Walter, Nathan; Zhang, Yang

Nucleation and crystal growth are understood to be activated processes involving the crossing of free-energy barriers. Attempts to capture the entire crystallization process over long timescales with molecular dynamic simulations have met major obstacles because of molecular dynamics' temporal constraints. Herein, we circumvent this temporal limitation by using a brutal-force, metadynamics-like, adaptive basin-climbing algorithm and directly sample the free-energy landscape of a model liquid Argon. The algorithm biases the system to evolve from an amorphous liquid like structure towards an FCC crystal through inherent structure, and then traces back the energy barriers. Consequently, the sampled timescale is macroscopically long. We observe that the formation of a crystal involves two processes, each with a unique temperature-dependent energy barrier. One barrier corresponds to the crystal nucleus formation; the other barrier corresponds to the crystal growth. We find the two processes dominate in different temperature regimes. Compared to other computation techniques, our method requires no assumptions about the shape or chemical potential of the critical crystal nucleus. The success of this method is encouraging for studying the crystallization of more complex

Imaging System For Measuring Macromolecule Crystal Growth Rates in Microgravity

NASA Technical Reports Server (NTRS)

Corder, Eric L.; Briscoe, Jeri

2004-01-01

In order to determine how macromolecule crystal quality improvement in microgravity is related to crystal growth characteristics, a team of scientists and engineers at NASA's Marshal Space Flight Center (MSFC) developed flight hardware capable of measuring the crystal growth rates of a population of crystals growing under the same conditions. As crystal growth rate is defined as the change or delta in a defined dimension or length (L) of crystal over time, the hardware was named Delta-L. Delta-L consists of three sub assemblies: a fluid unit including a temperature-controlled growth cell, an imaging unit, and a control unit (consisting of a Data Acquisition and Control Unit (DACU), and a thermal control unit). Delta-L will be used in connection with the Glovebox Integrated Microgravity Isolation Technology (g-LIMIT) inside the Microgravity Science Glovebox (MSG), onboard the International Space Station. This paper will describe the Delta-L imaging system. The Delta-L imaging system was designed to locate, resolve, and capture images of up to 10 individual crystals ranging in size from 10 to 500 microns with a point-to-point accuracy of +/- 2.0 microns within a quartz growth cell observation area of 20 mm x 10 mm x 1 mm. The optical imaging system is comprised of a video microscope camera mounted on computer controlled translation stages. The 3-axis translation stages and control units provide crewmembers the ability to search throughout the growth cell observation area for crystals forming in size of approximately 10 microns. Once the crewmember has selected ten crystals of interest, the growth of these crystals is tracked until the size reaches approximately 500 microns. In order to resolve these crystals an optical system with a magnification of 10X was designed. A black and white NTSC camera was utilized with a 20X microscope objective and a 0.5X custom designed relay lens with an inline light to meet the magnification requirement. The design allows a 500 pm crystal to be viewed in the vertical dimension on a standard NTSC monitor (4:3 aspect ratio). Images of the 10 crystals are collected periodically and stored in sets by the DACU.

Nanolipoprotein particles and related methods and systems for protein capture, solubilization, and/or purification

DOEpatents

Chromy, Brett A; Henderson, Paul; Hoeprich, Jr., Paul D

2014-12-09

Provided herein are methods and systems for assembling, solubilizing and/or purifying a membrane associated protein in a nanolipoprotein particle, which comprise a temperature transition cycle performed in presence of a detergent, wherein during the temperature transition cycle the nanolipoprotein components are brought to a temperature above and below the gel to liquid crystalling transition temperature of the membrane forming lipid of the nanolipoprotein particle.

Nanolipoprotein particles and related methods and systems for protein capture, solubilization, and/or purification

DOEpatents

Chromy, Brett A.; Henderson, Paul; Hoeprich, Jr, Paul D.

2016-10-04

Provided herein are methods and systems for assembling, solubilizing and/or purifying a membrane associated protein in a nanolipoprotein particle, which comprise a temperature transition cycle performed in presence of a detergent, wherein during the temperature transition cycle the nanolipoprotein components are brought to a temperature above and below the gel to liquid crystalling transition temperature of the membrane forming lipid of the nanolipoprotein particle.

Localized rejuvenation of a crystal mush recorded in zircon temporal and compositional variation at the Lassen Volcanic Center, northern California

USGS Publications Warehouse

Klemetti, Erik W.; Clynne, Michael A.

2014-01-01

Zircon ages and trace element compositions from recent silicic eruptions in the Lassen Volcanic Center (LVC) allow for an evaluation of the timing and conditions of rejuvenation (reheating and mobilization of crystals) within the LVC magmatic system. The LVC is the southernmost active Cascade volcano and, prior to the 1980 eruption of Mount St. Helens, was the site of the only eruption in the Cascade arc during the last century. The three most recent silicic eruptions from the LVC were very small to moderate-sized lava flows and domes of dacite (1915 and 27 ka eruptions of Lassen Peak) and rhyodacite (1.1 ka eruption of Chaos Crags). These eruptions produced mixed and mingled lavas that contain a diverse crystal cargo, including zircon. 238U-230Th model ages from interior and surface analyses of zircon reveal ages from ~17 ka to secular equilibrium (>350 ka), with most zircon crystallizing during a period between ~60–200 ka. These data support a model for localized rejuvenation of crystal mush beneath the LVC. This crystal mush evidently is the remnant of magmatism that ended ~190 ka. Most zircon are thought to have been captured from “cold storage” in the crystal mush (670–725°C, Hf >10,000 ppm, Eu/Eu* 0.25–0.4) locally remobilized by intrusion of mafic magma. A smaller population of zircon (>730°C, Hf <10,000 ppm, Eu/Eu* >0.4) grew in, and are captured from, rejuvenation zones. These data suggest the dominant method to produce eruptible melt within the LVC is small-scale, local rejuvenation of the crystal mush accompanied by magma mixing and mingling. Based on zircon stability, the time required to heat, erupt and then cool to background conditions is relatively short, lasting a maximum of 10 s–1000 s years. Rejuvenation events in the LVC are ephemeral and permit eruption within an otherwise waning and cooling magmatic body.

Localized rejuvenation of a crystal mush recorded in zircon temporal and compositional variation at the Lassen Volcanic Center, northern California.

PubMed

Klemetti, Erik W; Clynne, Michael A

2014-01-01

Zircon ages and trace element compositions from recent silicic eruptions in the Lassen Volcanic Center (LVC) allow for an evaluation of the timing and conditions of rejuvenation (reheating and mobilization of crystals) within the LVC magmatic system. The LVC is the southernmost active Cascade volcano and, prior to the 1980 eruption of Mount St. Helens, was the site of the only eruption in the Cascade arc during the last century. The three most recent silicic eruptions from the LVC were very small to moderate-sized lava flows and domes of dacite (1915 and 27 ka eruptions of Lassen Peak) and rhyodacite (1.1 ka eruption of Chaos Crags). These eruptions produced mixed and mingled lavas that contain a diverse crystal cargo, including zircon. 238U-230Th model ages from interior and surface analyses of zircon reveal ages from ∼17 ka to secular equilibrium (>350 ka), with most zircon crystallizing during a period between ∼60-200 ka. These data support a model for localized rejuvenation of crystal mush beneath the LVC. This crystal mush evidently is the remnant of magmatism that ended ∼190 ka. Most zircon are thought to have been captured from "cold storage" in the crystal mush (670-725°C, Hf >10,000 ppm, Eu/Eu* 0.25-0.4) locally remobilized by intrusion of mafic magma. A smaller population of zircon (>730°C, Hf <10,000 ppm, Eu/Eu* >0.4) grew in, and are captured from, rejuvenation zones. These data suggest the dominant method to produce eruptible melt within the LVC is small-scale, local rejuvenation of the crystal mush accompanied by magma mixing and mingling. Based on zircon stability, the time required to heat, erupt and then cool to background conditions is relatively short, lasting a maximum of 10 s-1000 s years. Rejuvenation events in the LVC are ephemeral and permit eruption within an otherwise waning and cooling magmatic body.

Carbonate-based zeolitic imidazolate framework for highly selective CO2 capture.

PubMed

Basnayake, Sajani A; Su, Jie; Zou, Xiadong; Balkus, Kenneth J

2015-02-16

In this study, we report the formation of a new crystal structure, ZIF-CO3-1, which results from the reaction of Zn(2+), 2-methylimidazole, and carbonate. ZIF-CO3-1 can be synthesized solvothermally in N,N-dimethylformamide (DMF)/water (H2O) or by utilizing of CO2 gas at various temperatures in DMF/H2O or H2O. This reaction selectively consumes CO2 because CO2 is incorporated in the ZIF as carbonate. CO2 can be quantitatively released by acidifying the ZIF. Powder X-ray diffraction, single-crystal X-ray diffraction, FTIR spectroscopy, scanning electron microscopy, elemental analysis, and thermogravimetric analysis were used to characterize the ZIF structure. ZIF-CO3-1 (chemical formula C9H10N4O3Zn2), crystallizes in the orthorhombic crystal system with noncentrosymmetric space group Pba2.

Oxygen in GaAs - Direct and indirect effects

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Skowronski, M.; Pawlowicz, L.; Lagowski, J.

1984-01-01

Oxygen has profound effects on the key electronic properties and point defects of GaAs crystals. Thus, when added in the growth system, it decreases the free electron concentration and enhances the concentration of deep donors in the resulting crystals. Both of these effects are highly beneficial for achieving semi-insulating material and have been utilized for that purpose. They have been attributed to the tendency of oxygen to getter silicon impurities during crystal growth. Only recently, it has been found that oxygen in GaAs introduces also a midgap level, ELO, with essentially the same activation energy as EL2 but with four times greater electron capture cross section. The present report reassesses the electrical and optical properties of the midgap levels in GaAs crystals grown by the horizontal Bridgman (HB) and the Czochralski-LEC techniques. Emphasis is placed on the identification of the specific effects of ELO.

Diffraction-limited real-time terahertz imaging by optical frequency up-conversion in a DAST crystal.

PubMed

Fan, Shuzhen; Qi, Feng; Notake, Takashi; Nawata, Kouji; Takida, Yuma; Matsukawa, Takeshi; Minamide, Hiroaki

2015-03-23

Real-time terahertz (THz) wave imaging has wide applications in areas such as security, industry, biology, medicine, pharmacy, and the arts. This report describes real-time room-temperature THz imaging by nonlinear optical frequency up-conversion in an organic 4-dimethylamino-N'-methyl-4'-stilbazolium tosylate (DAST) crystal, with high resolution reaching the diffraction limit. THz-wave images were converted to the near infrared region and then captured using an InGaAs camera in a tandem imaging system. The resolution of the imaging system was analyzed. Diffraction and interference of THz wave were observed in the experiments. Videos are supplied to show the interference pattern variation that occurs with sample moving and tilting.

Efficient modeling of photonic crystals with local Hermite polynomials

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

Boucher, C. R.; Li, Zehao; Albrecht, J. D.

2014-04-21

Developing compact algorithms for accurate electrodynamic calculations with minimal computational cost is an active area of research given the increasing complexity in the design of electromagnetic composite structures such as photonic crystals, metamaterials, optical interconnects, and on-chip routing. We show that electric and magnetic (EM) fields can be calculated using scalar Hermite interpolation polynomials as the numerical basis functions without having to invoke edge-based vector finite elements to suppress spurious solutions or to satisfy boundary conditions. This approach offers several fundamental advantages as evidenced through band structure solutions for periodic systems and through waveguide analysis. Compared with reciprocal space (planemore » wave expansion) methods for periodic systems, advantages are shown in computational costs, the ability to capture spatial complexity in the dielectric distributions, the demonstration of numerical convergence with scaling, and variational eigenfunctions free of numerical artifacts that arise from mixed-order real space basis sets or the inherent aberrations from transforming reciprocal space solutions of finite expansions. The photonic band structure of a simple crystal is used as a benchmark comparison and the ability to capture the effects of spatially complex dielectric distributions is treated using a complex pattern with highly irregular features that would stress spatial transform limits. This general method is applicable to a broad class of physical systems, e.g., to semiconducting lasers which require simultaneous modeling of transitions in quantum wells or dots together with EM cavity calculations, to modeling plasmonic structures in the presence of EM field emissions, and to on-chip propagation within monolithic integrated circuits.« less

Investigating Deformation and Mesoscale Void Creation in HMX Based Composites using Tomography Based Grain Scale Finite Element Modeling

NASA Astrophysics Data System (ADS)

Walters, David J.; Luscher, Darby J.; Manner, Virginia; Yeager, John D.; Patterson, Brian M.

2017-06-01

The microstructure of plastic bonded explosives (PBXs) significantly affects their macroscale mechanical characteristics. Imaging and modeling of the mesoscale constituents allows for a detailed examination of the deformation of mechanically loaded PBXs. In this study, explosive composites, formulated with HMX crystals and various HTPB based polymer binders have been imaged using micro Computed Tomography (μCT). Cohesive parameters for simulation of the crystal/binder interface are determined by comparing numerical and experimental results of the delamination of a polymer bound bi-crystal system. Similarly, polycrystalline samples are discretized into a finite element mesh using the mesoscale geometry captured by in-situ μCT imaging. Experimentally, increasing the stiffness of the HTPB binder in the polycrystalline system resulted in a transition from ductile flow with little crystal/binder delamination to brittle behavior with increased void creation along the interfaces. Simulating the macroscale compression of these samples demonstrates the effects that the mesoscale geometry, cohesive properties, and binder stiffness have on the creation and distribution of interfacial voids. Understanding void nucleation is critical for modeling damage in these complex materials.

Pauli structures arising from confined particles interacting via a statistical potential

NASA Astrophysics Data System (ADS)

Batle, Josep; Ciftja, Orion; Farouk, Ahmed; Alkhambashi, Majid; Abdalla, Soliman

2017-09-01

There have been suggestions that the Pauli exclusion principle alone can lead a non-interacting (free) system of identical fermions to form crystalline structures dubbed Pauli crystals. Single-shot imaging experiments for the case of ultra-cold systems of free spin-polarized fermionic atoms in a two-dimensional harmonic trap appear to show geometric arrangements that cannot be characterized as Wigner crystals. This work explores this idea and considers a well-known approach that enables one to treat a quantum system of free fermions as a system of classical particles interacting with a statistical interaction potential. The model under consideration, though classical in nature, incorporates the quantum statistics by endowing the classical particles with an effective interaction potential. The reasonable expectation is that possible Pauli crystal features seen in experiments may manifest in this model that captures the correct quantum statistics as a first order correction. We use the Monte Carlo simulated annealing method to obtain the most stable configurations of finite two-dimensional systems of confined particles that interact with an appropriate statistical repulsion potential. We consider both an isotropic harmonic and a hard-wall confinement potential. Despite minor differences, the most stable configurations observed in our model correspond to the reported Pauli crystals in single-shot imaging experiments of free spin-polarized fermions in a harmonic trap. The crystalline configurations observed appear to be different from the expected classical Wigner crystal structures that would emerge should the confined classical particles had interacted with a pair-wise Coulomb repulsion.

Dynamic colloidal assembly pathways via low dimensional models

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

Yang, Yuguang; Bevan, Michael A., E-mail: mabevan@jhu.edu; Thyagarajan, Raghuram

2016-05-28

Here we construct a low-dimensional Smoluchowski model for electric field mediated colloidal crystallization using Brownian dynamic simulations, which were previously matched to experiments. Diffusion mapping is used to infer dimensionality and confirm the use of two order parameters, one for degree of condensation and one for global crystallinity. Free energy and diffusivity landscapes are obtained as the coefficients of a low-dimensional Smoluchowski equation to capture the thermodynamics and kinetics of microstructure evolution. The resulting low-dimensional model quantitatively captures the dynamics of different assembly pathways between fluid, polycrystal, and single crystals states, in agreement with the full N-dimensional data as characterizedmore » by first passage time distributions. Numerical solution of the low-dimensional Smoluchowski equation reveals statistical properties of the dynamic evolution of states vs. applied field amplitude and system size. The low-dimensional Smoluchowski equation and associated landscapes calculated here can serve as models for predictive control of electric field mediated assembly of colloidal ensembles into two-dimensional crystalline objects.« less

Theory and modelling of light-matter interactions in photonic crystal cavity systems coupled to quantum dot ensembles

NASA Astrophysics Data System (ADS)

Cartar, William K.

Photonic crystal microcavity quantum dot lasers show promise as high quality-factor, low threshold lasers, that can be integrated on-chip, with tunable room temperature opera- tions. However, such semiconductor microcavity lasers are notoriously difficult to model in a self-consistent way and are primarily modelled by simplified rate equation approxima- tions, typically fit to experimental data, which limits investigations of their optimization and fundamental light-matter interaction processes. Moreover, simple cavity mode optical theory and rate equations have recently been shown to fail in explaining lasing threshold trends in triangular lattice photonic crystal cavities as a function of cavity size, and the potential impact of fabrication disorder is not well understood. In this thesis, we develop a simple but powerful numerical scheme for modelling the quantum dot active layer used for lasing in these photonic crystal cavity structures, as an ensemble of randomly posi- tioned artificial two-level atoms. Each two-level atom is defined by optical Bloch equations solved by a quantum master equation that includes phenomenological pure dephasing and an incoherent pump rate that effectively models a multi-level gain system. Light-matter in- teractions of both passive and lasing structures are analyzed using simulation defined tools and post-simulation Green function techniques. We implement an active layer ensemble of up to 24,000 statistically unique quantum dots in photonic crystal cavity simulations, using a self-consistent finite-difference time-domain method. This method has the distinct advantage of capturing effects such as dipole-dipole coupling and radiative decay, without the need for any phenomenological terms, since the time-domain solution self-consistently captures these effects. Our analysis demonstrates a powerful ability to connect with recent experimental trends, while remaining completely general in its set-up; for example, we do not invoke common approximations such as the rotating-wave or slowly-varying envelope approximations, and solve dynamics with zero a priori knowledge.

Isomorphic Properties of Atoms, Molecules, Water, DNA, Crystals, Earth, SolarSystem and Galaxies

NASA Astrophysics Data System (ADS)

Gareev, F. A.; Gareeva, G. F.; Zhidkova, I. E.

2009-03-01

We discuss the cooperative resonance synchronization enhancement mechanisms of Low Energy Nuclear Reactions (LENR). Some of the low energy external fields can be used as triggers for starting and enhancing exothermic LENR. Any external field shortening distances between protons in nuclei and electrons in atoms should enhance beta-decay (capture) or double-beta decay (capture). We have proposed a new mechanism of LENR: cooperative resonance synchronization processes in the whole system nuclei+atoms+condensed matter+gaseuos+plasma medium, which we suggest can occur at a smaller threshold than the corresponding ones on free constituents. The cooperative processes can be induced and enhanced by low energy external fields. The excess heat is the emission of internal energy, and transmutations at LENR are the result of redistribution inner energy of the whole system.

Autonomous characterization of plastic-bonded explosives

NASA Astrophysics Data System (ADS)

Linder, Kim Dalton; DeRego, Paul; Gomez, Antonio; Baumgart, Chris

2006-08-01

Plastic-Bonded Explosives (PBXs) are a newer generation of explosive compositions developed at Los Alamos National Laboratory (LANL). Understanding the micromechanical behavior of these materials is critical. The size of the crystal particles and porosity within the PBX influences their shock sensitivity. Current methods to characterize the prominent structural characteristics include manual examination by scientists and attempts to use commercially available image processing packages. Both methods are time consuming and tedious. LANL personnel, recognizing this as a manually intensive process, have worked with the Kansas City Plant / Kirtland Operations to develop a system which utilizes image processing and pattern recognition techniques to characterize PBX material. System hardware consists of a CCD camera, zoom lens, two-dimensional, motorized stage, and coaxial, cross-polarized light. System integration of this hardware with the custom software is at the core of the machine vision system. Fundamental processing steps involve capturing images from the PBX specimen, and extraction of void, crystal, and binder regions. For crystal extraction, a Quadtree decomposition segmentation technique is employed. Benefits of this system include: (1) reduction of the overall characterization time; (2) a process which is quantifiable and repeatable; (3) utilization of personnel for intelligent review rather than manual processing; and (4) significantly enhanced characterization accuracy.

3D Micro-topography of Transferred Laboratory and Natural Ice Crystal Surfaces Imaged by Cryo and Environmental Scanning Electron Microscopy

NASA Astrophysics Data System (ADS)

Magee, N. B.; Boaggio, K.; Bancroft, L.; Bandamede, M.

2015-12-01

Recent work has highlighted micro-scale roughness on the surfaces of ice crystals grown and imaged in-situ within the chambers of environmental scanning electron microscopes (ESEM). These observations appear to align with theoretical and satellite observations that suggest a prevalence of rough ice in cirrus clouds. However, the atmospheric application of the lab observations are indeterminate because the observations have been based only on crystals grown on substrates and in pure-water vapor environments. In this work, we present details and results from the development of a transfer technique which allows natural and lab-grown ice and snow crystals to be captured, preserved, and transferred into the ESEM for 3D imaging. Ice crystals were gathered from 1) natural snow, 2) a balloon-borne cirrus particle capture device, and 3) lab-grown ice crystals from a diffusion chamber. Ice crystals were captured in a pre-conditioned small-volume (~1 cm3) cryo-containment cell. The cell was then sealed closed and transferred to a specially-designed cryogenic dewer (filled with liquid nitrogen or crushed dry ice) for transport to a new Hitachi Field Emission, Variable Pressure SEM (SU-5000). The cryo-cell was then removed from the dewer and quickly placed onto the pre-conditioned cryo transfer stage attached to the ESEM (Quorum 3010T). Quantitative 3D topographical digital elevation models of ice surfaces are reported from SEM for the first time, including a variety of objective measures of statistical surface roughness. The surfaces of the transported crystals clearly exhibit signatures of mesoscopic roughening that are similar to examples of roughness seen in ESEM-grown crystals. For most transported crystals, the habits and crystal edges are more intricate that those observed for ice grown directly on substrates within the ESEM chamber. Portions of some crystals do appear smooth even at magnification greater than 1000x, a rare observation in our ESEM-grown crystals. The transported crystals hint at some significant differences in roughness morphology, but they do provide evidence that crystals grown in air/water mixtures and with minimal substrate influence also exhibit mesoscopic roughness with similarity to that observed in ESEM-grown crystals.

Structure stability of HKUST-1 towards water and ethanol and their effect on its CO2 capture properties.

PubMed

Álvarez, J Raziel; Sánchez-González, Elí; Pérez, Eric; Schneider-Revueltas, Emilia; Martínez, Ana; Tejeda-Cruz, Adriana; Islas-Jácome, Alejandro; González-Zamora, Eduardo; Ibarra, Ilich A

2017-07-18

Water and ethanol stabilities of the crystal structure of the Cu-based metal-organic framework (MOF) HKUST-1 have been investigated. Vapour (water and ethanol) sorption isotherms and cyclability were measured by a dynamic strategy. The ethanol sorption capacity of HKUST-1 at 303 K remained unchanged contrasting water sorption (which decreased along with the sorption experiment time). Considering the binding energy of each sorbate with the open Cu(ii) sites, obtained by the use of diffusion coefficients, we showed the superior crystal stability of the HKUST-1 framework towards ethanol. Finally, a small quantity of ethanol (pre-adsorbed) slightly enhanced CO 2 capture without crystal structure degradation.

Coarse-Grained Molecular Monte Carlo Simulations of Liquid Crystal-Nanoparticle Mixtures

NASA Astrophysics Data System (ADS)

Neufeld, Ryan; Kimaev, Grigoriy; Fu, Fred; Abukhdeir, Nasser M.

Coarse-grained intermolecular potentials have proven capable of capturing essential details of interactions between complex molecules, while substantially reducing the number of degrees of freedom of the system under study. In the domain of liquid crystals, the Gay-Berne (GB) potential has been successfully used to model the behavior of rod-like and disk-like mesogens. However, only ellipsoid-like interaction potentials can be described with GB, making it a poor fit for many real-world mesogens. In this work, the results of Monte Carlo simulations of liquid crystal domains using the Zewdie-Corner (ZC) potential are presented. The ZC potential is constructed from an orthogonal series of basis functions, allowing for potentials of essentially arbitrary shapes to be modeled. We also present simulations of mixtures of liquid crystalline mesogens with nanoparticles. Experimentally these mixtures have been observed to exhibit microphase separation and formation of long-range networks under some conditions. This highlights the need for a coarse-grained approach which can capture salient details on the molecular scale while simulating sufficiently large domains to observe these phenomena. We compare the phase behavior of our simulations with that of a recently presented continuum theory. This work was made possible by the Natural Sciences and Engineering Research Council of Canada and Compute Ontario.

Crystal growth of LiIn 1–xGa xSe 2 crystals

DOE PAGES

Wiggins, Brenden; Bell, Joseph; Woodward, Jonathan; ...

2016-10-22

Lithium containing chalcogenide single crystals have become very promising materials for photonics and radiation detection. Detection applications include nuclear nonproliferation, neutron science, and stellar investigations for the search of life. Synthesis and single crystal growth methods for lithium containing chalcogenide, specifically LiIn 1-xGa xSe 2, single crystals are discussed. This study elucidates the possibility of improving neutron detection by reducing the indium capture contribution; with the incorporation of the lithium-6 isotope, gallium substitution may overcome the neutron detection efficiency limitation of 6LiInSe 2 due to appreciable neutron capture by the indium-115 isotope. As a figure of merit, the ternary parentmore » compounds 6LiInSe 2 and 6LiGaSe 2 were included in this study. Quality crystals can be obtained utilizing the vertical Bridgman method to produce quaternary compounds with tunable optical properties. Here, quaternary crystals of varying quality depending on the gallium concentration, approximately 5 x 5 x 2 mm 3 or larger in volume, were harvested, analyzed and revealed tunable absorption characteristics between 2.8-3.4 eV.« less

Method and algorithm for efficient calibration of compressive hyperspectral imaging system based on a liquid crystal retarder

NASA Astrophysics Data System (ADS)

Shecter, Liat; Oiknine, Yaniv; August, Isaac; Stern, Adrian

2017-09-01

Recently we presented a Compressive Sensing Miniature Ultra-spectral Imaging System (CS-MUSI)1 . This system consists of a single Liquid Crystal (LC) phase retarder as a spectral modulator and a gray scale sensor array to capture a multiplexed signal of the imaged scene. By designing the LC spectral modulator in compliance with the Compressive Sensing (CS) guidelines and applying appropriate algorithms we demonstrated reconstruction of spectral (hyper/ ultra) datacubes from an order of magnitude fewer samples than taken by conventional sensors. The LC modulator is designed to have an effective width of a few tens of micrometers, therefore it is prone to imperfections and spatial nonuniformity. In this work, we present the study of this nonuniformity and present a mathematical algorithm that allows the inference of the spectral transmission over the entire cell area from only a few calibration measurements.

A triple-crystal phoswich detector with digital pulse shape discrimination for alpha/beta/gamma spectroscopy

NASA Astrophysics Data System (ADS)

White, Travis L.; Miller, William H.

1999-02-01

Researchers at the University of Missouri - Columbia have developed a three-crystal phoswich detector coupled to a digital pulse shape discrimination system for use in alpha/beta/gamma spectroscopy. Phoswich detectors use a sandwich of scintillators viewed by a single photomultiplier tube to simultaneously detect multiple types of radiation. Separation of radiation types is based upon pulse shape difference among the phosphors, which has historically been performed with analog circuitry. The system uses a GaGe CompuScope 1012, 12 bit, 10 MHz computer-based oscilloscope that digitally captures the pulses from a phoswich detector and subsequently performs pulse shape discrimination with cross-correlation analysis. The detector, based partially on previous phoswich designs by Usuda et al., uses a 10 mg/cm 2 thick layer of ZnS(Ag) for alpha detection, followed by a 0.254 cm CaF 2(Eu) crystal for beta detection, all backed by a 2.54 cm NaI(Tl) crystal for gamma detection. Individual energy spectra and count rate information for all three radiation types are displayed and updated periodically. The system shows excellent charged particle discrimination with an accuracy of greater than 99%. Future development will include a large area beta probe with gamma-ray discrimination, systems for low-energy photon detection (e.g. Bremsstrahlung or keV-range photon emissions), and other health physics instrumentation.

Tuning the photon statistics of a strongly coupled nanophotonic system

NASA Astrophysics Data System (ADS)

Dory, Constantin; Fischer, Kevin A.; Müller, Kai; Lagoudakis, Konstantinos G.; Sarmiento, Tomas; Rundquist, Armand; Zhang, Jingyuan L.; Kelaita, Yousif; Sapra, Neil V.; Vučković, Jelena

2017-02-01

We investigate the dynamics of single- and multiphoton emission from detuned strongly coupled systems based on the quantum-dot-photonic-crystal resonator platform. Transmitting light through such systems can generate a range of nonclassical states of light with tunable photon counting statistics due to the nonlinear ladder of hybridized light-matter states. By controlling the detuning between emitter and resonator, the transmission can be tuned to strongly enhance either single- or two-photon emission processes. Despite the strongly dissipative nature of these systems, we find that by utilizing a self-homodyne interference technique combined with frequency filtering we are able to find a strong two-photon component of the emission in the multiphoton regime. In order to explain our correlation measurements, we propose rate equation models that capture the dominant processes of emission in both the single- and multiphoton regimes. These models are then supported by quantum-optical simulations that fully capture the frequency filtering of emission from our solid-state system.

Localized Rejuvenation of a Crystal Mush Recorded in Zircon Temporal and Compositional Variation at the Lassen Volcanic Center, Northern California

PubMed Central

Klemetti, Erik W.; Clynne, Michael A.

2014-01-01

Zircon ages and trace element compositions from recent silicic eruptions in the Lassen Volcanic Center (LVC) allow for an evaluation of the timing and conditions of rejuvenation (reheating and mobilization of crystals) within the LVC magmatic system. The LVC is the southernmost active Cascade volcano and, prior to the 1980 eruption of Mount St. Helens, was the site of the only eruption in the Cascade arc during the last century. The three most recent silicic eruptions from the LVC were very small to moderate-sized lava flows and domes of dacite (1915 and 27 ka eruptions of Lassen Peak) and rhyodacite (1.1 ka eruption of Chaos Crags). These eruptions produced mixed and mingled lavas that contain a diverse crystal cargo, including zircon. 238U-230Th model ages from interior and surface analyses of zircon reveal ages from ∼17 ka to secular equilibrium (>350 ka), with most zircon crystallizing during a period between ∼60–200 ka. These data support a model for localized rejuvenation of crystal mush beneath the LVC. This crystal mush evidently is the remnant of magmatism that ended ∼190 ka. Most zircon are thought to have been captured from “cold storage” in the crystal mush (670–725°C, Hf >10,000 ppm, Eu/Eu* 0.25–0.4) locally remobilized by intrusion of mafic magma. A smaller population of zircon (>730°C, Hf <10,000 ppm, Eu/Eu* >0.4) grew in, and are captured from, rejuvenation zones. These data suggest the dominant method to produce eruptible melt within the LVC is small-scale, local rejuvenation of the crystal mush accompanied by magma mixing and mingling. Based on zircon stability, the time required to heat, erupt and then cool to background conditions is relatively short, lasting a maximum of 10 s–1000 s years. Rejuvenation events in the LVC are ephemeral and permit eruption within an otherwise waning and cooling magmatic body. PMID:25470726

A real-time monitoring system for night glare protection

NASA Astrophysics Data System (ADS)

Ma, Jun; Ni, Xuxiang

2010-11-01

When capturing a dark scene with a high bright object, the monitoring camera will be saturated in some regions and the details will be lost in and near these saturated regions because of the glare vision. This work aims at developing a real-time night monitoring system. The system can decrease the influence of the glare vision and gain more details from the ordinary camera when exposing a high-contrast scene like a car with its headlight on during night. The system is made up of spatial light modulator (The liquid crystal on silicon: LCoS), image sensor (CCD), imaging lens and DSP. LCoS, a reflective liquid crystal, can modular the intensity of reflective light at every pixel as a digital device. Through modulation function of LCoS, CCD is exposed with sub-region. With the control of DSP, the light intensity is decreased to minimum in the glare regions, and the light intensity is negative feedback modulated based on PID theory in other regions. So that more details of the object will be imaging on CCD and the glare protection of monitoring system is achieved. In experiments, the feedback is controlled by the embedded system based on TI DM642. Experiments shows: this feedback modulation method not only reduces the glare vision to improve image quality, but also enhances the dynamic range of image. The high-quality and high dynamic range image is real-time captured at 30hz. The modulation depth of LCoS determines how strong the glare can be removed.

Defect interactions in anisotropic two-dimensional fluids

NASA Astrophysics Data System (ADS)

Stannarius, Ralf; Harth, Kirsten

Disclinations in liquid crystals bear striking analogies to defect structures in a wide variety of physical systems, they are excellent models to study fundamental properties of defect interactions. Freely suspended smectic C films behave like quasi 2D polar nematics. An experimental procedure is introduced to capture high-strength disclinations in localized spots. After they are released in a controlled way, the motion of the mutually repelling topological charges is studied. We demonstrate that the classical models, based on elastic one-constant approximation, fail to describe their dynamics correctly. In realistic liquid crystals, the models work only in ideal configurations. In general, additional director walls modify interactions substantially. Funded by DFG within project STA 425/28-1.

Molecular detection via hybrid peptide-semiconductor photonic devices

NASA Astrophysics Data System (ADS)

Estephan, E.; Saab, M.-b.; Martin, M.; Cloitre, T.; Larroque, C.; Cuisinier, F. J. G.; Malvezzi, A. M.; Gergely, C.

2011-03-01

The aim of this work was to investigate the possibilities to support device functionality that includes strongly confined and localized light emission and detection processes within nano/micro-structured semiconductors for biosensing applications. The interface between biological molecules and semiconductor surfaces, yet still under-explored is a key issue for improving biomolecular recognition in devices. We report on the use of adhesion peptides, elaborated via combinatorial phage-display libraries for controlled placement of biomolecules, leading to user-tailored hybrid photonic systems for molecular detection. An M13 bacteriophage library has been used to screen 1010 different peptides against various semiconductors to finally isolate specific peptides presenting a high binding capacity for the target surfaces. When used to functionalize porous silicon microcavities (PSiM) and GaAs/AlGaAs photonic crystals, we observe the formation of extremely thin (<1nm) peptide layers, hereby preserving the nanostructuration of the crystals. This is important to assure the photonic response of these tiny structures when they are functionalized by a biotinylated peptide layer and then used to capture streptavidin. Molecular detection was monitored via both linear and nonlinear optical measurements. Our linear reflectance spectra demonstrate an enhanced detection resolution via PSiM devices, when functionalized with the Si-specific peptide. Molecular capture at even lower concentrations (femtomols) is possible via the second harmonic generation of GaAs/AlGaAs photonic crystals when functionalized with GaAs-specific peptides. Our work demonstrates the outstanding value of adhesion peptides as interface linkers between semiconductors and biological molecules. They assure an enhanced molecular detection via both linear and nonlinear answers of photonic crystals.

Characteristics of Heavy Snowfall and Snow Crystal Habits in the ESSAY (Experiment on Snow Storms At Yeongdong) Campaign in Korea

NASA Astrophysics Data System (ADS)

Koh, D.

2016-12-01

The Yeongdong region in Korea has frequent heavy snowfall in winter, which usually results in societal and economic damages such as collapses of the greenhouse and the temporary building due to heavy snowfall weights and traffic accidents due to snow-slippery road condition. Therefore we have conducted an intensive measurement campaign of `Experiment on Snow Storms At Yeongdong (ESSAY)' using radiosonde soundings, several remote sensors and a digital camera with a magnifier for taking a photograph of snowfall crystals in the region. The analysis period is mainly limited to every winter from 2014 to 2016The typical synoptic situation for the heavy snowfall is Low pressure system passing by the far South of the Korean peninsula along with the Siberian High extending to northern Japan, leading to the northeasterly or easterly flows frequently accompanied by the long-lasting snowfall in the Yeongdong region. The snow crystal habits observed in the ESSAY campaign are mainly dendrite, consisting of about 70% of the entire habits, indicative of relatively warmer East Sea effect. Meanwhile, the rimed habits are frequently captured specifically when two-layered clouds are observed. The homogeneous habit such as dendrite is shown in case of shallow clouds with its thickness below 500 m, whereas various habits are captured such as graupel, dendrites, rimed dendrites, etc in the thicker cloud with its thickness greater than 1.5 km. The association of snow crystal habits with temperature and supersaturation in the cloud will be more discussed.

Measurements of striae in CR+ doped YAG laser crystals

NASA Astrophysics Data System (ADS)

Cady, Fredrick M.

1994-12-01

Striations in Czochralski (CZ) grown crystals have been observed in materials such as GaAs, silicon, photorefractive crystals used for data storage, potassium titanyl phosphate crystals and LiNbO3. Several techniques have been used for investigating these defects including electron microscopy, laser scanning tomography, selective photoetching, X-ray diffuse scattering, interference orthoscopy, laser interferometry and micro-Fourier transform infrared spectroscopy mapping. A 2mm thick sample of the material to be investigated is illuminated with light that is absorbed and non-absorbed by the ion concentration to be observed. The back surface of the sample is focused onto a solid-state image detector and images of the input beam and absorbed (and diffracted) beams are captured at two wavelengths. The variation of the coefficient of absorption asa function of distance on the sample can be derived from these measurements. A Big Sky Software Beamcode system is used to capture and display images. Software has been written to convert the Beamcode data files to a format that can be imported into a spreadsheet program such as Quatro Pro. The spreadsheet is then used to manipulate and display data. A model of the intensity map of the striae collected by the imaging system has been proposed and a data analysis procedure derived. From this, the variability of the attenuation coefficient alpha can be generated. Preliminary results show that alpha may vary by a factor of four or five over distances of 100 mu m. Potential errors and problems have been discovered and additional experiments and improvements to the experimental setup are in progress and we must now show that the measurement techniques and data analysis procedures provide 'real' information. Striae are clearly visible at all wavelengths including white light. Their basic spatial frequency does not change radically, at least when changing from blue to green to white light. Further experimental and theoretical work can be done to improve the data collection techniques and to verify the data analysis procedures.

Quartz Crystal Microbalance with Dissipation Monitoring

DTIC Science & Technology

2014-11-06

Hydroxyapatite , 10 nm, Sensors • Biotin Functionalized on Gold Sensors • His-tag Capturing Sensor QCM-D techniques provide answers about...UV/Ozone cleaner • Hydroxyapatite , 10 nm, Sensors • Biotin Functionalized on Gold Sensors • His-tag Capturing Sensor QCM-D techniques provide

Penetration of multiple thin films in micrometeorite capture cells

NASA Technical Reports Server (NTRS)

Simon, Charles G.

1994-01-01

As part of a continuing effort to develop cosmic dust detectors/collectors for use in space, we performed a series of hypervelocity impact experiments on combined sensor/capture-cell assemblies using 10-200-micron-diameter glass projectiles and olivine crystals at velocities of 0.9-14.4 km/s. The design objective of the space-flight instrument is to measure the trajectories of individual particles with sufficient accuracy to permit identification of their parent bodies and to capture enough impactor material to allow chemical and isotopic analyses of samples returned to Earth. Three different multiple-film small-particle capture cell designs (0.1-100-micron-thick Al foils with approx. 10, 100, and 1800 micron spacing) were evaluated for their ability to capture impactor fragments and residue. Their performances were compared to two other types of capture cells, foil covered Ge crystals, and 0.50 and 0.120 g/cu cm aerogels. All capture cells were tested behind multifilm (1.4-6.0-micron-thick) polyvinylidene fluoride (PVDF) velocity/trajectory sensor devices. Several tests were also done without the PVDF sensors for comparison. The results of this study were reported by Simon in a comprehensive report in which the morphology of impacts and impactor residues in various types of capture cells after passage through two PVDF sensor films is discussed. Impactor fragments in selected capture cells from impacts at velocities up to 6.4 km/s were identified using scanning electron microscopy with energy dispersive spectroscopy (SEM/EDS).

A Non-Linear Model for Elastic Dielectric Crystals with Mobile Vacancies

DTIC Science & Technology

2009-07-01

crystals, vacancies typically carry an electric charge [18,37]. Such charged vacancies notably influence dielectric properties and elec- trical loss...characteristics of capacitors, oscillators, and tunable fil- ters [19], for example those comprised of perovskite ceramic crystals such as barium titanate...thermomechanical and thermoelectrical couplings, respectively, and the final term capturing non-mechanical sources of heat energy. 3.3. Representative free energy

Process of negative-muon-induced formation of an ionized acceptor center ({sub μ}A){sup –} in crystals with the diamond structure

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

Belousov, Yu. M., E-mail: theorphys@phystech.edu

The formation of an ionized acceptor center by a negative muon in crystals with the diamond structure is considered. The negative muon entering a target is captured by a nucleus, forming a muonic atom {sub μ}A coupled to a lattice. The appearing radiation-induced defect has a significant electric dipole moment because of the violation of the local symmetry of the lattice and changes the phonon spectrum of the crystal. The ionized acceptor center is formed owing to the capture of an electron interacting with the electric dipole moment of the defect and with the radiation of a deformation-induced local-mode phonon.more » Upper and lower bounds of the formation rate of the ionized acceptor center in diamond, silicon, and germanium crystals are estimated. It is shown that the kinetics of the formation of the acceptor center should be taken into account when processing μSR experimental data.« less

With a flick of the lid: a novel trapping mechanism in Nepenthes gracilis pitcher plants.

PubMed

Bauer, Ulrike; Di Giusto, Bruno; Skepper, Jeremy; Grafe, T Ulmar; Federle, Walter

2012-01-01

Carnivorous pitcher plants capture prey with modified leaves (pitchers), using diverse mechanisms such as 'insect aquaplaning' on the wet pitcher rim, slippery wax crystals on the inner pitcher wall, and viscoelastic retentive fluids. Here we describe a new trapping mechanism for Nepenthes gracilis which has evolved a unique, semi-slippery wax crystal surface on the underside of the pitcher lid and utilises the impact of rain drops to 'flick' insects into the trap. Depending on the experimental conditions (simulated 'rain', wet after 'rain', or dry), insects were captured mainly by the lid, the peristome, or the inner pitcher wall, respectively. The application of an anti-slip coating to the lower lid surface reduced prey capture in the field. Compared to sympatric N. rafflesiana, N. gracilis pitchers secreted more nectar under the lid and less on the peristome, thereby directing prey mainly towards the lid. The direct contribution to prey capture represents a novel function of the pitcher lid.

With a Flick of the Lid: A Novel Trapping Mechanism in Nepenthes gracilis Pitcher Plants

PubMed Central

Bauer, Ulrike; Di Giusto, Bruno; Skepper, Jeremy; Grafe, T. Ulmar; Federle, Walter

2012-01-01

Carnivorous pitcher plants capture prey with modified leaves (pitchers), using diverse mechanisms such as ‘insect aquaplaning’ on the wet pitcher rim, slippery wax crystals on the inner pitcher wall, and viscoelastic retentive fluids. Here we describe a new trapping mechanism for Nepenthes gracilis which has evolved a unique, semi-slippery wax crystal surface on the underside of the pitcher lid and utilises the impact of rain drops to ‘flick’ insects into the trap. Depending on the experimental conditions (simulated ‘rain’, wet after ‘rain’, or dry), insects were captured mainly by the lid, the peristome, or the inner pitcher wall, respectively. The application of an anti-slip coating to the lower lid surface reduced prey capture in the field. Compared to sympatric N. rafflesiana, N. gracilis pitchers secreted more nectar under the lid and less on the peristome, thereby directing prey mainly towards the lid. The direct contribution to prey capture represents a novel function of the pitcher lid. PMID:22719998

Crystallization and preliminary X-ray diffraction analysis of the CRISPR-Cas RNA-silencing Cmr complex.

PubMed

Osawa, Takuo; Inanaga, Hideko; Numata, Tomoyuki

2015-06-01

Clustered regularly interspaced short palindromic repeat (CRISPR)-derived RNA (crRNA) and CRISPR-associated (Cas) proteins constitute a prokaryotic adaptive immune system (CRISPR-Cas system) that targets and degrades invading genetic elements. The type III-B CRISPR-Cas Cmr complex, composed of the six Cas proteins (Cmr1-Cmr6) and a crRNA, captures and cleaves RNA complementary to the crRNA guide sequence. Here, a Cmr1-deficient functional Cmr (CmrΔ1) complex composed of Pyrococcus furiosus Cmr2-Cmr3, Archaeoglobus fulgidus Cmr4-Cmr5-Cmr6 and the 39-mer P. furiosus 7.01-crRNA was prepared. The CmrΔ1 complex was cocrystallized with single-stranded DNA (ssDNA) complementary to the crRNA guide by the vapour-diffusion method. The crystals diffracted to 2.1 Å resolution using synchrotron radiation at the Photon Factory. The crystals belonged to the triclinic space group P1, with unit-cell parameters a = 75.5, b = 76.2, c = 139.2 Å, α = 90.3, β = 104.8, γ = 118.6°. The asymmetric unit of the crystals is expected to contain one CmrΔ1-ssDNA complex, with a Matthews coefficient of 2.03 Å(3) Da(-1) and a solvent content of 39.5%.

Crystallization and Cooling of a Deep Silicate Magma Ocean

NASA Astrophysics Data System (ADS)

Wolf, A. S.; Bower, D. J.

2015-12-01

Impact and accretion simulations of terrestrial planet formation suggest that giant impacts are both common and expected to produce extensive melting. The moon-forming impact, for example, likely melted the majority of Earth's mantle to produce a global magma ocean that subsequently cooled and crystallized (e.g. Nakajima and Stevenson, 2015). Understanding the cooling process is critical to determining magma ocean lifetimes and recognizing possible remnant signatures of the magma ocean in present-day mantle heterogeneities (i.e. Labrosse et al., 2007). Modeling this evolution is challenging, however, due to the vastly different timescales and lengthscales associated with turbulent convection (magma ocean) and viscous creep (present-day mantle), in addition to uncertainties in material properties and chemical partitioning. We consider a simplified spherically-symmetric (1-D) magma ocean to investigate both its evolving structure and cooling timescale. Extending the work of Abe (1993), mixing-length theory is employed to determine convective heat transport, producing a high resolution model that captures the ultra-thin boundary layer (few cms) at the surface of the magma ocean. The thermodynamics of mantle melting are represented using a pseudo-one-component model, which retains the simplicity of a standard one-component model while introducing a finite temperature interval for melting (important for multi-component systems). We derive a new high P-T equation of state (EOS) formulation designed to capture the energetics and physical properties of the partially molten system using parameters that are readily interpreted in the context of magma ocean crystallization. This model is used to determine the cooling timescale for a variety of plausible thermodynamic models, with special emphasis on comparing the center-outwards vs bottom-up cooling scenarios that arise from the assumed EOS (e.g., Mosenfelder et al., 2009; Stixrude et al., 2009).

Three-Dimensional Inverse Opal Photonic Crystal Substrates toward Efficient Capture of Circulating Tumor Cells.

PubMed

Xu, Hongwei; Dong, Biao; Xiao, Qiaoqin; Sun, Xueke; Zhang, Xinran; Lyu, Jiekai; Yang, Yudan; Xu, Lin; Bai, Xue; Zhang, Shuang; Song, Hongwei

2017-09-13

Artificial fractal structures have attracted considerable scientific interest in circulating tumor cells (CTCs) detection and capture, which plays a pivotal role in the diagnosis and prognosis of cancer. Herein, we designed a bionic TiO 2 inverse opal photonic crystal (IOPC) structure for highly efficient immunocapture of CTCs by combination of a magnetic Fe 3 O 4 @C6@silane nanoparticles with anti-EpCAM (antiepithelial cell adhesion molecule) and microchannel structure. Porous structure and dimension of IOPC TiO 2 can be precisely controlled for mimicking cellular components, and anti-EpCAM antibody was further modified on IOPC interface by conjugating with polydopamine (PDA). The improvement of CTCs capture efficiency reaches a surprising factor of 20 for the IOPC interface compared to that on flat glass, suggesting that the IOPCs are responsible for the dramatic enhancement of the capture efficiency of MCF-7 cells. IOPC substrate with pore size of 415 nm leads to the optimal CTCs capture efficiency of 92% with 1 mL/h. Besides the cell affinity, IOPCs also have the advantage of light scattering property which can enhance the excitation and emission light of fluorescence labels, facilitating the real-time monitoring of CTCs capture. The IOPC-based platform demonstrates excellent performance in CTCs capture, which will take an important step toward specific recognition of disease-related rare cells.

Shock compression modeling of metallic single crystals: comparison of finite difference, steady wave, and analytical solutions

DOE PAGES

Lloyd, Jeffrey T.; Clayton, John D.; Austin, Ryan A.; ...

2015-07-10

Background: The shock response of metallic single crystals can be captured using a micro-mechanical description of the thermoelastic-viscoplastic material response; however, using a such a description within the context of traditional numerical methods may introduce a physical artifacts. Advantages and disadvantages of complex material descriptions, in particular the viscoplastic response, must be framed within approximations introduced by numerical methods. Methods: Three methods of modeling the shock response of metallic single crystals are summarized: finite difference simulations, steady wave simulations, and algebraic solutions of the Rankine-Hugoniot jump conditions. For the former two numerical techniques, a dislocation density based framework describes themore » rate- and temperature-dependent shear strength on each slip system. For the latter analytical technique, a simple (two-parameter) rate- and temperature-independent linear hardening description is necessarily invoked to enable simultaneous solution of the governing equations. For all models, the same nonlinear thermoelastic energy potential incorporating elastic constants of up to order 3 is applied. Results: Solutions are compared for plate impact of highly symmetric orientations (all three methods) and low symmetry orientations (numerical methods only) of aluminum single crystals shocked to 5 GPa (weak shock regime) and 25 GPa (overdriven regime). Conclusions: For weak shocks, results of the two numerical methods are very similar, regardless of crystallographic orientation. For strong shocks, artificial viscosity affects the finite difference solution, and effects of transverse waves for the lower symmetry orientations not captured by the steady wave method become important. The analytical solution, which can only be applied to highly symmetric orientations, provides reasonable accuracy with regards to prediction of most variables in the final shocked state but, by construction, does not provide insight into the shock structure afforded by the numerical methods.« less

Zero Liquid Discharge (ZLD) System for Flue-Gas Derived Water From Oxy-Combustion Process

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

Sivaram Harendra; Danylo Oryshchyn; Thomas Ochs

2011-10-16

Researchers at the National Energy Technology Laboratory (NETL) located in Albany, Oregon, have patented a process - Integrated Pollutant Removal (IPR) that uses off-the-shelf technology to produce a sequestration ready CO{sub 2} stream from an oxy-combustion power plant. Capturing CO{sub 2} from fossil-fuel combustion generates a significant water product which can be tapped for use in the power plant and its peripherals. Water condensed in the IPR{reg_sign} process may contain fly ash particles, sodium (from pH control), and sulfur species, as well as heavy metals, cations and anions. NETL is developing a treatment approach for zero liquid discharge while maximizingmore » available heat from IPR. Current treatment-process steps being studied are flocculation/coagulation, for removal of cations and fine particles, and reverse osmosis, for anion removal as well as for scavenging the remaining cations. After reverse osmosis process steps, thermal evaporation and crystallization steps will be carried out in order to build the whole zero liquid discharge (ZLD) system for flue-gas condensed wastewater. Gypsum is the major product from crystallization process. Fast, in-line treatment of water for re-use in IPR seems to be one practical step for minimizing water treatment requirements for CO{sub 2} capture. The results obtained from above experiments are being used to build water treatment models.« less

A Crystal Plasticity Model of Fatigue of Dissimilar Magnesium Alloy Bi-Crystals

NASA Astrophysics Data System (ADS)

Knight, Simon

A crystal plasticity finite element (CPFE) model was applied to the fatigue deformation of dissimilar Mg alloy bi-crystals. The mesoscopic stress-strain and microscopic slip and twinning behaviour of the model were first validated with experimental tension and compression data of pure Mg single crystals. High-cycle fatigue (HCF) simulations up to 1000 cycles were then used to systematically examine the effect of different textures on the cyclic deformation behavior of Mg AZ31-AZ80 bi-crystals at room-temperature. Fatigue behaviour was characterized in terms of the mesoscopic average stress-strain response and the evolution of the microscopic deformation (slip/twin activity). The model captures load asymmetry, cyclic hardening/softening and ratcheting. However, the model did not capture stress concentrations at the grain boundary (GB) for the grain shapes considered. Either basal slip or tensile twinning was activated for any given orientation. When the soft AZ31 grain is oriented for basal slip almost all the shear strain is contained in that grain and has approximately ten times more accumulated shear strain than the other orientations. The results reveal there is a strong effect from orientation combinations on the cyclic deformation wherein a "hard" orientation shields a "soft" orientation from strain. When the AZ80 grain is oriented for basal slip and the AZ31 grain is oriented for tensile twinning the bi-crystal is soft, but only in one direction since twinning is a polar mechanism. Approximately half as much accumulated shear strain occurs when both grains are oriented for twinning. The slip and twinning systems quickly harden in AZ31 in the first few hundred cycles and the shear strain amplitudes quickly devolve from values between 10-6 - 10-4 to around 10-7; values which would be difficult to resolve experimentally. The results were then extended to the possible effects on the fatigue behaviour of an AZ31-AZ80 dissimilar weld idealized as an AZ31-AZ80 bi-crystal. It is predicted that the worst fatigue behaviour would occur when one grain is oriented for basal slip: AZ31 grain, results in strain localization; AZ80 grain, results in an increase in twin boundaries and irreversible deformation in an AZ31 grain.

Autofluorescence of pigmented skin lesions using a pulsed UV laser with synchronized detection: clinical results

NASA Astrophysics Data System (ADS)

Cheng, Haynes P. H.; Svenmarker, Pontus; Xie, Haiyan; Tidemand-Lichtenberg, Peter; Jensen, Ole B.; Bendsoe, Niels; Svanberg, Katarina; Petersen, Paul Michael; Pedersen, Christian; Andersson-Engels, Stefan; Andersen, Peter E.

2010-04-01

We report preliminary clinical results of autofluorescence imaging of malignant and benign skin lesions, using pulsed 355 nm laser excitation with synchronized detection. The novel synchronized detection system allows high signal-tonoise ratio to be achieved in the resulting autofluorescence signal, which may in turn produce high contrast images that improve diagnosis, even in the presence of ambient room light. The synchronized set-up utilizes a compact, diode pumped, pulsed UV laser at 355 nm which is coupled to a CCD camera and a liquid crystal tunable filter. The excitation and image capture is sampled at 5 kHz and the resulting autofluorescence is captured with the liquid crystal filter cycling through seven wavelengths between 420 nm and 580 nm. The clinical study targets pigmented skin lesions and evaluates the prospects of using autofluorescence as a possible means in differentiating malignant and benign skin tumors. Up to now, sixteen patients have participated in the clinical study. The autofluorescence images, averaged over the exposure time of one second, will be presented along with histopathological results. Initial survey of the images show good contrast and diagnostic results show promising agreement based on the histopathological results.

A study of Channeling, Volume Reflection and Volume Capture of 3.35 - 14.0 GeV Electrons in a bent Silicon Crystal

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

Wistisen, T. N.; Uggerhoj, U. I.; Wienands, U.

2015-12-03

We present the experimental data and analysis of experiments conducted at SLAC National Accelerator Laboratory investigating the processes of channeling, volume-reflection and volume-capture along the (111) plane in a strongly bent quasi-mosaic silicon crystal. Additionally, these phenomena were investigated at 5 energies: 3.35, 4.2, 6.3, 10.5 and 14.0 GeV with a crystal with bending radius of 0.15m, corresponding to curvatures of 0.070, 0.088, 0.13, 0.22 and 0.29 times the critical curvature respectively. We have extracted important parameters describing the channeling process such as the dechanneling length, the angle of volume reflection, the surface transmission and the widths of the distributionmore » of channeled particles parallel and orthogonal to the plane.« less

Visualization of Hyperconjugation and Subsequent Structural Distortions through 3D Printing of Crystal Structures.

PubMed

Mithila, Farha J; Oyola-Reynoso, Stephanie; Thuo, Martin M; Atkinson, Manza Bj

2016-01-01

Structural distortions due to hyperconjugation in organic molecules, like norbornenes, are well captured through X-ray crystallographic data, but are sometimes difficult to visualize especially for those applying chemical knowledge and are not chemists. Crystal structure from the Cambridge database were downloaded and converted to .stl format. The structures were then printed at the desired scale using a 3D printer. Replicas of the crystal structures were accurately reproduced in scale and any resulting distortions were clearly visible from the macroscale models. Through space interactions or effect of through space hyperconjugation was illustrated through loss of symmetry or distortions thereof. The norbornene structures exhibits distortion that cannot be observed through conventional ball and stick modelling kits. We show that 3D printed models derived from crystallographic data capture even subtle distortions in molecules. We translate such crystallographic data into scaled-up models through 3D printing.

Size- and morphology-controllable synthesis of MIL-96 (Al) by hydrolysis and coordination modulation of dual aluminium source and ligand systems.

PubMed

Liu, Dandan; Liu, Yunqi; Dai, Fangna; Zhao, Jinchong; Yang, Kang; Liu, Chenguang

2015-10-07

In this paper, an efficient method to fabricate Al-based metal organic framework (Al-MOF) MIL-96 crystals with controllable size and morphology, by mixing other forms of reactants to replace the coordination modulators or capping agents, is presented. The size and morphology of the MIL-96 crystals can be selectively varied by simply altering the ratio of dual reactants via their hydrolysis reaction. All the samples were characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), Fourier Transform Infrared (FT-IR) spectroscopy, thermogravimetric analysis (TGA) and nitrogen sorption. Then based on the BFDH theory, a mechanism for the impact of hydrolysis of reactants on the crystal size and morphology is presented and discussed. We also evaluated the performance of these MOFs as sorbents for capturing CO2, and they all show enhanced adsorption properties compared with the bulk material, displaying high adsorption capacities on CO2 at atmospheric pressure and ambient temperature.

Hierarchical Structure and Multifunctional Surface Properties of Carnivorous Pitcher Plants Nepenthes

NASA Astrophysics Data System (ADS)

Hsu, Chiao-Peng; Lin, Yu-Min; Chen, Po-Yu

2015-04-01

Carnivorous pitcher plants of the genus Nepenthes have evolved specialized leaves fulfilling the multi-functions of attracting, capturing, retaining and digesting the prey, mostly arthropods. Different capturing mechanisms have been proposed and discussed in previous works. The most important capture mechanism is the unique super-hydrophilic surface properties of the peristome. The combination of a hierarchical surface structure and nectar secretions results in an exceptional water-lubricated trapping system. Anisotropic and unidirectional wettability is attributed to the ridge-like surface and epidermal folding. The three-dimensional plate-like wax crystals in the hydrophobic waxy zone can further prevent the prey from escaping. The captured prey are then digested in the hydrophilic digestive zone. The hybrid species Nepenthes × Miranda was investigated in this study. The surface morphology and hierarchical microstructure were characterized by scanning electron microscope. Contact angle measurement and wetting efficiency tests were performed to determine the wettability of the peristome under fresh, nectar-free and sucrose-coated conditions with controlled temperature and humidity. The results showed that sucrose-coated peristome surfaces possess the best wetting efficiency. The structure-property-function relationship and the capturing mechanism of Nepenthes were elucidated, which could further lead to the design and synthesis of novel bio-inspired surfaces and potential applications.

Insight into the Near-Conduction Band States at the Crystallized Interface between GaN and SiN x Grown by Low-Pressure Chemical Vapor Deposition.

PubMed

Liu, Xinyu; Wang, Xinhua; Zhang, Yange; Wei, Ke; Zheng, Yingkui; Kang, Xuanwu; Jiang, Haojie; Li, Junfeng; Wang, Wenwu; Wu, Xuebang; Wang, Xianping; Huang, Sen

2018-06-12

Constant-capacitance deep-level transient Fourier spectroscopy is utilized to characterize the interface between a GaN epitaxial layer and a SiN x passivation layer grown by low-pressure chemical vapor deposition (LPCVD). A near-conduction band (NCB) state E LP ( E C - E T = 60 meV) featuring a very small capture cross section of 1.5 × 10 -20 cm -2 was detected at 70 K at the LPCVD-SiN x /GaN interface. A partially crystallized Si 2 N 2 O thin layer was detected at the interface by high-resolution transmission electron microscopy. Based on first-principles calculations of crystallized Si 2 N 2 O/GaN slabs, it was confirmed that the NCB state E LP mainly originates from the strong interactions between the dangling bonds of gallium and its vicinal atoms near the interface. The partially crystallized Si 2 N 2 O interfacial layer might also give rise to the very small capture cross section of the E LP owing to the smaller lattice mismatch between the Si 2 N 2 O and GaN epitaxial layer and a larger mean free path of the electron in the crystallized portion compared with an amorphous interfacial layer.

Capture Matrices Handbook

DTIC Science & Technology

2014-04-01

192–195. 2. I. Šafařik and M. Šafařikova.2002. “Detection of Low Concentrations of Malachite Green and Crystal Violet in Water,” Water Research 36... Malachite Green and Crystal Violet in Water,” Water Research 36:196–200. 5. F. P. Schwarz and S. P. Wasik. 1976. “Fluorescence Measurements of Benzene...Detection of Low Concentration of Malachite Green and Crystal Violet in Water,” Water Research 36:196–200. 3. Y. Lee, C.-L. Chang, and L.-M. Fu. 2011

A dislocation-based crystal plasticity framework for dynamic ductile failure of single crystals

NASA Astrophysics Data System (ADS)

Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

2017-11-01

A framework for dislocation-based viscoplasticity and dynamic ductile failure has been developed to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. An averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Additionally, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in (Wilkerson and Ramesh, 2014), which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.

Dual-responsive surfaces modified with phenylboronic acid-containing polymer brush to reversibly capture and release cancer cells.

PubMed

Liu, Hongliang; Li, Yingying; Sun, Kang; Fan, Junbing; Zhang, Pengchao; Meng, Jingxin; Wang, Shutao; Jiang, Lei

2013-05-22

Artificial stimuli-responsive surfaces that can mimic the dynamic function of living systems have attracted much attention. However, there exist few artificial systems capable of responding to dual- or multistimulation as the natural system does. Herein, we synthesize a pH and glucose dual-responsive surface by grafting poly(acrylamidophenylboronic acid) (polyAAPBA) brush from aligned silicon nanowire (SiNW) array. The as-prepared surface can reversibly capture and release targeted cancer cells by precisely controlling pH and glucose concentration, exhibiting dual-responsive AND logic. In the presence of 70 mM glucose, the surface is pH responsive, which can vary from a cell-adhesive state to a cell-repulsive state by changing the pH from 6.8 to 7.8. While keeping the pH at 7.8, the surface becomes glucose responsive--capturing cells in the absence of glucose and releasing cells by adding 70 mM glucose. Through simultaneously changing the pH and glucose concentration from pH 6.8/0 mM glucose to pH 7.8/70 mM glucose, the surface is dual responsive with the capability to switch between cell capture and release for at least 5 cycles. The cell capture and release process on this dual-responsive surface is noninvasive with cell viability higher than 95%. Moreover, topographical interaction between the aligned SiNW array and cell protrusions greatly amplifies the responsiveness and accelerates the response rate of the dual-responsive surface between cell capture and release. The responsive mechanism of the dual-responsive surface is systematically studied using a quartz crystal microbalance, which shows that the competitive binding between polyAAPBA/sialic acid and polyAAPBA/glucose contributes to the dual response. Such dual-responsive surface can significantly impact biomedical and biological applications including cell-based diagnostics, in vivo drug delivery, etc.

Energy-dispersive neutron imaging and diffraction of magnetically driven twins in a Ni2MnGa single crystal magnetic shape memory alloy

NASA Astrophysics Data System (ADS)

Kabra, Saurabh; Kelleher, Joe; Kockelmann, Winfried; Gutmann, Matthias; Tremsin, Anton

2016-09-01

Single crystals of a partially twinned magnetic shape memory alloy, Ni2MnGa, were imaged using neutron diffraction and energy-resolved imaging techniques at the ISIS spallation neutron source. Single crystal neutron diffraction showed that the crystal produces two twin variants with a specific crystallographic relationship. Transmission images were captured using a time of flight MCP/Timepix neutron counting detector. The twinned and untwinned regions were clearly distinguishable in images corresponding to narrow-energy transmission images. Further, the spatially-resolved transmission spectra were used to elucidate the orientations of the crystallites in the different volumes of the crystal.

An ultrasensitive quartz crystal microbalance-micropillars based sensor for humidity detection

NASA Astrophysics Data System (ADS)

Wang, Pengtao; Su, Junwei; Su, Che-Fu; Dai, Wen; Cernigliaro, George; Sun, Hongwei

2014-06-01

A unique sensing device, which couples microscale pillars with quartz crystal microbalance (QCM) substrate to form a resonant system, is developed to achieve several orders of magnitude enhancement in sensitivity compared to conventional QCM sensors. In this research, Polymethyl Methacrylate (PMMA) micropillars are fabricated on a QCM substrate using nanoimprinting lithography. The effects of pillar geometry and physical properties, tuned by molecular weight (MW) of PMMA, on the resonant characteristics of QCM-micropillars device are systematically investigated. It is found that the resonant frequency shift increases with increasing MW. The coupled QCM-micropillars device displays nonlinear frequency response, which is opposite to the linear response of conventional QCM devices. In addition, a positive resonant frequency shift is captured near the resonant point of the coupled QCM-micropillars system. Humidity detection experiments show that compared to current nanoscale feature based QCM sensors, QCM-micropillars devices offer higher sensitivity and moderate response time. This research points to a novel way of improving sensitivity of acoustic wave sensors without the need for fabricating surface nanostructures.

Modeling collective behavior of dislocations in crystalline materials

NASA Astrophysics Data System (ADS)

Varadhan, Satya N.

Elastic interaction of dislocations leads to collective behavior and determines plastic response at the mesoscale. Notable characteristics of mesoscale plasticity include the formation of dislocation patterns, propagative instability phenomena due to strain aging such as the Luders and Portevin-Le Chatelier effects, and size-dependence of low stress. This work presents a unified approach to modeling collective behavior based on mesoscale field dislocation mechanics and crystal plasticity, using constitutive models with physical basis. Successful application is made to: compression of a bicrystal, where "smaller is stronger"---the flow stress increases as the specimen size is reduced; torsional creep of ice single crystals, where the plastic strain rate increases with time under constant applied torque; strain aging in a single crystal alloy, where the transition from homogeneous deformation to intermittent bands to continuous band is captured as the applied deformation rate is increased. A part of this work deals with the kinematics of dislocation density evolution. An explicit Galerkin/least-squares formulation is introduced for the quasilinear evolution equation, which leads to a symmetric and well-conditioned system of equations with constant coefficients, making it attractive for large-scale problems. It is shown that the evolution equation simplifies to the Hamilton-Jacobi equations governing geometric optics and level set methods in the following physical contexts: annihilation of dislocations, expansion of a polygonal dislocation loop and operation of a Frank-Read source. The weak solutions to these equations are not unique, and the numerical method is able to capture solutions corresponding to shock as well as expansion fans.

Long term observation of low altitude atmosphere by high precision polarization lidar

NASA Astrophysics Data System (ADS)

Shiina, Tatsuo; Noguchi, Kazuo; Fukuchi, Tetsuo

2011-11-01

Prediction of weather disaster such as heavy rain and light strike is an earnest desire. Successive monitoring of the low altitude atmosphere is important to predict it. The weather disaster often befalls with a steep change in a local area. It is hard for usual meteorological equipments to capture and alert it speedily. We have been developed the near range lidar to capture and analyze the low altitude atmosphere. In this study, high precision polarization lidar was developed to observe the low altitude atmosphere. This lidar has the high extinction ratio of polarization of >30dB to detect the small polarization change of the atmosphere. The change of the polarization in the atmosphere leads to the detection of the depolarization effect and the Faraday effect, which are caused by ice-crystals and lightning discharge, respectively. As the lidar optics is "inline" type, which means common use of optics for transmitter and receiver, it can observe the near range echo with the narrow field of view. The long-term observation was accomplished at low elevation angle. It aims to monitor the low altitude atmosphere under the cloud base and capture its spatial distribution and convection process. In the viewpoint of polarization, the ice-crystals' flow and concentration change of the aerosols are monitored. The observation has been continued in the cloudy and rainy days. The thunder cloud is also a target. In this report, the system specification is explained to clear the potential and the aims. The several observation data including the long-term observation will be shown with the consideration of polarization analysis.

Bench-Scale Development of a Hot Carbonate Absorption Process with Crystallization-Enabled High-Pressure Stripping for Post-Combustion CO{sub 2} Capture

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

Lu, Yongqi; DeVries, Nicholas; Ruhter, David

A novel Hot Carbonate Absorption Process with Crystallization-Enabled High-Pressure Stripping (Hot-CAP) has been developed by the University of Illinois at Urbana-Champaign and Carbon Capture Scientific, LLC in this three-year, bench-scale project. The Hot-CAP features a concentrated carbonate solution (e.g., K{sub 2}CO{sub 3}) for CO{sub 2} absorption and a bicarbonate slurry (e.g., KHCO{sub 3}) for high-pressure CO{sub 2} stripping to overcome the energy use and other disadvantages associated with the benchmark monoethanolamine (MEA) process. The project was aimed at performing laboratory- and bench-scale experiments to prove its technical feasibility and generate process engineering and scale-up data, and conducting a techno-economic analysismore » (TEA) to demonstrate its energy use and cost competitiveness over MEA. To meet project goals and objectives, a combination of experimental, modeling, process simulation, and economic analysis studies were applied. Carefully designed and intensive experiments were conducted to measure thermodynamic and reaction engineering data relevant to four major unit operations in the Hot-CAP (i.e., CO{sub 2} absorption, CO{sub 2} stripping, bicarbonate crystallization, and sulfate reclamation). The rate promoters that could accelerate the CO{sub 2} absorption rate into the potassium carbonate/bicarbonate (PCB) solution to a level greater than that into the 5 M MEA solution were identified, and the superior performance of CO{sub 2} absorption into PCB was demonstrated in a bench-scale packed-bed column. Kinetic data on bicarbonate crystallization were developed and applied for crystallizer design and sizing. Parametric testing of high-pressure CO{sub 2} stripping with concentrated bicarbonate-dominant slurries at high temperatures ({>=}140{degrees}C) in a bench-scale stripping column demonstrated lower heat use than with MEA. The feasibility of a modified process for combining SO{sub 2} removal with CO{sub 2} capture was preliminarily demonstrated. In addition to the experimental studies, the technical challenges pertinent to fouling of slurry-handling equipment and the design of the crystallizer and stripper were addressed through consultation with vendors and engineering analyses. A process flow diagram of the Hot-CAP was then developed and a TEA was performed to compare the energy use and cost performance of a nominal 550-MWe subcritical pulverized coal (PC)-fired power plant without CO{sub 2} capture (DOE/NETL Case 9) with the benchmark MEA-based post-combustion CO{sub 2} capture (PCC; DOE/NETL Case 10) and the Hot-CAP-based PCC. The results revealed that the net power produced in the PC + Hot-CAP is 609 MWe, greater than the PC + MEA (550 MWe). The 20-year levelized cost of electricity (LCOE) for the PC + Hot-CAP, including CO{sub 2} transportation and storage, is 120.3 mills/kWh, a 60% increase over the base PC plant without CO{sub 2} capture. The LCOE increase for the Hot-CAP is 29% lower than that for MEA. TEA results demonstrated that the Hot-CAP is energy-efficient and cost-effective compared with the benchmark MEA process.« less

Computational model for living nematic

NASA Astrophysics Data System (ADS)

Genkin, Mikhail; Sokolov, Andrey; Lavrentovich, Oleg; Aranson, Igor

A realization of an active system has been conceived by combining swimming bacteria and a lyotropic nematic liquid crystal. Here, by coupling the well-established and validated model of nematic liquid crystals with the bacterial dynamics we developed a computational model describing intricate properties of such a living nematic. In faithful agreement with the experiment, the model reproduces the onset of periodic undulation of the nematic director and consequent proliferation of topological defects with the increase in bacterial concentration. It yields testable prediction on the accumulation and transport of bacteria in the cores of +1/2 topological defects and depletion of bacteria in the cores of -1/2 defects. Our new experiment on motile bacteria suspended in a free-standing liquid crystalline film fully confirmed this prediction. This effect can be used to capture and manipulation of small amounts of bacteria.

Novel ZIF-300 Mixed-Matrix Membranes for Efficient CO2 Capture.

PubMed

Yuan, Jianwei; Zhu, Haipeng; Sun, Jiajia; Mao, Yangyang; Liu, Gongping; Jin, Wanqin

2017-11-08

Because of the high separation performance and easy preparation, mixed-matrix membranes (MMMs) consisting of metal-organic frameworks have received much attention. In this article, we report a novel ZIF-300/PEBA MMM consisting of zeolite imidazolate framework (ZIF-300) crystals and polyether block amide (PEBA) matrix. The ZIF-300 crystal size was effectively reduced by optimizing the hydrothermal reaction condition from ∼15 to ∼1 μm. The morphology and physicochemical and sorption properties of the synthesized ZIF-300 crystals and as-prepared ZIF-300/PEBA MMMs were systematically studied. The results showed that ZIF-300 crystals with a size of ∼1 μm maintained excellent preferential CO 2 sorption over N 2 without degradation of the crystal structure in the MMMs. As a result, uniformly incorporated ZIF-300 crystals highly enhanced both the CO 2 permeability and the CO 2 /N 2 selectivity of pure PEBA membrane. The optimized ZIF-300-PEBA MMMs with a ZIF-300 loading of 30 wt % exhibited a high and stable CO 2 permeability of 83 Barrer and CO 2 /N 2 selectivity of 84, which are 59.2% and 53.5% higher than pure PEBA membrane, respectively. The obtained performance surpassed the upper bound of state-of-the-art membranes for CO 2 /N 2 separation. This work demonstrated that the proposed ZIF-300/PEBA MMM could be a potential candidate for an efficient CO 2 capture process.

Characteristics of Young Rhyolites at Taupo, New Zealand: Implications for the Sub-Surface Plutonic System

NASA Astrophysics Data System (ADS)

Wilson, C. J.; Charlier, B. L.

2007-12-01

The young history of Taupo volcano captures the growth and destruction in the 26.5 ka ca. 530 km3 Oruanui eruption of a large rhyolitic magma body, together with the subsequent rejuvenation of magma sources below the volcano. Integration of field information with petrological and isotopic studies at the whole-pumice and single- crystal scales provide a picture of this history. Several important contrasts are inferred to exist between Taupo and comparably-sized, long-lived silicic foci such at Long Valley and in the Bishop Tuff. At Taupo the following are demonstrable. 1. Even in crystal-poor rhyolites like the Oruanui, many grains are inherited antecrysts or xenocrysts. The Oruanui crystal-poor rhyolite body was an open system, with influxes of crystals (plus melt) from remobilised older crystal mush, melted metasedimentary country rocks and plutonics, and crystal-poor basaltic to andesitic magmas. 2. All the Taupo rhyolites were well mixed prior to eruption, and there are no gradients in the eruption products to suggest that the holding chamber(s) were stratified to any extent. 3. Mafic magmas rose into, interacted with, and ponded on the floors of crystal-poor rhyolite in the Oruanui and Waimihia (3.5 ka) examples, again implying that the chamber floor was sharply defined, not a gradual progression down into a more crystal- rich root zone. 4. Pre-Oruanui activity involved contrasting magma types being generated simultaneously, but erupting from geographically separated vents. Post-Oruanui activity has seen (subtly) contrasting magma groups being erupted from vents in the same geographic area, but separated in time. The Oruanui and post-Oruanui magmas are different and do not appear to be related by consanguinity or by mixing - the Oruanui eruption effectively destroyed its magma body. These features are consistent with rhyolite magma generation at Taupo that is exceptionally fast, driven by high fluxes of mafic magmas into a highly heterogeneous crustal melange of metasedimentary and igneous lithologies. There is no voluminous crystal mush body to act as a buffer for the rhyolite generation processes; the eruption frequency at Taupo gives no chance for such a body to develop.

Improved associative recall of binary data in volume holographic memories

NASA Astrophysics Data System (ADS)

Betzos, George A.; Laisné, Alexandre; Mitkas, Pericles A.

1999-11-01

A new technique is presented that improves the results of associative recall in a volume holographic memory system. A background is added to the normal search argument to increase the amount of optical power that is used to reconstruct the reference beams in the crystal. This is combined with post-processing of the captured image of the reference beams. The use of both the background and post-processing greatly improves the results by allowing associative recall using small arguments. In addition, the number of false hits is reduced and misses are virtually eliminated.

Protein sensing by nanofluidic crystal and its signal enhancement

PubMed Central

Sang, Jianming; Du, Hongtan; Wang, Wei; Chu, Ming; Wang, Yuedan; Li, Haichao; Alice Zhang, Haixia; Wu, Wengang; Li, Zhihong

2013-01-01

Nanofluidics has a unique property that ionic conductance across a nanometer-sized confined space is strongly affected by the space surface charge density, which can be utilized to construct electrical read-out biosensor. Based on this principle, this work demonstrated a novel protein sensor along with a sandwich signal enhancement approach. Nanoparticles with designed aptamer onside are assembled in a suspended micropore to form a 3-dimensional network of nanometer-sized interstices, named as nanofluidic crystal hereafter, as the basic sensing unit. Proteins captured by aptamers will change the surface charge density of nanoparticles and thereby can be detected by monitoring the ionic conductance across this nanofluidic crystal. Another aptamer can further enlarge the variations of the surface charge density by forming a sandwich structure (capturing aptamer/protein/signal enhancement aptamer) and the read-out conductance as well. The preliminary experimental results indicated that human α-thrombin was successfully detected by the corresponding aptamer modified nanofluidic crystal with the limit of detection of 5 nM (0.18 μg/ml) and the read-out signal was enhanced up to 3 folds by using another thrombin aptamer. Being easy to graft probe, facile and low-cost to prepare the nano-device, and having an electrical read-out, the present nanofluidic crystal scheme is a promising and universal strategy for protein sensing. PMID:24404017

Primary Phase Field of the Pb-Doped 2223 High-Tc Superconductor in the (Bi, Pb)-Sr-Ca-Cu-O System

PubMed Central

Wong-Ng, W.; Cook, L. P.; Kearsley, A.; Greenwood, W.

1999-01-01

Both liquidus and subsolidus phase equilibrium data are of central importance for applications of high temperature superconductors in the (Bi, Pb)-Sr-Ca-Cu-O system, including material synthesis, melt processing and single crystal growth. The subsolidus equilibria of the 110 K high-Tc Pb-doped 2223 ([Bi, Pb], Sr, Ca, Cu) phase and the location of the primary phase field (crystallization field) have been determined in this study. For the quantitative determination of liquidus data, a wicking technique was developed to capture the melt for quantitative microchemical analysis. A total of 29 five-phase volumes that include the 2223 phase as a component was obtained. The initial melt compositions of these volumes range from a mole fraction of 7.3 % to 28.0 % for Bi, 11.3 % to 27.8 % for Sr, 1.2 % to 19.4 % for Pb, 9.8 % to 30.8 % for Ca, and 17.1 % to 47.0 % for Cu. Based on these data, the crystallization field for the 2223 phase was constructed using the convex hull technique. A section of this “volume” was obtained by holding two components of the composition at the median value, allowing projection on the other three axes to show the extent of the field.

Ultrasound Flow Mapping for the Investigation of Crystal Growth.

PubMed

Thieme, Norman; Bonisch, Paul; Meier, Dagmar; Nauber, Richard; Buttner, Lars; Dadzis, Kaspars; Patzold, Olf; Sylla, Lamine; Czarske, Jurgen

2017-04-01

A high energy conversion and cost efficiency are keys for the transition to renewable energy sources, e.g., solar cells. The efficiency of multicrystalline solar cells can be improved by enhancing the understanding of its crystallization process, especially the directional solidification. In this paper, a novel measurement system for the characterization of flow phenomena and solidification processes in low-temperature model experiments on the basis of ultrasound (US) Doppler velocimetry is described. It captures turbulent flow phenomena in two planes with a frame rate of 3.5 Hz and tracks the shape of the solid-liquid interface during multihour experiments. Time-resolved flow mapping is performed using four linear US arrays with a total of 168 transducer elements. Long duration measurements are enabled through an online, field-programmable gate array (FPGA)-based signal processing. Nine single US transducers allow for in situ tracking of a solid-liquid interface. Results of flow and solidification experiments in the model experiment are presented and compared with numerical simulation. The potential of the developed US system for measuring turbulent flows and for tracking the solidification front during a directional crystallization process is demonstrated. The results of the model experiments are in good agreement with numerical calculations and can be used for the validation of numerical models, especially the selection of the turbulence model.

Smart detection of microRNAs through fluorescence enhancement on a photonic crystal.

PubMed

Pasquardini, L; Potrich, C; Vaghi, V; Lunelli, L; Frascella, F; Descrovi, E; Pirri, C F; Pederzolli, C

2016-04-01

The detection of low abundant biomarkers, such as circulating microRNAs, demands innovative detection methods with increased resolution, sensitivity and specificity. Here, a biofunctional surface was implemented for the selective capture of microRNAs, which were detected through fluorescence enhancement directly on a photonic crystal. To set up the optimal biofunctional surface, epoxy-coated commercially available microscope slides were spotted with specific anti-microRNA probes. The optimal concentration of probe as well as of passivating agent were selected and employed for titrating the microRNA hybridization. Cross-hybridization of different microRNAs was also tested, resulting negligible. Once optimized, the protocol was adapted to the photonic crystal surface, where fluorescent synthetic miR-16 was hybridized and imaged with a dedicated equipment. The photonic crystal consists of a dielectric multilayer patterned with a grating structure. In this way, it is possible to take advantage from both a resonant excitation of fluorophores and an angularly redirection of the emitted radiation. As a result, a significant fluorescence enhancement due to the resonant structure is collected from the patterned photonic crystal with respect to the outer non-structured surface. The dedicated read-out system is compact and based on a wide-field imaging detection, with little or no optical alignment issues, which makes this approach particularly interesting for further development such as for example in microarray-type bioassays. Copyright © 2016 Elsevier B.V. All rights reserved.

Flow Velocity Profiles in Actively-Driven 2D Nozzle Experiments using Freely-Suspended Smectic Liquid Crystal Films

NASA Astrophysics Data System (ADS)

Dutch, Evan; Briggs, Corrina; Ferguson, Kyle; Green, Adam; Park, Cheol; Glaser, Matt; Maclennan, Joe; Clark, Noel

Freely-suspended smectic A liquid crystal films have been used to explore a large range of interesting flow phenomena. Passive microrheology experiments have confirmed previously that such films are ideal systems with which to investigate two-dimensional (2D) hydrodynamics. Here we describe an experiment that uses smectic films to study actively-driven 2D flows. Flow excited by blowing air over a film of smectic liquid crystal material containing small inclusions is captured using digital video microscopy. The flow fields are extracted using particle imaging velocimetry. We have measured the velocity field generated by flow through a thin nozzle into a large rectangular reservoir and compared this to a theoretical model based on 2D complex potential flows. The observations confirm that there is parabolic flow in straight channels, and that the theory accurately models the film velocity flow field in the reservoir. This work was supported by NASA Grant No. NNX-13AQ81G, and NSF MRSEC Grants No. DMR-0820579 and DMR-1420736.

The prediction of crystal structure by merging knowledge methods with first principles quantum mechanics

NASA Astrophysics Data System (ADS)

Ceder, Gerbrand

2007-03-01

The prediction of structure is a key problem in computational materials science that forms the platform on which rational materials design can be performed. Finding structure by traditional optimization methods on quantum mechanical energy models is not possible due to the complexity and high dimensionality of the coordinate space. An unusual, but efficient solution to this problem can be obtained by merging ideas from heuristic and ab initio methods: In the same way that scientist build empirical rules by observation of experimental trends, we have developed machine learning approaches that extract knowledge from a large set of experimental information and a database of over 15,000 first principles computations, and used these to rapidly direct accurate quantum mechanical techniques to the lowest energy crystal structure of a material. Knowledge is captured in a Bayesian probability network that relates the probability to find a particular crystal structure at a given composition to structure and energy information at other compositions. We show that this approach is highly efficient in finding the ground states of binary metallic alloys and can be easily generalized to more complex systems.

Generalized continuum modeling of scale-dependent crystalline plasticity

NASA Astrophysics Data System (ADS)

Mayeur, Jason R.

The use of metallic material systems (e.g. pure metals, alloys, metal matrix composites) in a wide range of engineering applications from medical devices to electronic components to automobiles continues to motivate the development of improved constitutive models to meet increased performance demands while minimizing cost. Emerging technologies often incorporate materials in which the dominant microstructural features have characteristic dimensions reaching into the submicron and nanometer regime. Metals comprised of such fine microstructures often exhibit unique and size-dependent mechanical response, and classical approaches to constitutive model development at engineering (continuum) scales, being local in nature, are inadequate for describing such behavior. Therefore, traditional modeling frameworks must be augmented and/or reformulated to account for such phenomena. Crystal plasticity constitutive models have proven quite capable of capturing first-order microstructural effects such as grain orientation (elastic/plastic anisotropy), grain morphology, phase distribution, etc. on the deformation behavior of both single and polycrystals, yet suffer from the same limitations as other local continuum theories with regard to capturing scale-dependent mechanical response. This research is focused on the development, numerical implementation, and application of a generalized (nonlocal) theory of single crystal plasticity capable of describing the scale-dependent mechanical response of both single and polycrystalline metals that arises as a result of heterogeneous deformation. This research developed a dislocation-based theory of micropolar single crystal plasticity. The majority of nonlocal crystal plasticity theories are predicated on the connection between gradients of slip and geometrically necessary dislocations. Due to the diversity of existing nonlocal crystal plasticity theories, a review, summary, and comparison of representative model classes is presented in Chapter 2 from a unified dislocation-based perspective. The discussion of the continuum crystal plasticity theories is prefaced by a brief review of discrete dislocation plasticity, which facilitates the comparison of certain model aspects and also serves as a reference for latter segments of the research which make connection to this constitutive description. Chapter 2 has utility not only as a literature review, but also as a synthesis and analysis of competing and alternative nonlocal crystal plasticity modeling strategies from a common viewpoint. The micropolar theory of single crystal plasticity is presented in Chapter 3. Two different types of flow criteria are considered - the so-called single and multicriterion theories, and several variations of the dislocation-based strength models appropriate for each theory are presented and discussed. The numerical implementation of the two-dimensional version of the constitutive theory is given in Chapter 4. A user element subroutine for the implicit commercial finite element code Abaqus/Standard is developed and validated through the solution of initial-boundary value problems with closed-form solutions. Convergent behavior of the subroutine is also demonstrated for an initial-boundary value problem exhibiting strain localization. In Chapter 5, the models are employed to solve several standard initial-boundary value problems for heterogeneously deforming single crystals including simple shearing of a semi-infinite constrained thin film, pure bending of thin films, and simple shearing of a metal matrix composite with elastic inclusions. The simulation results are compared to those obtained from the solution of equivalent boundary value problems using discrete dislocation dynamics and alternative generalized crystal plasticity theories. Comparison and calibration with respect to the former provides guidance in the specification of non-traditional material parameters that arise in the model formulation and demonstrates its effectiveness at capturing the heterogeneous deformation fields and size-dependent mechanical behavior predicted by a finer scale constitutive description. Finally, in Chapter 6, the models are applied to simulate the deformation behavior of small polycrystalline ensembles. Several grain boundary constitutive descriptions are explored and the response characteristics are analyzed with respect to experimental observations as well as results obtained from discrete dislocation dynamics and alternative nonlocal crystal plasticity theories. Particular attention is focused on how the various grain boundary descriptions serve to either locally concentrate or diffuse deformation heterogeneity as a function of grain size.

Possible Detection of Solar Neutrons from the ISS

NASA Astrophysics Data System (ADS)

Benker, Nicole; Echeverria-Mora, Elena; Hamblin, Jennifer; Dowben, Peter A.; Enders, Axel; Kananen, Brant; Petrosky, James; McClory, John

2018-06-01

A low energy steady state solar neutron flux has been long predicted [1]. The Detector for the Analysis of Solar Neutrons (DANSON), designed to detect this flux, was launched on the OA-5 mission to the International Space Station (ISS) on 17 Oct. 2016, deployed aboard ISS, and returned 19 March 2017. This detector is insensitive to high energy solar neutron events associated with solar flares, which have now been routinely detected in the range of 40 to 140 MeV, but the lower energy steady state solar neutron background has not been thoroughly examined. DANSON is based on boron rich detector elements combined with a plastic moderator to thermalize neutrons at energies above 40 meV, maximizing the B10 capture of epithermal neutrons. The detector elements include boron carbide (B10C2HX) heterojunction diodes on silicon and lithium tetraborate (Li2B4O7) single crystals. Three types of lithium tetraborate detector elements are used: crystals with a natural abundance of 10B (approx. 20% 10B, 80% 11B), crystals enriched in 10B, and crystals enriched in 11B. Enrichment in 10B provides a higher cross section for thermal neutron capture, while enrichment in 11B results in a negligible cross section for thermal neutron capture while maintaining a proton capture cross section comparable to that of 10B. The signature of neutron capture in the lithium tetraborate samples is evident in the thermoluminescent spectra. In the boron carbide diodes, the signature is measured in the huge decrease in drift carrier lifetimes compared to pre-flight characterization data, corresponding to about 3×109 neutrons/cm2 exposure. Since the estimated total solar exposure time for deployment is 8×106 seconds, this amounts to about 250 to 375 neutrons and protons/cm2sec. The detector package shows increased detection on the zenith side of ISS, after subtraction of radiation events from energetic protons and other sources, indicating possible detection of solar neutrons. Additionally, detection of events on the nadir side implies detection of cosmic ray generated neutrons.[1] Biermann VL, Haxe O, Schulter A (1951) Neutrale Ultrastrahlung von der Sonne. Zeitschrift für Naturforschung 6a: 47-48.

Kinematic assumptions and their consequences on the structure of field equations in continuum dislocation theory

NASA Astrophysics Data System (ADS)

Silbermann, C. B.; Ihlemann, J.

2016-03-01

Continuum Dislocation Theory (CDT) relates gradients of plastic deformation in crystals with the presence of geometrically necessary dislocations. Therefore, the dislocation tensor is introduced as an additional thermodynamic state variable which reflects tensorial properties of dislocation ensembles. Moreover, the CDT captures both the strain energy from the macroscopic deformation of the crystal and the elastic energy of the dislocation network, as well as the dissipation of energy due to dislocation motion. The present contribution deals with the geometrically linear CDT. More precise, the focus is on the role of dislocation kinematics for single and multi-slip and its consequences on the field equations. Thereby, the number of active slip systems plays a crucial role since it restricts the degrees of freedom of plastic deformation. Special attention is put on the definition of proper, well-defined invariants of the dislocation tensor in order to avoid any spurious dependence of the resulting field equations on the coordinate system. It is shown how a slip system based approach can be in accordance with the tensor nature of the involved quantities. At first, only dislocation glide in one active slip system of the crystal is allowed. Then, the special case of two orthogonal (interacting) slip systems is considered and the governing field equations are presented. In addition, the structure and symmetry of the backstress tensor is investigated from the viewpoint of thermodynamical consistency. The results will again be used in order to facilitate the set of field equations and to prepare for a robust numerical implementation.

Detection of Prohibited Fish Drugs Using Silver Nanowires as Substrate for Surface-Enhanced Raman Scattering

PubMed Central

Song, Jia; Huang, Yiqun; Fan, Yuxia; Zhao, Zhihui; Yu, Wansong; Rasco, Barbara A.; Lai, Keqiang

2016-01-01

Surface-enhanced Raman scattering or surface-enhanced Raman spectroscopy (SERS) is a promising detection technology, and has captured increasing attention. Silver nanowires were synthesized using a rapid polyol method and optimized through adjustment of the molar ratio of poly(vinyl pyrrolidone) and silver nitrate in a glycerol system. Ultraviolet-visible spectrometry, X-ray diffraction, and transmission electron microscopy were used to characterize the silver nanowires. The optimal silver nanowires were used as a SERS substrate to detect prohibited fish drugs, including malachite green, crystal violet, furazolidone, and chloramphenicol. The SERS spectra of crystal violet could be clearly identified at concentrations as low as 0.01 ng/mL. The minimum detectable concentration for malachite green was 0.05 ng/mL, and for both furazolidone and chloramphenicol were 0.1 μg/mL. The results showed that the as-prepared Ag nanowires SERS substrate exhibits high sensitivity and activity. PMID:28335303

Defect Interactions in Anisotropic Two-Dimensional Fluids

NASA Astrophysics Data System (ADS)

Stannarius, R.; Harth, K.

2016-10-01

Disclinations in liquid crystals bear striking analogies to defect structures in a wide variety of physical systems, and their straightforward optical observability makes them excellent models to study fundamental properties of defect interactions. We employ freely suspended smectic-C films, which behave as quasi-two-dimensional polar nematics. A procedure to capture high-strength disclinations in localized spots is introduced. These disclinations are released in a controlled way, and the motion of the mutually repelling topological charges with strength +1 is studied quantitatively. We demonstrate that the classical models, which employ elastic one-constant approximation, fail to describe their dynamics correctly. In realistic liquid crystals, even small differences between splay and bend constants lead to the selection of pure splay or pure bend +1 defects. For those, the models work only in very special configurations. In general, additional director walls are involved which reinforce the repulsive interactions substantially.

A dislocation-based crystal plasticity framework for dynamic ductile failure of single crystals

DOE PAGES

Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

2017-08-02

We developed a framework for dislocation-based viscoplasticity and dynamic ductile failure to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. Furthermore, an averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Inmore » addition, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in [J. Wilkerson and K. Ramesh. A dynamic void growth model governed by dislocation kinetics. J. Mech. Phys. Solids, 70:262–280, 2014.], which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.« less

A study on 2, 4, 6-trinitrotolurene (TNT) vapor detection by using a quartz crystal microbalance with 18-crown-6 ether film

NASA Astrophysics Data System (ADS)

Phetchakul, Toempong; Phuvanatai, Pavaris

2017-07-01

The application of 18-crown-6 ether film for 2, 4, 6-trinitrotolurene (TNT) vapor detection by using quartz crystal microbalance (QCM) is studied. The film is coated on the quartz electrodes as sensitive material for capture TNT molecule. The parameters that are studied are concentration and mass or thickness of film. When the explosive adheres to surface of the crystal oscillator, the weight is changed and the resonance frequency of the crystal oscillator is shifted lower. The frequency shift (Δf) relates to concentration and mass or thickness. The high concentration and mass/thickness of film enhance the TNT detection.

Direct comparisons of ice cloud macro- and microphysical properties simulated by the Community Atmosphere Model version 5 with HIPPO aircraft observations

NASA Astrophysics Data System (ADS)

Wu, Chenglai; Liu, Xiaohong; Diao, Minghui; Zhang, Kai; Gettelman, Andrew; Lu, Zheng; Penner, Joyce E.; Lin, Zhaohui

2017-04-01

In this study we evaluate cloud properties simulated by the Community Atmosphere Model version 5 (CAM5) using in situ measurements from the HIAPER Pole-to-Pole Observations (HIPPO) campaign for the period of 2009 to 2011. The modeled wind and temperature are nudged towards reanalysis. Model results collocated with HIPPO flight tracks are directly compared with the observations, and model sensitivities to the representations of ice nucleation and growth are also examined. Generally, CAM5 is able to capture specific cloud systems in terms of vertical configuration and horizontal extension. In total, the model reproduces 79.8 % of observed cloud occurrences inside model grid boxes and even higher (94.3 %) for ice clouds (T ≤ -40 °C). The missing cloud occurrences in the model are primarily ascribed to the fact that the model cannot account for the high spatial variability of observed relative humidity (RH). Furthermore, model RH biases are mostly attributed to the discrepancies in water vapor, rather than temperature. At the micro-scale of ice clouds, the model captures the observed increase of ice crystal mean sizes with temperature, albeit with smaller sizes than the observations. The model underestimates the observed ice number concentration (Ni) and ice water content (IWC) for ice crystals larger than 75 µm in diameter. Modeled IWC and Ni are more sensitive to the threshold diameter for autoconversion of cloud ice to snow (Dcs), while simulated ice crystal mean size is more sensitive to ice nucleation parameterizations than to Dcs. Our results highlight the need for further improvements to the sub-grid RH variability and ice nucleation and growth in the model.

High-Resolution Structure of a Self-Assembly-Competent Form of a Hydrophobic Peptide Captured in a Soluble [beta]-Sheet Scaffold

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

Makabe, Koki; Biancalana, Matthew; Yan, Shude

2010-02-08

{beta}-Rich self-assembly is a major structural class of polypeptides, but still little is known about its atomic structures and biophysical properties. Major impediments for structural and biophysical studies of peptide self-assemblies include their insolubility and heterogeneous composition. We have developed a model system, termed peptide self-assembly mimic (PSAM), based on the single-layer {beta}-sheet of Borrelia outer surface protein A. PSAM allows for the capture of a defined number of self-assembly-like peptide repeats within a water-soluble protein, making structural and energetic studies possible. In this work, we extend our PSAM approach to a highly hydrophobic peptide sequence. We show that amore » penta-Ile peptide (Ile{sub 5}), which is insoluble and forms {beta}-rich self-assemblies in aqueous solution, can be captured within the PSAM scaffold in a form capable of self-assembly. The 1.1-{angstrom} crystal structure revealed that the Ile{sub 5} stretch forms a highly regular {beta}-strand within this flat {beta}-sheet. Self-assembly models built with multiple copies of the crystal structure of the Ile5 peptide segment showed no steric conflict, indicating that this conformation represents an assembly-competent form. The PSAM retained high conformational stability, suggesting that the flat {beta}-strand of the Ile{sub 5} stretch primed for self-assembly is a low-energy conformation of the Ile{sub 5} stretch and rationalizing its high propensity for self-assembly. The ability of the PSAM to 'solubilize' an otherwise insoluble peptide stretch suggests the potential of the PSAM approach to the characterization of self-assembling peptides.« less

Tuning the Photon Statistics of a Strongly Coupled Nanophotonic System

NASA Astrophysics Data System (ADS)

Dory, C.; Fischer, K. A.; Müller, K.; Lagoudakis, K. G.; Sarmiento, T.; Rundquist, A.; Zhang, J. L.; Kelaita, Y.; Sapra, N. V.; Vučković, J.

Strongly coupled quantum-dot-photonic-crystal cavity systems provide a nonlinear ladder of hybridized light-matter states, which are a promising platform for non-classical light generation. The transmission of light through such systems enables light generation with tunable photon counting statistics. By detuning the frequencies of quantum emitter and cavity, we can tune the transmission of light to strongly enhance either single- or two-photon emission processes. However, these nanophotonic systems show a strongly dissipative nature and classical light obscures any quantum character of the emission. In this work, we utilize a self-homodyne interference technique combined with frequency-filtering to overcome this obstacle. This allows us to generate emission with a strong two-photon component in the multi-photon regime, where we measure a second-order coherence value of g (2) [ 0 ] = 1 . 490 +/- 0 . 034 . We propose rate equation models that capture the dominant processes of emission both in the single- and multi-photon regimes and support them by quantum-optical simulations that fully capture the frequency filtering of emission from our solid-state system. Finally, we simulate a third-order coherence value of g (3) [ 0 ] = 0 . 872 +/- 0 . 021 . Army Research Office (ARO) (W911NF1310309), National Science Foundation (1503759), Stanford Graduate Fellowship.

Global phenomena from local rules: Peer-to-peer networks and crystal steps

NASA Astrophysics Data System (ADS)

Finkbiner, Amy

Even simple, deterministic rules can generate interesting behavior in dynamical systems. This dissertation examines some real world systems for which fairly simple, locally defined rules yield useful or interesting properties in the system as a whole. In particular, we study routing in peer-to-peer networks and the motion of crystal steps. Peers can vary by three orders of magnitude in their capacities to process network traffic. This heterogeneity inspires our use of "proportionate load balancing," where each peer provides resources in proportion to its individual capacity. We provide an implementation that employs small, local adjustments to bring the entire network into a global balance. Analytically and through simulations, we demonstrate the effectiveness of proportionate load balancing on two routing methods for de Bruijn graphs, introducing a new "reversed" routing method which performs better than standard forward routing in some cases. The prevalence of peer-to-peer applications prompts companies to locate the hosts participating in these networks. We explore the use of supervised machine learning to identify peer-to-peer hosts, without using application-specific information. We introduce a model for "triples," which exploits information about nearly contemporaneous flows to give a statistical picture of a host's activities. We find that triples, together with measurements of inbound vs. outbound traffic, can capture most of the behavior of peer-to-peer hosts. An understanding of crystal surface evolution is important for the development of modern nanoscale electronic devices. The most commonly studied surface features are steps, which form at low temperatures when the crystal is cut close to a plane of symmetry. Step bunching, when steps arrange into widely separated clusters of tightly packed steps, is one important step phenomenon. We analyze a discrete model for crystal steps, in which the motion of each step depends on the two steps on either side of it. We find an time-dependence term for the motion that does not appear in continuum models, and we determine an explicit dependence on step number.

Energy-Constrained Recharge, Assimilation, and Fractional Crystallization (EC-RAχFC): A Visual Basic computer code for calculating trace element and isotope variations of open-system magmatic systems

NASA Astrophysics Data System (ADS)

Bohrson, Wendy A.; Spera, Frank J.

2007-11-01

Volcanic and plutonic rocks provide abundant evidence for complex processes that occur in magma storage and transport systems. The fingerprint of these processes, which include fractional crystallization, assimilation, and magma recharge, is captured in petrologic and geochemical characteristics of suites of cogenetic rocks. Quantitatively evaluating the relative contributions of each process requires integration of mass, species, and energy constraints, applied in a self-consistent way. The energy-constrained model Energy-Constrained Recharge, Assimilation, and Fractional Crystallization (EC-RaχFC) tracks the trace element and isotopic evolution of a magmatic system (melt + solids) undergoing simultaneous fractional crystallization, recharge, and assimilation. Mass, thermal, and compositional (trace element and isotope) output is provided for melt in the magma body, cumulates, enclaves, and anatectic (i.e., country rock) melt. Theory of the EC computational method has been presented by Spera and Bohrson (2001, 2002, 2004), and applications to natural systems have been elucidated by Bohrson and Spera (2001, 2003) and Fowler et al. (2004). The purpose of this contribution is to make the final version of the EC-RAχFC computer code available and to provide instructions for code implementation, description of input and output parameters, and estimates of typical values for some input parameters. A brief discussion highlights measures by which the user may evaluate the quality of the output and also provides some guidelines for implementing nonlinear productivity functions. The EC-RAχFC computer code is written in Visual Basic, the programming language of Excel. The code therefore launches in Excel and is compatible with both PC and MAC platforms. The code is available on the authors' Web sites http://magma.geol.ucsb.edu/and http://www.geology.cwu.edu/ecrafc) as well as in the auxiliary material.

Factors Affecting the Changes of Ice Crystal Form in Ice Cream

NASA Astrophysics Data System (ADS)

Wang, Xin; Watanabe, Manabu; Suzuki, Toru

In this study, the shape of ice crystals in ice cream was quantitatively evaluated by introducing fractal analysis. A small droplet of commercial ice cream mix was quickly cooled to about -30°C on the cold stage of microscope. Subsequently, it was heated to -5°C or -10°C and then held for various holding time. Based on the captured images at each holding time, the cross-sectional area and the length of circumference for each ice crystal were measured to calculate fractal dimension using image analysis software. The results showed that the ice crystals were categorized into two groups, e.g. simple-shape and complicated-shape, according to their fractal dimensions. The fractal dimension of ice crystals became lower with increasing holding time and holding temperature. It was also indicated that the growing rate of complicated-shape ice crystals was relatively higher because of aggregation.

New pattern recognition system in the e-nose for Chinese spirit identification

NASA Astrophysics Data System (ADS)

Hui, Zeng; Qiang, Li; Yu, Gu

2016-02-01

This paper presents a new pattern recognition system for Chinese spirit identification by using the polymer quartz piezoelectric crystal sensor based e-nose. The sensors are designed based on quartz crystal microbalance (QCM) principle, and they could capture different vibration frequency signal values for Chinese spirit identification. For each sensor in an 8-channel sensor array, seven characteristic values of the original vibration frequency signal values, i.e., average value (A), root-mean-square value (RMS), shape factor value (Sf), crest factor value (Cf), impulse factor value (If), clearance factor value (CLf), kurtosis factor value (Kv) are first extracted. Then the dimension of the characteristic values is reduced by the principle components analysis (PCA) method. Finally the back propagation (BP) neutral network algorithm is used to recognize Chinese spirits. The experimental results show that the recognition rate of six kinds of Chinese spirits is 93.33% and our proposed new pattern recognition system can identify Chinese spirits effectively. Project supported by the National High Technology Research and Development Program of China (Grant No. 2013AA030901) and the Fundamental Research Funds for the Central Universities, China (Grant No. FRF-TP-14-120A2).

Adsorption and Transport of Methane Molecules through One-Dimensional Channels in Dipeptide-Based Materials

NASA Astrophysics Data System (ADS)

Paradiso, Daniele; Perelli Cippo, Enrico; Gorini, Giuseppe; Rossi, Giorgio; Larese, John Z.

The development of new materials for use in energy and environmental applications is of great interest, in particular in the areas of gas separation and carbon capture, where molecular transport plays a significant role. The dipeptides are organic molecules that offer an attractive possibility in such areas, because they form open hexagonal crystalline structures (space group P61) with quasi one-dimensional channels of tunable pore diameters in the range 3-6 Å. These molecular crystals exhibit selective adsorption, as well as, water and gas transport properties: these are believed to result from collective vibrations of the crystal structure that are coupled to the motions of the guest molecules within the channels. Current studies focus on characterizing the system methane and L-Isoleucyl-L-Valine (IV): this was initially done with high-resolution adsorption isotherms; then, high-resolution Inelastic Neutron Scattering measurements at the Spallation Neutron Source (BASIS spectrometer) revealed clear rotational tunneling peaks, offering details to unravel the potential energy surface of the system, as well as, evidences that channels flexibility and dynamical motion of the molecules have influence on the dipeptides adsorption properties.

On the Hydrogranular Dynamics of Magmatic Gravity Currents

NASA Astrophysics Data System (ADS)

McIntire, M. Z.; Bergantz, G. W.; Schleicher, J.; Burgisser, A.

2016-12-01

Magmatic processes are generally governed by multi-phase interactions of silicate liquid, crystals, and bubbles. However, the modes of dissipation and the manner that stress is transmitted are poorly understood. We use a model of a simple but widely applicable gravity current as a means to exemplify the hydrogranular dynamics in crystal-rich magmas. Viscous and lubrication forces are of special interest because they have a dual role in dispersal and mixing in a crystal-rich gravity current. For example, lubrication forces provide an initial apparent yield strength by inducing a negative pore pressure as crystals move apart. However, once the gravity current is underway, lubrication forces reduce the dissipation due to collision and frictional contact.The gravity current is initiated by a combination of toppling and sliding along a well-defined granular fault. This produces three distinct regimes: a quasi-static base, an overlying particle hump that translates in a quasi-plastic fashion by grain-passing and rolling until the angle of repose is reached, and a viscous particle current. The current initially forms a leading vortex at the head, but the loss of crystals by sedimentation-assisted granular capture by an upward growing particle front drains energy from the flow. The vortex is soon abandoned, but persists in the reservoir as a fossil feature of orphaned crystals in a smear of previous intercumulate fluid. The kinetic energy of the most active crystals decays in a dual fashion, initially linearly, then parabolically with a near symmetrical increase and loss of kinetic energy.There is very little entrainment and mixing between intercumulate and reservoir fluids from magmatic gravity currents. Only a thin seam of reservoir melt is captured by the base of the flow as it descends across the floor. Hence magmatic gravity currents, while producing modest amounts of crystal sorting, are not effective agents of mixing as lubrication and viscous forces inhibit interpenetration of reservoir fluid.

Chronic skin inflammation accelerates macrophage cholesterol crystal formation and atherosclerosis

PubMed Central

Ng, Qimin; Sanda, Gregory E.; Dey, Amit K.; Teague, Heather L.; Sorokin, Alexander V.; Dagur, Pradeep K.; Silverman, Joanna I.; Harrington, Charlotte L.; Rodante, Justin A.; Rose, Shawn M.; Varghese, Nevin J.; Belur, Agastya D.; Goyal, Aditya; Gelfand, Joel M.; Springer, Danielle A.; Bleck, Christopher K.E.; Thomas, Crystal L.; Yu, Zu-Xi; Winge, Mårten C.G.; Kruth, Howard S.; Marinkovich, M. Peter; Joshi, Aditya A.; Playford, Martin P.; Mehta, Nehal N.

2018-01-01

Inflammation is critical to atherogenesis. Psoriasis is a chronic inflammatory skin disease that accelerates atherosclerosis in humans and provides a compelling model to understand potential pathways linking these diseases. A murine model capturing the vascular and metabolic diseases in psoriasis would accelerate our understanding and provide a platform to test emerging therapies. We aimed to characterize a new murine model of skin inflammation (Rac1V12) from a cardiovascular standpoint to identify novel atherosclerotic signaling pathways modulated in chronic skin inflammation. The RacV12 psoriasis mouse resembled the human disease state, including presence of systemic inflammation, dyslipidemia, and cardiometabolic dysfunction. Psoriasis macrophages had a proatherosclerotic phenotype with increased lipid uptake and foam cell formation, and also showed a 6-fold increase in cholesterol crystal formation. We generated a triple-genetic K14-RacV12–/+/Srb1–/–/ApoER61H/H mouse and confirmed psoriasis accelerates atherogenesis (~7-fold increase). Finally, we noted a 60% reduction in superoxide dismutase 2 (SOD2) expression in human psoriasis macrophages. When SOD2 activity was restored in macrophages, their proatherogenic phenotype reversed. We demonstrate that the K14-RacV12 murine model captures the cardiometabolic dysfunction and accelerates vascular disease observed in chronic inflammation and that skin inflammation induces a proatherosclerotic macrophage phenotype with impaired SOD2 function, which associated with accelerated atherogenesis. PMID:29321372

Growth morphologies of wax in the presence of kinetic inhibitors

NASA Astrophysics Data System (ADS)

Tetervak, Alexander A.

Driven by the need to prevent crystallization of normal alkanes from diesel fuels in cold climates, the petroleum industry has developed additives to slow the growth of these crystals and alter their morphologies. Although the utility of these kinetic inhibitors has been well demonstrated in the field, few studies have directly monitored their effect at microscopic morphology, and the mechanisms by which they act remain poorly understood. Here we present a study of the effects of such additives on the crystallization of long-chain n-alkanes from solution. The additives change the growth morphology from plate-like crystals to a microcrystalline mesh. When we impose a front velocity by moving the sample through a temperature gradient, the mesh growth may form a macroscopic banded pattern and also exhibit a burst-crystallization behavior. In this study, we characterize these crystallization phenomena and also two growth models: a continuum model that demonstrates the essential behavior of the banded crystallization, and a simple qualitative cellular automata model that captures basics of the burst-crystallization process. Keywords: solidification; mesh crystallization; kinetic inhibitor; burst growth.

Modeling of abnormal mechanical properties of nickel-based single crystal superalloy by three-dimensional discrete dislocation dynamics

NASA Astrophysics Data System (ADS)

Yang, Hui; Li, Zhenhuan; Huang, Minsheng

2014-12-01

Unlike common single crystals, the nickel-based single crystal superalloy shows surprisingly anomalous flow strength (i.e. with the increase of temperature, the yield strength first increases to a peak value and then decreases) and tension-compression (TC) asymmetry. A comprehensive three-dimensional discrete dislocation dynamics (3D-DDD) procedure was developed to model these abnormal mechanical properties. For this purpose, a series of complicated dynamic evolution details of Kear-Wilsdorf (KW) locks, which are closely related to the flow strength anomaly and TC asymmetry, were incorporated into this 3D-DDD framework. Moreover, the activation of the cubic slip system, which is the origin of the decrease in yield strength with increasing temperature at relatively high temperatures, was especially taken into account by introducing a competition criterion between the unlocking of the KW locks and the activation of the cubic slip system. To test our framework, a series of 3D-DDD simulations were performed on a representative volume cell model with a cuboidal Ni3Al precipitate phase embedded in a nickel matrix. Results show that the present 3D-DDD procedure can successfully capture the dynamic evolution of KW locks, the flow strength anomaly and TC asymmetry. Then, the underlying dislocation mechanisms leading to these abnormal mechanical responses were investigated and discussed in detail. Finally, a cyclic deformation of the nickel-based single crystal superalloy was modeled by using the present DDD model, with a special focus on the influence of KW locks on the Bauschinger effect and cyclic softening.

Twin nucleation and migration in FeCr single crystals

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

Patriarca, L.; Abuzaid, Wael; Sehitoglu, Huseyin, E-mail: huseyin@illinois.edu

2013-01-15

Tension and compression experiments were conducted on body-centered cubic Fe -47.8 at pct. Cr single crystals. The critical resolved shear stress (CRSS) magnitudes for slip nucleation, twin nucleation and twin migration were established. We show that the nucleation of slip occurs at a CRSS of about 88 MPa, while twinning nucleates at a CRSS of about 191 MPa with an associated load drop. Following twin nucleation, twin migration proceeds at a CRSS that is lower than the initiation stress ( Almost-Equal-To 114-153 MPa). The experimental results of the nucleation stresses indicate that the Schmid law holds to a first approximationmore » for the slip and twin nucleation cases, but to a lesser extent for twin migration particularly when considerable slip strains preceded twinning. The CRSSs were determined experimentally using digital image correlation (DIC) in conjunction with electron back scattering diffraction (EBSD). The DIC measurements enabled pinpointing the precise stress on the stress-strain curves where twins or slip were activated. The crystal orientations were obtained using EBSD and used to determine the activated twin and slip systems through trace analysis. - Highlights: Black-Right-Pointing-Pointer Digital image correlation allows to capture slip/twin initiation for bcc FeCr. Black-Right-Pointing-Pointer Crystal orientations from EBSD allow slip/twin system indexing. Black-Right-Pointing-Pointer Nucleation of slip always precedes twinning. Black-Right-Pointing-Pointer Twin growth is sustained with a lower stress than required for nucleation. Black-Right-Pointing-Pointer Twin-slip interactions provide high hardening at the onset of plasticity.« less

In-situ Optical Waveguides for Monitoring and Modifying Protein Crystal Growth

NASA Technical Reports Server (NTRS)

Gibson, Ursula; Osterberg, Ulf

2004-01-01

The use of electric fields in the growth of protein crystals was investigated, both theoretically and experimentally. We used dc, ac and optical fields to change the spatial distribution of proteins. Dc fields had only local effects, due to the conductivity of the growth solution. We found that for low frequency fields, movement of the buffer and salt ions dominated, and that for high frequency ac fields, &electrophoretic effects could be useful for relocating growing protein crystals. The most promising result was that for optical fields, a large gradient in the field could be used to capture a crystal, and observe growth in-situ. This concept could be developed into an experimental setup compatible with automated x-ray diffraction measurements in microgravity.

Structure of finite sphere packings via exact enumeration: Implications for colloidal crystal nucleation

NASA Astrophysics Data System (ADS)

Hoy, Robert S.; Harwayne-Gidansky, Jared; O'Hern, Corey S.

2012-05-01

We analyze the geometric structure and mechanical stability of a complete set of isostatic and hyperstatic sphere packings obtained via exact enumeration. The number of nonisomorphic isostatic packings grows exponentially with the number of spheres N, and their diversity of structure and symmetry increases with increasing N and decreases with increasing hyperstaticity H≡Nc-NISO, where Nc is the number of pair contacts and NISO=3N-6. Maximally contacting packings are in general neither the densest nor the most symmetric. Analyses of local structure show that the fraction f of nuclei with order compatible with the bulk (rhcp) crystal decreases sharply with increasing N due to a high propensity for stacking faults, five- and near-fivefold symmetric structures, and other motifs that preclude rhcp order. While f increases with increasing H, a significant fraction of hyperstatic nuclei for N as small as 11 retain non-rhcp structure. Classical theories of nucleation that consider only spherical nuclei, or only nuclei with the same ordering as the bulk crystal, cannot capture such effects. Our results provide an explanation for the failure of classical nucleation theory for hard-sphere systems of N≲10 particles; we argue that in this size regime, it is essential to consider nuclei of unconstrained geometry. Our results are also applicable to understanding kinetic arrest and jamming in systems that interact via hard-core-like repulsive and short-ranged attractive interactions.

A Miniature System for Separating Aerosol Particles and Measuring Mass Concentrations

PubMed Central

Liang, Dao; Shih, Wen-Pin; Chen, Chuin-Shan; Dai, Chi-An

2010-01-01

We designed and fabricated a new sensing system which consists of two virtual impactors and two quartz-crystal microbalance (QCM) sensors for measuring particle mass concentration and size distribution. The virtual impactors utilized different inertial forces of particles in air flow to classify different particle sizes. They were designed to classify particle diameter, d, into three different ranges: d < 2.28 μm, 2.28 μm ≤ d ≤ 3.20 μm, d > 3.20 μm. The QCM sensors were coated with a hydrogel, which was found to be a reliable adhesive for capturing aerosol particles. The QCM sensor coated with hydrogel was used to measure the mass loading of particles by utilizing its characteristic of resonant frequency shift. An integrated system has been demonstrated. PMID:22319317

Statistical Analysis of Crystallization Database Links Protein Physico-Chemical Features with Crystallization Mechanisms

PubMed Central

Fusco, Diana; Barnum, Timothy J.; Bruno, Andrew E.; Luft, Joseph R.; Snell, Edward H.; Mukherjee, Sayan; Charbonneau, Patrick

2014-01-01

X-ray crystallography is the predominant method for obtaining atomic-scale information about biological macromolecules. Despite the success of the technique, obtaining well diffracting crystals still critically limits going from protein to structure. In practice, the crystallization process proceeds through knowledge-informed empiricism. Better physico-chemical understanding remains elusive because of the large number of variables involved, hence little guidance is available to systematically identify solution conditions that promote crystallization. To help determine relationships between macromolecular properties and their crystallization propensity, we have trained statistical models on samples for 182 proteins supplied by the Northeast Structural Genomics consortium. Gaussian processes, which capture trends beyond the reach of linear statistical models, distinguish between two main physico-chemical mechanisms driving crystallization. One is characterized by low levels of side chain entropy and has been extensively reported in the literature. The other identifies specific electrostatic interactions not previously described in the crystallization context. Because evidence for two distinct mechanisms can be gleaned both from crystal contacts and from solution conditions leading to successful crystallization, the model offers future avenues for optimizing crystallization screens based on partial structural information. The availability of crystallization data coupled with structural outcomes analyzed through state-of-the-art statistical models may thus guide macromolecular crystallization toward a more rational basis. PMID:24988076

Statistical analysis of crystallization database links protein physico-chemical features with crystallization mechanisms.

PubMed

Fusco, Diana; Barnum, Timothy J; Bruno, Andrew E; Luft, Joseph R; Snell, Edward H; Mukherjee, Sayan; Charbonneau, Patrick

2014-01-01

X-ray crystallography is the predominant method for obtaining atomic-scale information about biological macromolecules. Despite the success of the technique, obtaining well diffracting crystals still critically limits going from protein to structure. In practice, the crystallization process proceeds through knowledge-informed empiricism. Better physico-chemical understanding remains elusive because of the large number of variables involved, hence little guidance is available to systematically identify solution conditions that promote crystallization. To help determine relationships between macromolecular properties and their crystallization propensity, we have trained statistical models on samples for 182 proteins supplied by the Northeast Structural Genomics consortium. Gaussian processes, which capture trends beyond the reach of linear statistical models, distinguish between two main physico-chemical mechanisms driving crystallization. One is characterized by low levels of side chain entropy and has been extensively reported in the literature. The other identifies specific electrostatic interactions not previously described in the crystallization context. Because evidence for two distinct mechanisms can be gleaned both from crystal contacts and from solution conditions leading to successful crystallization, the model offers future avenues for optimizing crystallization screens based on partial structural information. The availability of crystallization data coupled with structural outcomes analyzed through state-of-the-art statistical models may thus guide macromolecular crystallization toward a more rational basis.

Caught in the act

PubMed Central

Meyer, Hermann-Josef

2013-01-01

The crystal structure of a HECT E3 enzyme has been captured as it transfers ubiquitin to a target protein, revealing the dramatic changes in shape that enable it to modify particular residues in its targets. PMID:23936629

A simple 2D composite image analysis technique for the crystal growth study of L-ascorbic acid.

PubMed

Kumar, Krishan; Kumar, Virender; Lal, Jatin; Kaur, Harmeet; Singh, Jasbir

2017-06-01

This work was destined for 2D crystal growth studies of L-ascorbic acid using the composite image analysis technique. Growth experiments on the L-ascorbic acid crystals were carried out by standard (optical) microscopy, laser diffraction analysis, and composite image analysis. For image analysis, the growth of L-ascorbic acid crystals was captured as digital 2D RGB images, which were then processed to composite images. After processing, the crystal boundaries emerged as white lines against the black (cancelled) background. The crystal boundaries were well differentiated by peaks in the intensity graphs generated for the composite images. The lengths of crystal boundaries measured from the intensity graphs of composite images were in good agreement (correlation coefficient "r" = 0.99) with the lengths measured by standard microscopy. On the contrary, the lengths measured by laser diffraction were poorly correlated with both techniques. Therefore, the composite image analysis can replace the standard microscopy technique for the crystal growth studies of L-ascorbic acid. © 2017 Wiley Periodicals, Inc.

Carboxylic acids in crystallization of macromolecules: learning from successful crystallization experiments.

PubMed

Offermann, Lesa R; He, John Z; Mank, Nicholas J; Booth, William T; Chruszcz, Maksymilian

2014-03-01

The production of macromolecular crystals suitable for structural analysis is one of the most important and limiting steps in the structure determination process. Often, preliminary crystallization trials are performed using hundreds of empirically selected conditions. Carboxylic acids and/or their salts are one of the most popular components of these empirically derived crystallization conditions. Our findings indicate that almost 40 % of entries deposited to the Protein Data Bank (PDB) reporting crystallization conditions contain at least one carboxylic acid. In order to analyze the role of carboxylic acids in macromolecular crystallization, a large-scale analysis of the successful crystallization experiments reported to the PDB was performed. The PDB is currently the largest source of crystallization data, however it is not easily searchable. These complications are due to a combination of a free text format, which is used to capture information on the crystallization experiments, and the inconsistent naming of chemicals used in crystallization experiments. Despite these difficulties, our approach allows for the extraction of over 47,000 crystallization conditions from the PDB. Initially, the selected conditions were investigated to determine which carboxylic acids or their salts are most often present in crystallization solutions. From this group, selected sets of crystallization conditions were analyzed in detail, assessing parameters such as concentration, pH, and precipitant used. Our findings will lead to the design of new crystallization screens focused around carboxylic acids.

Highly selective detection of single-nucleotide polymorphisms using a quartz crystal microbalance biosensor based on the toehold-mediated strand displacement reaction.

PubMed

Wang, Dingzhong; Tang, Wei; Wu, Xiaojie; Wang, Xinyi; Chen, Gengjia; Chen, Qiang; Li, Na; Liu, Feng

2012-08-21

Toehold-mediated strand displacement reaction (SDR) is first introduced to develop a simple quartz crystal microbalance (QCM) biosensor without an enzyme or label at normal temperature for highly selective and sensitive detection of single-nucleotide polymorphism (SNP) in the p53 tumor suppressor gene. A hairpin capture probe with an external toehold is designed and immobilized on the gold electrode surface of QCM. A successive SDR is initiated by the target sequence hybridization with the toehold domain and ends with the unfolding of the capture probe. Finally, the open-loop capture probe hybridizes with the streptavidin-coupled reporter probe as an efficient mass amplifier to enhance the QCM signal. The proposed biosensor displays remarkable specificity to target the p53 gene fragment against single-base mutant sequences (e.g., the largest discrimination factor is 63 to C-C mismatch) and high sensitivity with the detection limit of 0.3 nM at 20 °C. As the crucial component of the fabricated biosensor for providing the high discrimination capability, the design rationale of the capture probe is further verified by fluorescence sensing and atomic force microscopy imaging. Additionally, a recovery of 84.1% is obtained when detecting the target sequence in spiked HeLa cells lysate, demonstrating the feasibility of employing this biosensor in detecting SNPs in biological samples.

Symmetry breaking in smectics and surface models of their singularities

PubMed Central

Chen, Bryan Gin-ge; Alexander, Gareth P.; Kamien, Randall D.

2009-01-01

The homotopy theory of topological defects in ordered media fails to completely characterize systems with broken translational symmetry. We argue that the problem can be understood in terms of the lack of rotational Goldstone modes in such systems and provide an alternate approach that correctly accounts for the interaction between translations and rotations. Dislocations are associated, as usual, with branch points in a phase field, whereas disclinations arise as critical points and singularities in the phase field. We introduce a three-dimensional model for two-dimensional smectics that clarifies the topology of disclinations and geometrically captures known results without the need to add compatibility conditions. Our work suggests natural generalizations of the two-dimensional smectic theory to higher dimensions and to crystals. PMID:19717435

Enhancing the detector for advanced neutron capture experiments

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

Couture, A.; Mosby, S.; Baramsai, B.

2015-05-28

The Detector for Advanced Neutron Capture Experiments (DANCE) has been used for extensive studies of neutron capture, gamma decay, photon strength functions, and prompt and delayed fission-gamma emission. Despite these successes, the potential measurements have been limited by the data acquisition hardware. We, thus, report on a major upgrade of the DANCE data acquisition that simultaneously enables strait-forward coupling to auxiliary detectors, including high-resolution high-purity germanium detectors and neutron tagging array. Furthermore, the upgrade will enhance the time domain accessible for time-of-flight neutron measurements as well as improve the resolution in the DANCE barium fluoride crystals for photons.

Granular encapsulation of light hydrophobic liquids (LHL) in LHL-salt water systems: Particle induced densification with quartz sand.

PubMed

Boglaienko, Daria; Tansel, Berrin; Sukop, Michael C

2016-02-01

Addition of granular materials to floating crude oil slicks can be effective in capturing and densifying the floating hydrophobic phase, which settles by gravity. Interaction of light hydrophobic liquids (LHL) with quartz sand was investigated in LHL-salt water systems. The LHLs studied were decane, tetradecane, hexadecane, benzene, toluene, ethylbenzene, m-xylene, and 2-cholorotoluene. Experiments were conducted with fine quartz sand (passing sieve No. 40 with openings 0.425 mm). Each LHL was dyed with few crystals of Sudan IV dye for ease of visual observation. A volume of 0.5 mL of each LHL was added to 100 mL salt water (34 g/L). Addition of one gram of quartz sand to the floating hydrophobic liquid layer resulted in formation of sand-encapsulated globules, which settled due to increased density. All LHLs (except for a few globules of decane) formed globules covered with fine sand particles that were heavy enough to settle by gravity. The encapsulated globules were stable and retained their shape upon settling. Polarity of hydrophobic liquids as the main factor of aggregation with minerals was found to be insufficient to explain LHL aggregation with sand. Contact angle measurements were made by submerging a large quartz crystal with the LHL drop on its surface into salt water. A positive correlation was observed between the wetting angle of LHL and the LHL volume captured (r = 0.75). The dependence of the globule density on globule radius was analyzed in relation to the coverage (%) of globule surface (LHL-salt water interface) by fine quartz particles. Copyright © 2015 Elsevier Ltd. All rights reserved.

Performance of target detection algorithm in compressive sensing miniature ultraspectral imaging compressed sensing system

NASA Astrophysics Data System (ADS)

Gedalin, Daniel; Oiknine, Yaniv; August, Isaac; Blumberg, Dan G.; Rotman, Stanley R.; Stern, Adrian

2017-04-01

Compressive sensing theory was proposed to deal with the high quantity of measurements demanded by traditional hyperspectral systems. Recently, a compressive spectral imaging technique dubbed compressive sensing miniature ultraspectral imaging (CS-MUSI) was presented. This system uses a voltage controlled liquid crystal device to create multiplexed hyperspectral cubes. We evaluate the utility of the data captured using the CS-MUSI system for the task of target detection. Specifically, we compare the performance of the matched filter target detection algorithm in traditional hyperspectral systems and in CS-MUSI multiplexed hyperspectral cubes. We found that the target detection algorithm performs similarly in both cases, despite the fact that the CS-MUSI data is up to an order of magnitude less than that in conventional hyperspectral cubes. Moreover, the target detection is approximately an order of magnitude faster in CS-MUSI data.

Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.

PubMed

Horrell, Sam; Kekilli, Demet; Sen, Kakali; Owen, Robin L; Dworkowski, Florian S N; Antonyuk, Svetlana V; Keal, Thomas W; Yong, Chin W; Eady, Robert R; Hasnain, S Samar; Strange, Richard W; Hough, Michael A

2018-05-01

High-resolution crystal structures of enzymes in relevant redox states have transformed our understanding of enzyme catalysis. Recent developments have demonstrated that X-rays can be used, via the generation of solvated electrons, to drive reactions in crystals at cryogenic temperatures (100 K) to generate 'structural movies' of enzyme reactions. However, a serious limitation at these temperatures is that protein conformational motion can be significantly supressed. Here, the recently developed MSOX (multiple serial structures from one crystal) approach has been applied to nitrite-bound copper nitrite reductase at room temperature and at 190 K, close to the glass transition. During both series of multiple structures, nitrite was initially observed in a 'top-hat' geometry, which was rapidly transformed to a 'side-on' configuration before conversion to side-on NO, followed by dissociation of NO and substitution by water to reform the resting state. Density functional theory calculations indicate that the top-hat orientation corresponds to the oxidized type 2 copper site, while the side-on orientation is consistent with the reduced state. It is demonstrated that substrate-to-product conversion within the crystal occurs at a lower radiation dose at 190 K, allowing more of the enzyme catalytic cycle to be captured at high resolution than in the previous 100 K experiment. At room temperature the reaction was very rapid, but it remained possible to generate and characterize several structural states. These experiments open up the possibility of obtaining MSOX structural movies at multiple temperatures (MSOX-VT), providing an unparallelled level of structural information during catalysis for redox enzymes.

Magmatic structures in the Krkonoše Jizera Plutonic Complex, Bohemian Massif: evidence for localized multiphase flow and small-scale thermal mechanical instabilities in a granitic magma chamber

NASA Astrophysics Data System (ADS)

Žák, Jiří; Klomínský, Josef

2007-08-01

The present paper examines magmatic structures in the Jizera and Liberec granites of the Krkonoše-Jizera Plutonic Complex, Bohemian Massif. The magmatic structures are here interpreted to preserve direct field evidence for highly localized magma flow and other processes in crystal-rich mushes, and to capture the evolution of physical processes in an ancient granitic magma chamber. We propose that after chamber-wide mixing and hybridization, as suggested by recent petrological studies, laminar magma flow became highly localized to weaker channel-like domains within the higher-strength crystal framework. Mafic schlieren formed at flow rims, and their formation presumably involved gravitational settling and velocity gradient flow sorting coupled with interstitial melt escape. Local thermal or compositional convection may have resulted in the formation of vertical schlieren tubes and ladder dikes whereas subhorizontal tubes or channels formed during flow driven by lateral gradients in magma pressure. After the cessation or deceleration of channel flow, gravity-driven processes (settling of crystals and enclaves, gravitational differentiation, development of downward dripping instabilities), accompanied by compaction, filter pressing and melt segregation, dominated in the crystal mush within the flow channels. Subsequently, magmatic folds developed in schlieren layers and the magma chamber recorded complex, late magmatic strains at high magma crystallinities. Late-stage magma pulsing into localized submagmatic cracks represents the latest events of magmatic history of the chamber prior to its final crystallization. We emphasize that the most favorable environments for the formation and preservation of magmatic structures, such as those hosted in the Jizera and Liberec granites, are slowly cooling crystal-rich mushes. Therefore, where preserved in plutons, these structures may lend strong support for a "mush model" of magmatic systems.

A framework for multi-scale simulation of crystal growth in the presence of polymers.

PubMed

Mandal, Taraknath; Huang, Wenjun; Mecca, Jodi M; Getchell, Ashley; Porter, William W; Larson, Ronald G

2017-03-01

We present a multi-scale simulation method for modeling crystal growth in the presence of polymer excipients. The method includes a coarse-grained (CG) model for small molecules of known crystal structure whose force field is obtained using structural properties from atomistic simulations. This CG model is capable of stabilizing the molecular crystal structure and capturing the crystal growth from the melt for a wide range of small organic molecules, as demonstrated by application of our method to the molecules isoniazid, urea, sulfamethoxazole, prilocaine, oxcarbazepine, and phenytoin. This CG model can also be used to study the effect of additives, such as polymers, on the inhibition of crystal growth by polymers, as exemplified by our simulation of suppression of the rate of crystal growth of phenytoin, an active pharmaceutical ingredient (API), by a cellulose excipient, functionalized with acetate (Ac), hydroxy-propyl (Hp) and succinate (Su) groups. We show that the efficacy of the cellulosic polymers in slowing crystal growth of small molecules strongly depends on the functional group substitution on the cellulose backbone, with the acetate substituent group slowing crystal growth more than does the deprotonated succinate group, which we confirm by experimental drug supersaturation studies.

A photonic crystal hydrogel suspension array for the capture of blood cells from whole blood

NASA Astrophysics Data System (ADS)

Zhang, Bin; Cai, Yunlang; Shang, Luoran; Wang, Huan; Cheng, Yao; Rong, Fei; Gu, Zhongze; Zhao, Yuanjin

2016-02-01

Diagnosing hematological disorders based on the separation and detection of cells in the patient's blood is a significant challenge. We have developed a novel barcode particle-based suspension array that can simultaneously capture and detect multiple types of blood cells. The barcode particles are polyacrylamide (PAAm) hydrogel inverse opal microcarriers with characteristic reflection peak codes that remain stable during cell capture on their surfaces. The hydrophilic PAAm hydrogel scaffolds of the barcode particles can entrap various plasma proteins to capture different cells in the blood, with little damage to captured cells.Diagnosing hematological disorders based on the separation and detection of cells in the patient's blood is a significant challenge. We have developed a novel barcode particle-based suspension array that can simultaneously capture and detect multiple types of blood cells. The barcode particles are polyacrylamide (PAAm) hydrogel inverse opal microcarriers with characteristic reflection peak codes that remain stable during cell capture on their surfaces. The hydrophilic PAAm hydrogel scaffolds of the barcode particles can entrap various plasma proteins to capture different cells in the blood, with little damage to captured cells. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06368j

A Temperature‐Responsive Smart Europium Metal‐Organic Framework Switch for Reversible Capture and Release of Intrinsic Eu3+ Ions

PubMed Central

Zhu, Min; Song, Xue‐Zhi; Zhao, Shu‐Na; Meng, Xing; Wu, Lan‐Lan; Wang, Cheng

2015-01-01

Stimuli‐responsive structural transformations are emerging as a scaffold to develop a charming class of smart materials. A EuL metal‐organic framework (MOF) undergoes a reversible temperature‐stimulated single‐crystal to single‐crystal transformation, showing a specific behavior of fast capture/release of free Eu3+ in the channels at low and room temperatures. At room temperature, compound 1a is obtained with one free carboxylate group severing as further hook, featuring one‐dimensional square channels filled with intrinsic free europium ions. Trigged by lowering the ambient temperature, 1b is gained. In 1b, the intrinsic free europium ions can be fast captured by the carboxylate‐hooks anchored in the framework, resulting in the structural change and its channel distortion. To the best of our knowledge, this is the first report of such a rapid and reversible switch stemming from dynamic control between noncovalent and covalent Eu–ligand interactions. Utilizing EuL MOF to detect highly explosive 2,4,6‐trinitrophenol at room temperature and low temperature provides a glimpse into the potential of this material in fluorescence sensors. PMID:27980931

Biocatalytic CO2 sequestration based on shell regeneration

NASA Astrophysics Data System (ADS)

Lee, S.

2012-04-01

Carbon dioxide, CO2, is one of the green gases, being uniformly distributed over the earth's surface. Recently, a variety of methods exists or has been proposed for pre- or post-emission capture and sequestration of CO2. However, CCS (carbon capture & storage) do not quarntee permanent treatment of CO2 and could ingenerate environment risks. Some organisms convert CO2 into exoskeleton (e.g., mollusks) or energy sources (e.g., plants) during metabolism under atmospheric conditions. One of representative biomaterials in ocean is bivalve shell to be composed of CaCO3. Calcium carbonate is not only abundant material in the world but also thermodynamically stable mineral in the capture of CO2. Bivalve has produced CaCO3 under seawater condition, in other word, near atmospheric conditions (1 atm. and around 20-25 oC). At the inorganic point, the synthesis of CaCO3 is as followed. Ca2+ + CO32- -> CaCO3 The bivalve shell plays an important role to protect bivalve's internal organs from prodetor. What will be happened if the shell is damaged and a hole is made? Bivalve must cover the hole to prevent the oxidation of internal organs as fast as possible. From in vitro crystallization test of a notched shell, rapid CaCO3 production was identified at the damaged area. The biocatalyst related to shell regeneration was purified and named as SPSR (Soluble Protein related to Shell Regeneration) that is obtained from the oyster, Crassostrea gigas. And in vitro CaCO3 crystallization test was used to calculate the crystal growth rate of SPSR on CaCO3 crystallization. The characteristics of SPRR are discussed at the point of CO2 hydration and rapid CaCO3 synthesis. To develop the bioinspired process based on shell regeneration concept, the analysis of protein structure has been studied and the immobilization has been carried out for easy recovery of SPSR.

An evaluation of adhesive sample holders for advanced crystallographic experiments

PubMed Central

Mazzorana, Marco; Sanchez-Weatherby, Juan; Sandy, James; Lobley, Carina M. C.; Sorensen, Thomas

2014-01-01

The hydration state of macromolecular crystals often affects their overall order and, ultimately, the quality of the X-ray diffraction pattern that they produce. Post-crystallization techniques that alter the solvent content of a crystal may induce rearrangement within the three-dimensional array making up the crystal, possibly resulting in more ordered packing. The hydration state of a crystal can be manipulated by exposing it to a stream of air at controlled relative humidity in which the crystal can equilibrate. This approach provides a way of exploring crystal hydration space to assess the diffraction capabilities of existing crystals. A key requirement of these experiments is to expose the crystal directly to the dehydrating environment by having the minimum amount of residual mother liquor around it. This is usually achieved by placing the crystal on a flat porous support (Kapton mesh) and removing excess liquid by wicking. Here, an alternative approach is considered whereby crystals are harvested using adhesives that capture naked crystals directly from their crystallization drop, reducing the process to a one-step procedure. The impact of using adhesives to ease the harvesting of different types of crystals is presented together with their contribution to background scattering and their usefulness in dehydration experiments. It is concluded that adhesive supports represent a valuable tool for mounting macromolecular crystals to be used in humidity-controlled experiments and to improve signal-to-noise ratios in diffraction experiments, and how they can protect crystals from modifications in the sample environment is discussed. PMID:25195752

DISPOSITION OF THE INNER RADIATION BELT AND MAGNETIC FIELD OF THE EARTH

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

GORCHAKOV, IE. V.

1963-02-01

A scintillation counter on Sputnik III was used to conduct ionization measurement in a sodium iodide crystal and register the number of events releasing more than 35 kev in the crystal. The boundary of the inner radiation belt shows a strong longitudinal effect. The observed dependence on longitude of the boundary was explained by the fact that the inner belt consists of particles captured by the geomagnetic field and constitutes a noncentral dipole field. (C.E.S.)

Comparison of Phase Field Crystal and Molecular Dynamics Simulations for a Shrinking Grain

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

Radhakrishnan, Balasubramaniam; Gorti, Sarma B; Nicholson, Don M

2012-01-01

The Phase-Field Crystal (PFC) model represents the atomic density as a continuous function, whose spatial distribution evolves at diffusional, rather than vibrational time scales. PFC provides a tool to study defect interactions at the atomistic level but over longer time scales than in molecular dynamics (MD). We examine the behavior of the PFC model with the goal of relating the PFC parameters to physical parameters of real systems, derived from MD simulations. For this purpose we model the phenomenon of the shrinking of a spherical grain situated in a matrix. By comparing the rate of shrinking of the central grainmore » using MD and PFC we obtain a relationship between PFC and MD time scales for processes driven by grain boundary diffusion. The morphological changes in the central grain including grain shape and grain rotation are also examined in order to assess the accuracy of the PFC in capturing the evolution path predicted by MD.« less

Design of activated serine-containing catalytic triads with atomic level accuracy

PubMed Central

Rajagopalan, Sridharan; Wang, Chu; Yu, Kai; Kuzin, Alexandre P.; Richter, Florian; Lew, Scott; Miklos, Aleksandr E.; Matthews, Megan L.; Seetharaman, Jayaraman; Su, Min; Hunt, John. F.; Cravatt, Benjamin F.; Baker, David

2014-01-01

A challenge in the computational design of enzymes is that multiple properties must be simultaneously optimized -- substrate-binding, transition state stabilization, and product release -- and this has limited the absolute activity of successful designs. Here, we focus on a single critical property of many enzymes: the nucleophilicity of an active site residue that initiates catalysis. We design proteins with idealized serine-containing catalytic triads, and assess their nucleophilicity directly in native biological systems using activity-based organophosphate probes. Crystal structures of the most successful designs show unprecedented agreement with computational models, including extensive hydrogen bonding networks between the catalytic triad (or quartet) residues, and mutagenesis experiments demonstrate that these networks are critical for serine activation and organophosphate-reactivity. Following optimization by yeast-display, the designs react with organophosphate probes at rates comparable to natural serine hydrolases. Co-crystal structures with diisopropyl fluorophosphate bound to the serine nucleophile suggest the designs could provide the basis for a new class of organophosphate captures agents. PMID:24705591

A detailed investigation of the strain hardening response of aluminum alloyed Hadfield steel

NASA Astrophysics Data System (ADS)

Canadinc, Demircan

The unusual strain hardening response exhibited by Hadfield steel single and polycrystals under tensile loading was investigated. Hadfield steel, which deforms plastically through the competing mechanisms slip and twinning, was alloyed with aluminum in order to suppress twinning and study the role of slip only. To avoid complications due to a grained structure, only single crystals of the aluminum alloyed Hadfield steel were considered at the initial stage of the current study. As a result of alloying with aluminum, twinning was suppressed; however a significant increase in the strain hardening response was also present. A detailed microstructural analysis showed the presence of high-density dislocation walls that evolve in volume fraction due to plastic deformation and interaction with slip systems. The very high strain hardening rates exhibited by the aluminum alloyed Hadfield steel single crystals was attributed to the blockage of glide dislocations by the high-density dislocation walls. A crystal plasticity model was proposed, that accounts for the volume fraction evolution and rotation of the dense dislocation walls, as well as their interaction with the active slip systems. The novelty of the model lies in the simplicity of the constitutive equations that define the strain hardening, and the fact that it is based on experimental data regarding the microstructure. The success of the model was tested by its application to different crystallographic orientations, and finally the polycrystals of the aluminum alloyed Hadfield steel. Meanwhile, the capability of the model to predict texture was also observed through the rotation of the loading axis in single crystals. The ability of the model to capture the polycrystalline deformation response provides a venue for its utilization in other alloys that exhibit dislocation sheet structures.

A Photomicrography Primer.

ERIC Educational Resources Information Center

Davidson, Michael W.

1991-01-01

Describes techniques and equipment which allows school microscopes to perform crossed-polarized light microscopy, reflected light microscopy, and photomicrography. Provides information on using chemicals from a high school stockroom to view crystals, viewing integrated circuits, and capturing images on film. Lists possible independent student…

Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein

DOE PAGES

Tenboer, Jason; Basu, Shibom; Zatsepin, Nadia; ...

2014-12-05

We report that serial femtosecond crystallography using ultrashort pulses from X-ray Free Electron Lasers (XFELs) offers the possibility to study light-triggered dynamics of biomolecules. Using microcrystals of the blue light photoreceptor, photoactive yellow protein, as a model system, we present high resolution, time-resolved difference electron density maps of excellent quality with strong features, which allow the determination of structures of reaction intermediates to 1.6 Å resolution. These results open the way to the study of reversible and non-reversible biological reactions on time scales as short as femtoseconds under conditions which maximize the extent of reaction initiation throughout the crystal.

Modeling slip system strength evolution in Ti-7Al informed by in-situ grain stress measurements

DOE PAGES

Pagan, Darren C.; Shade, Paul A; Barton, Nathan R.; ...

2017-02-17

Far-field high-energy X-ray diffraction microscopy is used to asses the evolution of slip system strengths in hexagonal close-packed (HCP) Ti-7A1 during tensile deformation in-situ. The following HCP slip system families are considered: basal < a >, prismatic < a >, pyramidal < a >, and first-order pyramidal < c + a >. A 1 mm length of the specimen's gauge section, marked with fiducials and comprised of an aggregate of over 500 grains, is tracked during continuous deformation. The response of each slip system family is quantified using 'slip system strength curves' that are calculated from the average stress tensorsmore » of each grain over the applied deformation history. These curves, which plot the average resolved shear stress for each slip system family versus macroscopic strain, represent a mesoscopic characterization of the aggregate response. A short time-scale transient softening is observed in the basal < a >, prismatic < a >, and pyramidal < a > slip systems, while a long time-scale transient hardening is observed in the pyramidal < c + a > slip systems. These results are used to develop a slip system strength model as part of an elasto-viscoplastic constitutive model for the single crystal behavior. A suite of finite element simulations is performed on a virtual polycrystal to demonstrate the relative effects of the different parameters in the slip system strength model. Finally, the model is shown to accurately capture the macroscopic stress-strain response using parameters that are chosen to capture the mesoscopic slip system responses.« less

Towards an avatar for deciphering the modes of three-phase interactions in lava lakes

NASA Astrophysics Data System (ADS)

Suckale, J.; Qin, Z.; Culha, C.; Lev, E.

2016-12-01

An avatar is the virtual representation of a character, system or idea. Here, we present progress towards building a numerical avatar for lava lakes that allows us to constrain the modes of multiphase interactions between crystals, gas, and magmatic fluid in the interior of lava lakes. We focus on lava lakes, because they expose the free surface of magma to direct observations. They hence offer a unique window into different regimes of the three-phase flow dynamics of crystals, gases, and melts in magmatic convection more generally. The multiphase interactions between crystals, gases and melt give rise to nonlinear and unstable behavior in magmatic systems and are hence key for understanding the behavior of the bulk magma, but are notoriously difficult to capture in numerical models. Our avatar approach solves the full set of governing equations entailing the momentum, mass, and energy balance for each of the three phases at the scale of individual crystals or bubble interfaces. It hence obviates the need for simplifying assumptions regarding the individual behavior of the three phases or their mutual coupling to achieve a minimally preconditioned virtual representation of a lava lake. To identify the multi-phase regime at depth, we compute the observational signatures of different multiphase regimes, both in terms of surface velocity and temperature distribution, and compare the computed synthetic data to observational surface data for lava lakes. We focus specifically on the lava lake dynamics at Mount Erebus, Antarctica, and Kīlauea, Hawai'i. These two lava lakes are particularly well observed, which presents a compelling opportunity for closely linking modeling and observations. The also exhibit notably different circulation patterns. We hypothesize that Erebus and Kīlauea highlight different mechanisms through which multiphase interactions alter magmatic convection and eruptive behavior in basaltic systems. We suggest that volumetric flow effects like bubble dynamics and spatially heterogeneous crystal retention may dominate the behavior at Erebus and that surface effects resulting primarily from the formation of a cool skin on top of the lake govern the dynamics observed at Kīlauea.

Propellant Flow Actuated Piezoelectric Igniter for Combustion Engines

NASA Technical Reports Server (NTRS)

Wollen, Mark A. (Inventor)

2015-01-01

A propellant flow actuated piezoelectric igniter device using one or more hammer balls retained by one or more magnets, or other retaining method, until sufficient fluid pressure is achieved to release and accelerate the hammer ball, such that it impacts a piezoelectric crystal to produce an ignition spark. Certain preferred embodiments provide a means for repetitively capturing and releasing the hammer ball after it impacts one or more piezoelectric crystals, thereby oscillating and producing multiple, repetitive ignition sparks. Furthermore, an embodiment is presented for which oscillation of the hammer ball and repetitive impact to the piezoelectric crystal is maintained without the need for a magnet or other retaining mechanism to achieve this oscillating impact process.

Neutron Transmission of Single-crystal Sapphire Filters

NASA Astrophysics Data System (ADS)

Adib, M.; Kilany, M.; Habib, N.; Fathallah, M.

2005-05-01

An additive formula is given that permits the calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-sections as a function of sapphire temperature and crystal parameters. We have developed a computer program that allows calculations of the thermal neutron transmission for the sapphire rhombohedral structure and its equivalent trigonal structure. The calculated total cross-section values and effective attenuation coefficient for single-crystalline sapphire at different temperatures are compared with measured values. Overall agreement is indicated between the formula and experimental data. We discuss the use of sapphire single crystal as a thermal neutron filter in terms of the optimum cystal thickness, mosaic spread, temperature, cutting plane and tuning for efficient transmission of thermal-reactor neutrons.

Workman-Reynolds freezing potential measurements between ice and dilute salt solutions for single ice crystal faces.

PubMed

Wilson, P W; Haymet, A D J

2008-09-18

Workman-Reynolds freezing potentials have been measured for the first time across the interface between single crystals of ice 1h and dilute electrolyte solutions. The measured electric potential is a strictly nonequilibrium phenomenon and a function of the concentration of salt, freezing rate, orientation of the ice crystal, and time. When all these factors are controlled, the voltage is reproducible to the extent expected with ice growth experiments. Zero voltage is obtained with no growth or melting. For rapidly grown ice 1h basal plane in contact with a solution of 10 (-4) M NaCl the maximum voltage exceeds 30 V and decreases to zero at both high and low salt concentrations. These single-crystal experiments explain much of the data captured on this remarkable phenomenon since 1948.

Biomedical health assessments of the Florida manatee in Crystal River - providing opportunities for training during the capture, handling, and processing of this endangered aquatic mammal

USGS Publications Warehouse

Bonde, Robert K.; Garrett, Andrew; Belanger, Michael; Askin, Nesime; Tan, Luke; Wittnich, Carin

2012-01-01

Federal and state researchers have been involved in manatee (Trichechus manatus) biomedical health assessment programs for a couple of decades. These benchmark studies have provided a foundation for the development of consistent capture, handling, and processing techniques and protocols. Biologists have implemented training and encouraged multi-agency participation whenever possible to ensure reliable data acquisition, recording, sample collection, publication integrity, and meeting rigorous archival standards. Under a U.S. Fish and Wildlife Service wildlife research permit granted to the U.S. Geological Survey (USGS) Sirenia Project, federal biologists and collaborators are allowed to conduct research studies on wild and captive manatees detailing various aspects of their biology. Therefore, researchers with the project have been collaborating on numerous studies over the last several years. One extensive study, initiated in 2006 has focused on health and fitness of the winter manatee population located in Crystal River, Florida. During those health assessments, capture, handling, and work-up training has been afforded to many of the participants. That study has successfully captured and handled 123 manatees. The data gathered have provided baseline information on manatee health, reproductive status, and nutritional condition. This research initiative addresses concerns and priorities outlined in the Florida Manatee Recovery Plan. The assessment teams strive to continue this collaborative effort to help advance our understanding of health-related issues confronting manatees throughout their range and interlacing these findings with surrogate species concepts.

Sm-Nd systematics of lunar ferroan anorthositic suite rocks: Constraints on lunar crust formation

NASA Astrophysics Data System (ADS)

Boyet, Maud; Carlson, Richard W.; Borg, Lars E.; Horan, Mary

2015-01-01

We have measured Sm-Nd systematics, including the short-lived 146Sm-142Nd chronometer, in lunar ferroan anorthositic suite (FAS) whole rocks (15415, 62236, 62255, 65315, 60025). At least some members of the suite are thought to be primary crystallization products formed by plagioclase flotation during crystallization of the lunar magma ocean (LMO). Most of these samples, except 62236, have not been exposed to galactic cosmic rays for a long period and thus require minimal correction to their 142Nd isotope composition. These samples all have measured deficits in 142Nd relative to the JNdi-1 terrestrial standard in the range -45 to -21 ppm. The range is -45 to -15 ppm once the 62236 142Nd/144Nd ratio is corrected from neutron-capture effects. Analyzed FAS samples do not define a single isochron in either 146Sm-142Nd or 147Sm-143Nd systematics, suggesting that they either do not have the same crystallization age, come from different sources, or have suffered isotopic disturbance. Because the age is not known for some samples, we explore the implications of their initial isotopic compositions for crystallization ages in the first 400 Ma of solar system history, a timing interval that covers all the ages determined for the ferroan anorthositic suite whole rocks as well as different estimates for the crystallization of the LMO. 62255 has the largest deficit in initial 142Nd and does not appear to have followed the same differentiation path as the other FAS samples. The large deficit in 142Nd of FAN 62255 may suggest a crystallization age around 60-125 Ma after the beginning of solar system accretion. This result provides essential information about the age of the giant impact forming the Moon. The initial Nd isotopic compositions of FAS samples can be matched either with a bulk-Moon with chondritic Sm/Nd ratio but enstatite-chondrite-like initial 142Nd/144Nd (e.g. 10 ppm below modern terrestrial), or a bulk-Moon with superchondritic Sm/Nd ratio and initial 142Nd/144Nd similar to ordinary chondrites.

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

Boyet, Maud; Carlson, Richard W.; Borg, Lars E.

Here, we have measured Sm–Nd systematics, including the short-lived 146Sm– 142Nd chronometer, in lunar ferroan anorthositic suite (FAS) whole rocks (15415, 62236, 62255, 65315, 60025). At least some members of the suite are thought to be primary crystallization products formed by plagioclase flotation during crystallization of the lunar magma ocean (LMO). Most of these samples, except 62236, have not been exposed to galactic cosmic rays for a long period and thus require minimal correction to their 142Nd isotope composition. These samples all have measured deficits in 142Nd relative to the JNdi-1 terrestrial standard in the range –45 to –21 ppm.more » The range is –45 to –15 ppm once the 62236 142Nd/ 144Nd ratio is corrected from neutron-capture effects. Analyzed FAS samples do not define a single isochron in either 146Sm– 142Nd or 147Sm– 143Nd systematics, suggesting that they either do not have the same crystallization age, come from different sources, or have suffered isotopic disturbance. Because the age is not known for some samples, we explore the implications of their initial isotopic compositions for crystallization ages in the first 400 Ma of solar system history, a timing interval that covers all the ages determined for the ferroan anorthositic suite whole rocks as well as different estimates for the crystallization of the LMO. 62255 has the largest deficit in initial 142Nd and does not appear to have followed the same differentiation path as the other FAS samples. The large deficit in 142Nd of FAN 62255 may suggest a crystallization age around 60–125 Ma after the beginning of solar system accretion. This result provides essential information about the age of the giant impact forming the Moon. The initial Nd isotopic compositions of FAS samples can be matched either with a bulk-Moon with chondritic Sm/Nd ratio but enstatite-chondrite-like initial 142Nd/ 144Nd (e.g. 10 ppm below modern terrestrial), or a bulk-Moon with superchondritic Sm/Nd ratio and initial 142Nd/ 144Nd similar to ordinary chondrites.« less

Sm-Nd systematics of lunar ferroan anorthositic suite rocks: Constraints on lunar crust

DOE PAGES

Boyet, Maud; Carlson, Richard W.; Borg, Lars E.; ...

2014-09-28

Here, we have measured Sm–Nd systematics, including the short-lived 146Sm– 142Nd chronometer, in lunar ferroan anorthositic suite (FAS) whole rocks (15415, 62236, 62255, 65315, 60025). At least some members of the suite are thought to be primary crystallization products formed by plagioclase flotation during crystallization of the lunar magma ocean (LMO). Most of these samples, except 62236, have not been exposed to galactic cosmic rays for a long period and thus require minimal correction to their 142Nd isotope composition. These samples all have measured deficits in 142Nd relative to the JNdi-1 terrestrial standard in the range –45 to –21 ppm.more » The range is –45 to –15 ppm once the 62236 142Nd/ 144Nd ratio is corrected from neutron-capture effects. Analyzed FAS samples do not define a single isochron in either 146Sm– 142Nd or 147Sm– 143Nd systematics, suggesting that they either do not have the same crystallization age, come from different sources, or have suffered isotopic disturbance. Because the age is not known for some samples, we explore the implications of their initial isotopic compositions for crystallization ages in the first 400 Ma of solar system history, a timing interval that covers all the ages determined for the ferroan anorthositic suite whole rocks as well as different estimates for the crystallization of the LMO. 62255 has the largest deficit in initial 142Nd and does not appear to have followed the same differentiation path as the other FAS samples. The large deficit in 142Nd of FAN 62255 may suggest a crystallization age around 60–125 Ma after the beginning of solar system accretion. This result provides essential information about the age of the giant impact forming the Moon. The initial Nd isotopic compositions of FAS samples can be matched either with a bulk-Moon with chondritic Sm/Nd ratio but enstatite-chondrite-like initial 142Nd/ 144Nd (e.g. 10 ppm below modern terrestrial), or a bulk-Moon with superchondritic Sm/Nd ratio and initial 142Nd/ 144Nd similar to ordinary chondrites.« less

Nonlinear coupled mode approach for modeling counterpropagating solitons in the presence of disorder-induced multiple scattering in photonic crystal waveguides

NASA Astrophysics Data System (ADS)

Mann, Nishan; Hughes, Stephen

2018-02-01

We present the analytical and numerical details behind our recently published article [Phys. Rev. Lett. 118, 253901 (2017), 10.1103/PhysRevLett.118.253901], describing the impact of disorder-induced multiple scattering on counterpropagating solitons in photonic crystal waveguides. Unlike current nonlinear approaches using the coupled mode formalism, we account for the effects of intraunit cell multiple scattering. To solve the resulting system of coupled semilinear partial differential equations, we introduce a modified Crank-Nicolson-type norm-preserving implicit finite difference scheme inspired by the transfer matrix method. We provide estimates of the numerical dispersion characteristics of our scheme so that optimal step sizes can be chosen to either minimize numerical dispersion or to mimic the exact dispersion. We then show numerical results of a fundamental soliton propagating in the presence of multiple scattering to demonstrate that choosing a subunit cell spatial step size is critical in accurately capturing the effects of multiple scattering, and illustrate the stochastic nature of disorder by simulating soliton propagation in various instances of disordered photonic crystal waveguides. Our approach is easily extended to include a wide range of optical nonlinearities and is applicable to various photonic nanostructures where power propagation is bidirectional, either by choice, or as a result of multiple scattering.

Self-powered heat-resistant polymeric 1D nanowires and 3D micro/nanowire assemblies in a pressure-crystallized size-distributed graphene oxide/poly (vinylidene fluoride) composite

NASA Astrophysics Data System (ADS)

Tian, Pengfei; Lyu, Jun; Huang, Rui; Zhang, Chaoliang

2017-12-01

Piezoelectric one- (1D) and three-dimensional (3D) hybrid micro/nanostructured materials have received intense research interest because of their ability in capturing trace amounts of energy and transforming it into electrical energy. In this work, a size-distributed graphene oxide (GO) was utilized for the concurrent growth of both the 1D nanowires and 3D micro/nanowire architectures of poly (vinylidene fluoride) (PVDF) with piezoelectricity. The in situ formation of the polymeric micro/nanostructures, with crystalline beta phase, was achieved by the high-pressure crystallization of a well dispersed GO/PVDF composite, fabricated by an environmentally friendly physical approach. Particularly, by controlling the crystallization conditions of the binary composite at high pressure, the melting point of the polymeric micro/nanowires, which further constructed the 3D micro/nanoarchitectures, was nearly 30°C higher than that of the original PVDF. The large scale simultaneous formation of the 1D and 3D micro/nanostructures was attributed to a size-dependent catalysis of the GOs in the pressure-treated composite system. The as-fabricated heat-resistant hybrid micro/nanoarchitectures, consisting of GOs and piezoelectric PVDF micro/nanowires, may permit niche applications in self-powered micro/nanodevices for energy scavenging from their working environments.

Spectroscopic and neutron detection properties of rare earth and titanium doped LiAlO 2 single crystals

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

Dickens, Peter T.; Marcial, José; McCloy, John

In this study, LiAlO2 crystals doped with rare-earth elements and Ti were produced by the CZ method and spectroscopic and neutron detection properties were investigated. Photoluminescence revealed no clear luminescent activation of LiAlO2 by the rare-earth dopants though some interesting luminescence was observed from secondary phases within the crystal. Gamma-ray pulse height spectra collected using a 137Cs source exhibited only a Compton edge for the crystals. Neutron modeling using Monte Carlo N-Particle Transport Code revealed most neutrons used in the detection setup are thermalized, and while using natural lithium in the crystal growth, which contains 7.6 % 6Li, a 10more » mm Ø by 10 mm sample of LiAlO2 has a 70.7 % intrinsic thermal neutron capture efficiency. Furthermore, the pulse height spectra collected using a 241Am-Be neutron source demonstrated a distinct neutron peak.« less

Spectroscopic and neutron detection properties of rare earth and titanium doped LiAlO 2 single crystals

DOE PAGES

Dickens, Peter T.; Marcial, Jose; McCloy, John; ...

2017-05-17

In this study, LiAlO 2 crystals doped with rare-earth elements and Ti were produced by the CZ method and spectroscopic and neutron detection properties were investigated. Photoluminescence revealed no clear luminescent activation of LiAlO 2 by the rare-earth dopants though some interesting luminescence was observed from secondary phases within the crystal. Gamma-ray pulse height spectra collected using a 137Cs source exhibited only a Compton edge for the crystals. Neutron modeling using Monte Carlo N-Particle Transport Code revealed most neutrons used in the detection setup are thermalized, and while using natural lithium in the crystal growth, which contains 7.6% 6Li, amore » 10 mm Ø by 10 mm sample of LiAlO 2 has a 70.7% intrinsic thermal neutron capture efficiency. Furthermore, the pulse height spectra collected using a 241Am-Be neutron source demonstrated a distinct neutron peak.« less

Photonic crystals possessing multiple Weyl points and the experimental observation of robust surface states

PubMed Central

Chen, Wen-Jie; Xiao, Meng; Chan, C. T.

2016-01-01

Weyl points, as monopoles of Berry curvature in momentum space, have captured much attention recently in various branches of physics. Realizing topological materials that exhibit such nodal points is challenging and indeed, Weyl points have been found experimentally in transition metal arsenide and phosphide and gyroid photonic crystal whose structure is complex. If realizing even the simplest type of single Weyl nodes with a topological charge of 1 is difficult, then making a real crystal carrying higher topological charges may seem more challenging. Here we design, and fabricate using planar fabrication technology, a photonic crystal possessing single Weyl points (including type-II nodes) and multiple Weyl points with topological charges of 2 and 3. We characterize this photonic crystal and find nontrivial 2D bulk band gaps for a fixed kz and the associated surface modes. The robustness of these surface states against kz-preserving scattering is experimentally observed for the first time. PMID:27703140

Characterization of a plasma photonic crystal using a multi-fluid plasma model

NASA Astrophysics Data System (ADS)

Thomas, W. R.; Shumlak, U.; Wang, B.; Righetti, F.; Cappelli, M. A.; Miller, S. T.

2017-10-01

Plasma photonic crystals have the potential to significantly expand the capabilities of current microwave filtering and switching technologies by providing high speed (μs) control of energy band-gap/pass characteristics in the GHz through low THz range. While photonic crystals consisting of dielectric, semiconductor, and metallic matrices have seen thousands of articles published over the last several decades, plasma-based photonic crystals remain a relatively unexplored field. Numerical modeling efforts so far have largely used the standard methods of analysis for photonic crystals (the Plane Wave Expansion Method, Finite Difference Time Domain, and ANSYS finite element electromagnetic code HFSS), none of which capture nonlinear plasma-radiation interactions. In this study, a 5N-moment multi-fluid plasma model is implemented using University of Washington's WARPXM finite element multi-physics code. A two-dimensional plasma-vacuum photonic crystal is simulated and its behavior is characterized through the generation of dispersion diagrams and transmission spectra. These results are compared with theory, experimental data, and ANSYS HFSS simulation results. This research is supported by a Grant from United States Air Force Office of Scientific Research.

A High-Rate, Single-Crystal Model including Phase Transformations, Plastic Slip, and Twinning

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

Addessio, Francis L.; Bronkhorst, Curt Allan; Bolme, Cynthia Anne

2016-08-09

An anisotropic, rate-­dependent, single-­crystal approach for modeling materials under the conditions of high strain rates and pressures is provided. The model includes the effects of large deformations, nonlinear elasticity, phase transformations, and plastic slip and twinning. It is envisioned that the model may be used to examine these coupled effects on the local deformation of materials that are subjected to ballistic impact or explosive loading. The model is formulated using a multiplicative decomposition of the deformation gradient. A plate impact experiment on a multi-­crystal sample of titanium was conducted. The particle velocities at the back surface of three crystal orientationsmore » relative to the direction of impact were measured. Molecular dynamics simulations were conducted to investigate the details of the high-­rate deformation and pursue issues related to the phase transformation for titanium. Simulations using the single crystal model were conducted and compared to the high-­rate experimental data for the impact loaded single crystals. The model was found to capture the features of the experiments.« less

Current and Future Research at DANCE

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

Jandel, M.; Baramsai, B.; Bredeweg, T. A.

2015-05-28

An overview of the current experimental program on measurements of neutron capture and neutron induced fission at the Detector for Advanced Neutron Capture Experiments (DANCE) is presented. Three major projects are currently under way: 1) high precision measurements of neutron capture cross sections on Uranium isotopes, 2) research aimed at studies of the short-lived actinide isomer production in neutron capture on 235U and 3) measurements of correlated data of fission observables. New projects include developments of auxiliary detectors to improve the capability of DANCE. We are building a compact, segmented NEUtron detector Array at DANCE (NEUANCE), which will be installedmore » in the central cavity of the DANCE array. It will thus provide experimental information on prompt fission neutrons in coincidence with the prompt fission gamma-rays measured by 160 BaF 2 crystals of DANCE. Additionally, unique correlated data will be obtained for neutron capture and neutron-induced fission using the DANCE-NEUANCE experimental set up in the future.« less

Evidence for alternative trapping strategies in two forms of the pitcher plant, Nepenthes rafflesiana

PubMed Central

Bauer, Ulrike; Grafe, T. Ulmar; Federle, Walter

2011-01-01

Nepenthes pitchers are specialized leaves that function as insect traps. Several pitcher components may contribute to trapping, including the pitcher fluid, slippery wax crystals and downward-pointing epidermal cells on the inner pitcher wall, and the wetness-dependent pitcher rim (peristome), but the relative importance of these traits is unclear. Mechanisms of prey capture and retention in the field were investigated by quantifying the effect of ‘knock-out’ manipulations of individual pitcher structures, and by testing the ability of pitcher fluids and water to retain insects. Two forms of Nepenthes rafflesiana Jack (‘elongate’ and ‘typical’) with contrasting combinations of pitcher traits were compared. Wax crystals on the inner pitcher wall were found to be the most important trapping structure in the elongate form, whereas the typical form relied primarily on the peristome. The pitcher fluids of both forms, differing markedly in the degree of viscoelasticity, retained significantly more ants than water. The present results show that pitcher plants utilize several mechanisms for prey capture and retention, varying in efficiency and relative importance between forms. It is proposed that these differences represent alternative prey capture strategies that may provide a mechanism to reduce competition and facilitate species co-existence in nutrient-limited habitats. PMID:21459766

Evidence for alternative trapping strategies in two forms of the pitcher plant, Nepenthes rafflesiana.

PubMed

Bauer, Ulrike; Grafe, T Ulmar; Federle, Walter

2011-06-01

Nepenthes pitchers are specialized leaves that function as insect traps. Several pitcher components may contribute to trapping, including the pitcher fluid, slippery wax crystals and downward-pointing epidermal cells on the inner pitcher wall, and the wetness-dependent pitcher rim (peristome), but the relative importance of these traits is unclear. Mechanisms of prey capture and retention in the field were investigated by quantifying the effect of 'knock-out' manipulations of individual pitcher structures, and by testing the ability of pitcher fluids and water to retain insects. Two forms of Nepenthes rafflesiana Jack ('elongate' and 'typical') with contrasting combinations of pitcher traits were compared. Wax crystals on the inner pitcher wall were found to be the most important trapping structure in the elongate form, whereas the typical form relied primarily on the peristome. The pitcher fluids of both forms, differing markedly in the degree of viscoelasticity, retained significantly more ants than water. The present results show that pitcher plants utilize several mechanisms for prey capture and retention, varying in efficiency and relative importance between forms. It is proposed that these differences represent alternative prey capture strategies that may provide a mechanism to reduce competition and facilitate species co-existence in nutrient-limited habitats.

Modeling of surface effects in crystalline materials within the framework of gradient crystal plasticity

NASA Astrophysics Data System (ADS)

Peng, Xiang-Long; Husser, Edgar; Huang, Gan-Yun; Bargmann, Swantje

2018-03-01

A finite-deformation gradient crystal plasticity theory is developed, which takes into account the interaction between dislocations and surfaces. The model captures both energetic and dissipative effects for surfaces penetrable by dislocations. By taking advantage of the principle of virtual power, the surface microscopic boundary equations are obtained naturally. Surface equations govern surface yielding and hardening. A thin film under shear deformation serves as a benchmark problem for validation of the proposed model. It is found that both energetic and dissipative surface effects significantly affect the plastic behavior.

Compact fission counter for DANCE

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

Wu, C Y; Chyzh, A; Kwan, E

2010-11-06

The Detector for Advanced Neutron Capture Experiments (DANCE) consists of 160 BF{sub 2} crystals with equal solid-angle coverage. DANCE is a 4{pi} {gamma}-ray calorimeter and designed to study the neutron-capture reactions on small quantities of radioactive and rare stable nuclei. These reactions are important for the radiochemistry applications and modeling the element production in stars. The recognition of capture event is made by the summed {gamma}-ray energy which is equivalent of the reaction Q-value and unique for a given capture reaction. For a selective group of actinides, where the neutron-induced fission reaction competes favorably with the neutron capture reaction, additionalmore » signature is needed to distinguish between fission and capture {gamma} rays for the DANCE measurement. This can be accomplished by introducing a detector system to tag fission fragments and thus establish a unique signature for the fission event. Once this system is implemented, one has the opportunity to study not only the capture but also fission reactions. A parallel-plate avalanche counter (PPAC) has many advantages for the detection of heavy charged particles such as fission fragments. These include fast timing, resistance to radiation damage, and tolerance of high counting rate. A PPAC also can be tuned to be insensitive to {alpha} particles, which is important for experiments with {alpha}-emitting actinides. Therefore, a PPAC is an ideal detector for experiments requiring a fast and clean trigger for fission. A PPAC with an ingenious design was fabricated in 2006 by integrating amplifiers into the target assembly. However, this counter was proved to be unsuitable for this application because of issues related to the stability of amplifiers and the ability to separate fission fragments from {alpha}'s. Therefore, a new design is needed. A LLNL proposal to develop a new PPAC for DANCE was funded by NA22 in FY09. The design goal is to minimize the mass for the proposed counter and still be able to maintain a stable operation under extreme radioactivity and the ability to separate fission fragments from {alpha}'s. In the following sections, the description is given for the design and performance of this new compact PPAC, for studying the neutron-induced reactions on actinides using DANCE at LANL.« less

Large-scale crystallization of proteins for purification and formulation.

PubMed

Hekmat, Dariusch

2015-07-01

Since about 170 years, salts were used to create supersaturated solutions and crystallize proteins. The dehydrating effect of salts as well as their kosmotropic or chaotropic character was revealed. Even the suitability of organic solvents for crystallization was already recognized. Interestingly, what was performed during the early times is still practiced today. A lot of effort was put into understanding the underlying physico-chemical interaction mechanisms leading to protein crystallization. However, it was understood that already the solvation of proteins is a highly complex process not to mention the intricate interrelation of electrostatic and hydrophobic interactions taking place. Although many basic questions are still unanswered, preparative protein crystallization was attempted as illustrated in the presented case studies. Due to the highly variable nature of crystallization, individual design of the crystallization process is needed in every single case. It was shown that preparative crystallization from impure protein solutions as a capture step is possible after applying adequate pre-treatment procedures like precipitation or extraction. Protein crystallization can replace one or more chromatography steps. It was further shown that crystallization can serve as an attractive alternative means for formulation of therapeutic proteins. Crystalline proteins can offer enhanced purity and enable highly concentrated doses of the active ingredient. Easy scalability of the proposed protein crystallization processes was shown using the maximum local energy dissipation as a suitable scale-up criterion. Molecular modeling and target-oriented protein engineering may allow protein crystallization to become part of a platform purification process in the near future.

Observing ice particle growth along fall streaks in mixed-phase clouds using spectral polarimetric radar data

NASA Astrophysics Data System (ADS)

Pfitzenmaier, Lukas; Unal, Christine M. H.; Dufournet, Yann; Russchenberg, Herman W. J.

2018-06-01

The growth of ice crystals in presence of supercooled liquid droplets represents the most important process for precipitation formation in the mid-latitudes. However, such mixed-phase interaction processes remain relatively unknown, as capturing the complexity in cloud dynamics and microphysical variabilities turns to be a real observational challenge. Ground-based radar systems equipped with fully polarimetric and Doppler capabilities in high temporal and spatial resolutions such as the S-band transportable atmospheric radar (TARA) are best suited to observe mixed-phase growth processes. In this paper, measurements are taken with the TARA radar during the ACCEPT campaign (analysis of the composition of clouds with extended polarization techniques). Besides the common radar observables, the 3-D wind field is also retrieved due to TARA unique three beam configuration. The novelty of this paper is to combine all these observations with a particle evolution detection algorithm based on a new fall streak retrieval technique in order to study ice particle growth within complex precipitating mixed-phased cloud systems. In the presented cases, three different growth processes of ice crystals, plate-like crystals, and needles are detected and related to the presence of supercooled liquid water. Moreover, TARA observed signatures are assessed with co-located measurements obtained from a cloud radar and radiosondes. This paper shows that it is possible to observe ice particle growth processes within complex systems taking advantage of adequate technology and state of the art retrieval algorithms. A significant improvement is made towards a conclusive interpretation of ice particle growth processes and their contribution to rain production using fall streak rearranged radar data.

Tunable sensitivity phase detection of transmitted-type dual-channel guided-mode resonance sensor based on phase-shift interferometry.

PubMed

Kuo, Wen-Kai; Syu, Siang-He; Lin, Peng-Zhi; Yu, Hsin Her

2016-02-01

This paper reports on a transmitted-type dual-channel guided-mode resonance (GMR) sensor system that uses phase-shifting interferometry (PSI) to achieve tunable phase detection sensitivity. Five interference images are captured for the PSI phase calculation within ∼15  s by using a liquid crystal retarder and a USB web camera. The GMR sensor structure is formed by a nanoimprinting process, and the dual-channel sensor device structure for molding is fabricated using a 3D printer. By changing the rotation angle of the analyzer in front of the camera in the PSI system, the sensor detection sensitivity can be tuned. The proposed system may achieve high throughput as well as high sensitivity. The experimental results show that an optimal detection sensitivity of 6.82×10(-4)  RIU can be achieved.

An evaluation of adhesive sample holders for advanced crystallographic experiments

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

Mazzorana, Marco; Sanchez-Weatherby, Juan, E-mail: juan.sanchez-weatherby@diamond.ac.uk; Sandy, James

Commercially available adhesives have been evaluated for crystal mounting when undertaking complex macromolecular crystallography experiments. Here, their use as tools for advanced sample mounting and cryoprotection is assessed and their suitability for room-temperature data-collection and humidity-controlled studies is investigated. The hydration state of macromolecular crystals often affects their overall order and, ultimately, the quality of the X-ray diffraction pattern that they produce. Post-crystallization techniques that alter the solvent content of a crystal may induce rearrangement within the three-dimensional array making up the crystal, possibly resulting in more ordered packing. The hydration state of a crystal can be manipulated by exposingmore » it to a stream of air at controlled relative humidity in which the crystal can equilibrate. This approach provides a way of exploring crystal hydration space to assess the diffraction capabilities of existing crystals. A key requirement of these experiments is to expose the crystal directly to the dehydrating environment by having the minimum amount of residual mother liquor around it. This is usually achieved by placing the crystal on a flat porous support (Kapton mesh) and removing excess liquid by wicking. Here, an alternative approach is considered whereby crystals are harvested using adhesives that capture naked crystals directly from their crystallization drop, reducing the process to a one-step procedure. The impact of using adhesives to ease the harvesting of different types of crystals is presented together with their contribution to background scattering and their usefulness in dehydration experiments. It is concluded that adhesive supports represent a valuable tool for mounting macromolecular crystals to be used in humidity-controlled experiments and to improve signal-to-noise ratios in diffraction experiments, and how they can protect crystals from modifications in the sample environment is discussed.« less

Propellant Flow Actuated Piezoelectric Igniter for Combustion Engines

NASA Technical Reports Server (NTRS)

Wollen, Mark A. (Inventor)

2018-01-01

A propellant flow actuated piezoelectric igniter device using one or more hammer balls retained by one or more magnets, or other retaining method, until sufficient fluid pressure is achieved in one or more charging chambers to release and accelerate the hammer ball, such that it impacts a piezoelectric crystal to produce an ignition spark. Certain preferred embodiments provide a means for repetitively capturing and releasing the hammer ball after it impacts one or more piezoelectric crystals, thereby oscillating and producing multiple, repetitive ignition sparks. Furthermore, an embodiment is presented for which oscillation of the hammer ball and repetitive impact to the piezoelectric crystal is maintained without the need for a magnet or other retaining mechanism to achieve this oscillating impact process.

Characterization of the influence of polarization orientation on bulk damage in KDP crystals at different wavelengths

NASA Astrophysics Data System (ADS)

Zheng, YinBo; Ding, Lei; Zhou, XinDa; Ba, RongSheng; Yuan, Jing; Xu, HongLei; Na, Jin; Li, YaJun; Yang, XiaoYu; Chai, Liqun; Chen, Bo; Zheng, WanGuo

2016-08-01

The investigation of polarization orientation on damage performance of type I doubler KDP crystals under different wavelengths pulses irradiation is presented in this work. Pinpoints densities (PPD) and the size distribution of pinpoints are extracted through light scattering pictures captured by microscope. The obtained results indicate that the measured PPD as a function of the fluence is both wavelength and polarization dependent, although neither fluence nor polarization have impact on the size distribution of pinpoints. We also find that the damage performances can separate into three groups depending on the wavelength, which suggests the existence of different categories of precursors and different mechanisms responsible for bulk damage initiation in SHG KDP crystals.

Form follows function: morphological diversification and alternative trapping strategies in carnivorous Nepenthes pitcher plants.

PubMed

Bauer, Ulrike; Clemente, C J; Renner, T; Federle, W

2012-01-01

Carnivorous plants of the genus Nepenthes have evolved a striking diversity of pitcher traps that rely on specialized slippery surfaces for prey capture. With a comparative study of trap morphology, we show that Nepenthes pitcher plants have evolved specific adaptations for the use of either one of two distinct trapping mechanisms: slippery wax crystals on the inner pitcher wall and 'insect aquaplaning' on the wet upper rim (peristome). Species without wax crystals had wider peristomes with a longer inward slope. Ancestral state reconstructions identified wax crystal layers and narrow, symmetrical peristomes as ancestral, indicating that wax crystals have been reduced or lost multiple times independently. Our results complement recent reports of nutrient source specializations in Nepenthes and suggest that these specializations may have driven speciation and rapid diversification in this genus. © 2011 The Authors. Journal of Evolutionary Biology © 2011 European Society For Evolutionary Biology.

Modeling a photoinduced planar-to-homeotropic anchoring transition triggered by surface azobenzene units in a nematic liquid crystal

NASA Astrophysics Data System (ADS)

Oswald, Patrick; Ignés-Mullol, Jordi

2017-09-01

The performance of light-controlled liquid crystal anchoring surfaces depends on the nature of the photosensitive moieties and on the concentration of spacer units. Here, we study the kinetics of photosensitive liquid crystal cells that incorporate an azobenzene-based self-assembled monolayer. We characterize the photoinduced homeotropic-to-planar transition and the subsequent reverse relaxation in terms of the underlying isomerization of the photosensitive layer. We show that the response time can be precisely adjusted by tuning the lateral packing of azobenzene units by means of inert spacer molecules. Using simple kinetic assumptions and a well-known model for the energetics of liquid crystal anchoring we are able to capture the details of the optical microscopy experimental observations. Our analysis provides fitted values for all the relevant material parameters, including the zenithal and the azimuthal anchoring strength.

Diffusion of CO2 in Large Crystals of Cu-BTC MOF.

PubMed

Tovar, Trenton M; Zhao, Junjie; Nunn, William T; Barton, Heather F; Peterson, Gregory W; Parsons, Gregory N; LeVan, M Douglas

2016-09-14

Carbon dioxide adsorption in metal-organic frameworks has been widely studied for applications in carbon capture and sequestration. A critical component that has been largely overlooked is the measurement of diffusion rates. This paper describes a new reproducible procedure to synthesize millimeter-scale Cu-BTC single crystals using concentrated reactants and an acetic acid modulator. Microscopic images, X-ray diffraction patterns, Brunauer-Emmett-Teller surface areas, and thermogravimetric analysis results all confirm the high quality of these Cu-BTC single crystals. The large crystal size aids in the accurate measurement of micropore diffusion coefficients. Concentration-swing frequency response performed at varying gas-phase concentrations gives diffusion coefficients that show very little dependence on the loading up to pressures of 0.1 bar. The measured micropore diffusion coefficient for CO2 in Cu-BTC is 1.7 × 10(-9) m(2)/s.

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

Dickens, Peter T.; Marcial, Jose; McCloy, John

In this study, LiAlO 2 crystals doped with rare-earth elements and Ti were produced by the CZ method and spectroscopic and neutron detection properties were investigated. Photoluminescence revealed no clear luminescent activation of LiAlO 2 by the rare-earth dopants though some interesting luminescence was observed from secondary phases within the crystal. Gamma-ray pulse height spectra collected using a 137Cs source exhibited only a Compton edge for the crystals. Neutron modeling using Monte Carlo N-Particle Transport Code revealed most neutrons used in the detection setup are thermalized, and while using natural lithium in the crystal growth, which contains 7.6% 6Li, amore » 10 mm Ø by 10 mm sample of LiAlO 2 has a 70.7% intrinsic thermal neutron capture efficiency. Furthermore, the pulse height spectra collected using a 241Am-Be neutron source demonstrated a distinct neutron peak.« less

Phase Separation and Crystallization of Hemoglobin C in Transgenic Mouse and Human Erythrocytes

PubMed Central

Canterino, Joseph E.; Galkin, Oleg; Vekilov, Peter G.; Hirsch, Rhoda Elison

2008-01-01

Individuals expressing hemoglobin C (β6 Glu→Lys) present red blood cells (RBC) with intraerythrocytic crystals that form when hemoglobin (Hb) is oxygenated. Our earlier in vitro liquid-liquid (L-L) phase separation studies demonstrated that liganded HbC exhibits a stronger net intermolecular attraction with a longer range than liganded HbS or HbA, and that L-L phase separation preceded and enhanced crystallization. We now present evidence for the role of phase separation in HbC crystallization in the RBC, and the role of the RBC membrane as a nucleation center. RBC obtained from both human homozygous HbC patients and transgenic mice expressing only human HbC were studied by bright-field and differential interference contrast video-enhanced microscopy. RBC were exposed to hypertonic NaCl solution (1.5–3%) to induce crystallization within an appropriate experimental time frame. L-L phase separation occurred inside the RBC, which in turn enhanced the formation of intraerythrocytic crystals. RBC L-L phase separation and crystallization comply with the thermodynamic and kinetics laws established through in vitro studies of phase transformations. This is the first report, to the best of our knowledge, to capture a temporal view of intraerythrocytic HbC phase separation, crystal formation, and dissolution. PMID:18621841

Navigating at Will on the Water Phase Diagram

NASA Astrophysics Data System (ADS)

Pipolo, S.; Salanne, M.; Ferlat, G.; Klotz, S.; Saitta, A. M.; Pietrucci, F.

2017-12-01

Despite the simplicity of its molecular unit, water is a challenging system because of its uniquely rich polymorphism and predicted but yet unconfirmed features. Introducing a novel space of generalized coordinates that capture changes in the topology of the interatomic network, we are able to systematically track transitions among liquid, amorphous, and crystalline forms throughout the whole phase diagram of water, including the nucleation of crystals above and below the melting point. Our approach, based on molecular dynamics and enhanced sampling or free energy calculation techniques, is not specific to water and could be applied to very different structural phase transitions, paving the way towards the prediction of kinetic routes connecting polymorphic structures in a range of materials.

Pd-Ag chronometry of IVA iron meteorites and the crystallization and cooling of a protoplanetary core

DOE PAGES

Matthes, M.; Fischer-Godde, M.; Kruijer, T. S.; ...

2017-09-07

To constrain the timescales and processes involved in the crystallization and cooling of protoplanetary cores, we examined the Pd-Ag isotope systematics of the IVA iron meteorites Muonionalusta and Gibeon. A Pd-Ag isochron for Muonionalusta provides an initial 107Pd/ 108Pd = (2.57 ± 0.07) × 10 -5. The three metal samples analyzed from Gibeon plot below the Muonionalusta isochron, but these samples also show significant effects of cosmic ray-induced neutron capture reactions, as is evident from 196Pt excesses in the Gibeon samples. After correction for neutron capture effects on Ag isotopes, the Gibeon samples plot on the Muonionalusta isochron, indicating thatmore » these two IVA irons have indistinguishable initial 107Pd/ 108Pd. Collectively, the Pd-Ag data indicate cooling of the IVA core below Pd-Ag closure between 2.9 ± 0.4 Ma and 8.9 ± 0.6 Ma after CAI formation, where this age range reflects uncertainties in the initial 107Pd/ 108Pd ratios of the solar system, which in turn result from uncertainties in the Pb-Pb age of Muonionalusta. The Ag isotopic data indicate that the IVA core initially evolved with a modestly elevated Pd/Ag, but the low Ag concentrations measured for some metal samples indicate derivation from a source with much lower Ag contents and, hence, higher Pd/Ag. These contrasting observations can be reconciled if the IVA irons crystallized from an initially more Ag-rich core, followed by extraction of Fe-S melts during compaction of the nearly solidified core. Owing to its strong tendency to partition into Fe-S melts, Ag was removed from the IVA core during compaction, leading to the very low Ag concentration observed in metal samples of IVA irons. Alternatively, Ag was lost by evaporation from a still molten metallic body just prior to the onset of crystallization. The Pd-Ag isotopic data indicate that Muonionalusta cooled at >500 K/Ma through the Pd-Ag closure temperature of ~900 K, consistent with the rapid cooling inferred from metallographic cooling rates for IVA irons. Finally, combined, these observations are consistent with cooling of IVA irons in a metallic body with little or no silicate mantle.« less

Pd-Ag chronometry of IVA iron meteorites and the crystallization and cooling of a protoplanetary core

NASA Astrophysics Data System (ADS)

Matthes, M.; Fischer-Gödde, M.; Kruijer, T. S.; Kleine, T.

2018-01-01

To constrain the timescales and processes involved in the crystallization and cooling of protoplanetary cores, we examined the Pd-Ag isotope systematics of the IVA iron meteorites Muonionalusta and Gibeon. A Pd-Ag isochron for Muonionalusta provides an initial 107Pd/108Pd = (2.57 ± 0.07) × 10-5. The three metal samples analyzed from Gibeon plot below the Muonionalusta isochron, but these samples also show significant effects of cosmic ray-induced neutron capture reactions, as is evident from 196Pt excesses in the Gibeon samples. After correction for neutron capture effects on Ag isotopes, the Gibeon samples plot on the Muonionalusta isochron, indicating that these two IVA irons have indistinguishable initial 107Pd/108Pd. Collectively, the Pd-Ag data indicate cooling of the IVA core below Pd-Ag closure between 2.9 ± 0.4 Ma and 8.9 ± 0.6 Ma after CAI formation, where this age range reflects uncertainties in the initial 107Pd/108Pd ratios of the solar system, which in turn result from uncertainties in the Pb-Pb age of Muonionalusta. The Ag isotopic data indicate that the IVA core initially evolved with a modestly elevated Pd/Ag, but the low Ag concentrations measured for some metal samples indicate derivation from a source with much lower Ag contents and, hence, higher Pd/Ag. These contrasting observations can be reconciled if the IVA irons crystallized from an initially more Ag-rich core, followed by extraction of Fe-S melts during compaction of the nearly solidified core. Owing to its strong tendency to partition into Fe-S melts, Ag was removed from the IVA core during compaction, leading to the very low Ag concentration observed in metal samples of IVA irons. Alternatively, Ag was lost by evaporation from a still molten metallic body just prior to the onset of crystallization. The Pd-Ag isotopic data indicate that Muonionalusta cooled at >500 K/Ma through the Pd-Ag closure temperature of ∼900 K, consistent with the rapid cooling inferred from metallographic cooling rates for IVA irons. Combined, these observations are consistent with cooling of IVA irons in a metallic body with little or no silicate mantle.

Pd-Ag chronometry of IVA iron meteorites and the crystallization and cooling of a protoplanetary core

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

Matthes, M.; Fischer-Godde, M.; Kruijer, T. S.

To constrain the timescales and processes involved in the crystallization and cooling of protoplanetary cores, we examined the Pd-Ag isotope systematics of the IVA iron meteorites Muonionalusta and Gibeon. A Pd-Ag isochron for Muonionalusta provides an initial 107Pd/ 108Pd = (2.57 ± 0.07) × 10 -5. The three metal samples analyzed from Gibeon plot below the Muonionalusta isochron, but these samples also show significant effects of cosmic ray-induced neutron capture reactions, as is evident from 196Pt excesses in the Gibeon samples. After correction for neutron capture effects on Ag isotopes, the Gibeon samples plot on the Muonionalusta isochron, indicating thatmore » these two IVA irons have indistinguishable initial 107Pd/ 108Pd. Collectively, the Pd-Ag data indicate cooling of the IVA core below Pd-Ag closure between 2.9 ± 0.4 Ma and 8.9 ± 0.6 Ma after CAI formation, where this age range reflects uncertainties in the initial 107Pd/ 108Pd ratios of the solar system, which in turn result from uncertainties in the Pb-Pb age of Muonionalusta. The Ag isotopic data indicate that the IVA core initially evolved with a modestly elevated Pd/Ag, but the low Ag concentrations measured for some metal samples indicate derivation from a source with much lower Ag contents and, hence, higher Pd/Ag. These contrasting observations can be reconciled if the IVA irons crystallized from an initially more Ag-rich core, followed by extraction of Fe-S melts during compaction of the nearly solidified core. Owing to its strong tendency to partition into Fe-S melts, Ag was removed from the IVA core during compaction, leading to the very low Ag concentration observed in metal samples of IVA irons. Alternatively, Ag was lost by evaporation from a still molten metallic body just prior to the onset of crystallization. The Pd-Ag isotopic data indicate that Muonionalusta cooled at >500 K/Ma through the Pd-Ag closure temperature of ~900 K, consistent with the rapid cooling inferred from metallographic cooling rates for IVA irons. Finally, combined, these observations are consistent with cooling of IVA irons in a metallic body with little or no silicate mantle.« less

Taking geoscience to the IMAX: 3D and 4D insight into geological processes using micro-CT

NASA Astrophysics Data System (ADS)

Dobson, Katherine; Dingwell, Don; Hess, Kai-Uwe; Withers, Philip; Lee, Peter; Pistone, Mattia; Fife, Julie; Atwood, Robert

2015-04-01

Geology is inherently dynamic, and full understanding of any geological system can only be achieved by considering the processes by which change occurs. Analytical limitations mean understanding has largely developed from ex situ analyses of the products of geological change, rather than of the processes themselves. Most methods essentially utilise "snap shot" sampling: and from thin section petrography to high resolution crystal chemical stratigraphy and field volcanology, we capture an incomplete view of a spatially and temporally variable system. Even with detailed experimental work, we can usually only analyse samples before and after we perform an experiment, as routine analysis methods are destructive. Serial sectioning and quenched experiments stopped at different stages can give some insight into the third and fourth dimension, but the true scaling of the processes from the laboratory to the 4D (3D + time) geosphere is still poorly understood. Micro computed tomography (XMT) can visualise the internal structures and spatial associations within geological samples non-destructively. With image resolutions of between 200 microns and 50 nanometres, tomography has the ability to provide a detailed sample assessment in 3D, and quantification of mineral associations, porosity, grain orientations, fracture alignments and many other features. This allows better understanding of the role of the complex geometries and associations within the samples, but the challenge of capturing the processes that generate and modify these structures remains. To capture processes, recent work has focused on developing experimental capability for in situ experiments on geological materials. Data presented will showcase examples from recent experiments where high speed synchrotron x-ray tomography has been used to acquire each 3D image in under 2 seconds. We present a suite of studies that showcase how it is now possible to take quantification of many geological processed into 3D and 4D. This will include tracking the interactions between bubbles and crystals in a deforming magma, the dissolution of individual mineral grains from low grade ores, and quantification of three phase flow in sediments and soils. Our aim is to demonstrate how XMT can provide new insight into dynamic processes in all geoscience disciplines, and give you some insight into where 4D geoscience could take us next.

Dynamic integral imaging technology for 3D applications (Conference Presentation)

NASA Astrophysics Data System (ADS)

Huang, Yi-Pai; Javidi, Bahram; Martínez-Corral, Manuel; Shieh, Han-Ping D.; Jen, Tai-Hsiang; Hsieh, Po-Yuan; Hassanfiroozi, Amir

2017-05-01

Depth and resolution are always the trade-off in integral imaging technology. With the dynamic adjustable devices, the two factors of integral imaging can be fully compensated with time-multiplexed addressing. Those dynamic devices can be mechanical or electrical driven. In this presentation, we will mainly focused on discussing various Liquid Crystal devices which can change the focal length, scan and shift the image position, or switched in between 2D/3D mode. By using the Liquid Crystal devices, dynamic integral imaging have been successfully applied on 3D Display, capturing, and bio-imaging applications.

Coarse gaining of molecular crystals: limitations imposed by molecular flexibility

NASA Astrophysics Data System (ADS)

Picu, Catalin; Pal, Anirban

Molecular crystals include molecular electronics, energetic materials, pharmaceuticals and some food components. In many of these applications the small scale mechanical behavior of the crystal is important such as for example in energetic materials where detonation is induced by the formation of hot spots which are induced thermomechanically, and in pharmaceuticals where phase stability is critical for the biochemical activity of the drug. Accurate modeling of these processes requires resolving the atomistic scale details of the material. However, the cost of these models is very large due to the complexity of the molecules forming the crystal, and some form of coarse graning is necessary. In this study we identify the limitations imposed by the need to accurately capture molecular flexibility on the development of coarse grained models for the energetic molecular crystal RDX. We define guidelines for the definition of coarse grained models that target elastic and plastic crystal scale properties such as elastic constants, thermal expansion, compressibility, the critical stress for the motion of dislocations (Peierls stress) and the stacking fault energy This work was supported by the ARO through Grant W911NF-09-1-0330 and AFRL through Grant FA8651-16-1-0004.

EQCM Immunoassay for Phosphorylated Acetylcholinesterase as a Biomarker for Organophosphate Exposures Based on Selective Zirconia Adsorption and Enzyme-Catalytic Precipitation

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

Wang, Hua; Wang, Jun; Choi, Daiwon

2009-03-01

A zirconia (ZrO2) adsorption-based immunoassay by electrochemical quartz crystal microbalance (EQCM) has been initially developed, aiming at the detection of phosphorylated acetylcholinesterase (AChE) as a potential biomarker for bio-monitoring exposures to organophosphate (OP) pesticides and chemical warfare agents. Hydroxyl-derivatized monolayer was preferably chosen to modify the crystal serving as the template for directing the electro-deposition of ZrO2 film with uniform nanostructures. The resulting ZrO2 film was utilized to selectively capture phosphorylated AChE from the sample media. Horseradish peroxidase (HRP)-labeled anti-AChE antibodies were further employed to recognize the captured phosphorylated protein. Enzyme-catalytic oxidation of the benzidine substrate resulted in the accumulationmore » of insoluble product on the functionalized crystal. Ultrasensitive EQCM quantification by mass-amplified frequency responses as well as rapid qualification by visual color changes of product could be thus achieved. Moreover, 4-chloro-1-naphthol (CN) was comparably studied as an ideal chromogenic substrate for the enzyme-catalytic precipitation. Experimental results show that the developed EQCM technique can allow for the detection of phosphorylated AChE in human plasma. Such an EQCM immunosensing format opens a new door towards the development of simple, sensitive, and field-applicable biosensor for biologically monitoring low-level OP exposures.« less

Excitonic couplings between molecular crystal pairs by a multistate approximation

NASA Astrophysics Data System (ADS)

Aragó, Juan; Troisi, Alessandro

2015-04-01

In this paper, we present a diabatization scheme to compute the excitonic couplings between an arbitrary number of states in molecular pairs. The method is based on an algebraic procedure to find the diabatic states with a desired property as close as possible to that of some reference states. In common with other diabatization schemes, this method captures the physics of the important short-range contributions (exchange, overlap, and charge-transfer mediated terms) but it becomes particularly suitable in presence of more than two states of interest. The method is formulated to be usable with any level of electronic structure calculations and to diabatize different types of states by selecting different molecular properties. These features make the diabatization scheme presented here especially appropriate in the context of organic crystals, where several excitons localized on the same molecular pair may be found close in energy. In this paper, the method is validated on the tetracene crystal dimer, a well characterized case where the charge transfer (CT) states are closer in energy to the Frenkel excitons (FE). The test system was studied as a function of an external electric field (to explore the effect of changing the relative energy of the CT excited state) and as a function of different intermolecular distances (to probe the strength of the coupling between FE and CT states). Additionally, we illustrate how the approximation can be used to include the environment polarization effect.

Thermomechanical behavior of shape memory elastomeric composites

NASA Astrophysics Data System (ADS)

Ge, Qi; Luo, Xiaofan; Rodriguez, Erika D.; Zhang, Xiao; Mather, Patrick T.; Dunn, Martin L.; Qi, H. Jerry

2012-01-01

Shape memory polymers (SMPs) can fix a temporary shape and recover their permanent shape in response to environmental stimuli such as heat, electricity, or irradiation. Most thermally activated SMPs use the macromolecular chain mobility change around the glass transition temperature ( Tg) to achieve the shape memory (SM) effects. During this process, the stiffness of the material typically changes by three orders of magnitude. Recently, a composite materials approach was developed to achieve thermally activated shape memory effect where the material exhibits elastomeric response in both the temporary and the recovered configurations. These shape memory elastomeric composites (SMECs) consist of an elastomeric matrix reinforced by a semicrystalline polymer fiber network. The matrix provides background rubber elasticity while the fiber network can transform between solid crystals and melt phases over the operative temperature range. As such it serves as a reversible "switching phase" that enables shape fixing and recovery. Shape memory elastomeric composites provide a new paradigm for the development of a wide array of active polymer composites that utilize the melt-crystal transition to achieve the shape memory effect. This potentially allows for material systems with much simpler chemistries than most shape memory polymers and thus can facilitate more rapid material development and insertion. It is therefore important to understand the thermomechanical behavior and to develop corresponding material models. In this paper, a 3D finite-deformation constitutive modeling framework was developed to describe the thermomechanical behavior of SMEC. The model is phenomenological, although inspired by micromechanical considerations of load transfer between the matrix and fiber phases of a composite system. It treats the matrix as an elastomer and the fibers as a complex solid that itself is an aggregate of melt and crystal phases that evolve from one to the other during a temperature change. As such, the composite consists of an elastomer reinforced by a soft liquid at high temperature and a stiff solid at low temperature. The model includes a kinetic description of the non-isothermal crystallization and melting of the fibers during a temperature change. As the fibers transform from melt to crystal during cooling it is assumed that new crystals are formed in an undeformed state, which requires careful tracking of the kinematics of the evolving phases which comes at a significant computational cost. In order to improve the computational efficiency, an effective phase model (EPM) is adopted to treat the evolving crystal phases as an effective medium. A suite of careful thermomechanical experiments with a SMEC was carried out to calibrate various model parameters, and then to demonstrate the ability of the model to accurately capture the shape memory behavior of the SMEC system during complex thermomechanical loading scenarios. The model also identifies the effects of microstructural design parameters such as the fiber volume fraction.

The origin and evolution of silicic magmas during continental rifting: new constraints from trace elements and oxygen isotopes from Ethiopian volcanoes

NASA Astrophysics Data System (ADS)

Hutchison, W.; Boyce, A.; Mather, T. A.; Pyle, D. M.; Yirgu, G.; Gleeson, M. L.

2017-12-01

The petrologic diversity of rift magmas is generated by two key processes: interaction with the crust via partial melting or assimilation; and closed-system fractional crystallization of the parental magma. It is not yet known whether these two petrogenetic processes vary spatially between different rift settings, and whether there are any significant secular variations during rift evolution. The Ethiopian Rift is the ideal setting to test these hypotheses because it captures the transition from continental rifting to sea-floor spreading and has witnessed the eruption of large volumes of mafic and silicic volcanic rocks since 30 Ma. We use new oxygen isotope (δ18O) and trace element data to fingerprint fractional crystallisation and partial crustal melting processes in Ethiopia and evaluate spatial variations between three active rift segments. δ18O measurements are used to examine partial crustal melting processes. We find that most δ18O data from basalts to rhyolites fall within the bounds of modelled fractional crystallization trajectories (i.e., 5.5-6.5 ‰). Few samples deviate from this trend, emphasising that fractional crystallization is the dominant petrogenetic processes and that little fusible Precambrian crustal material (δ18O of 7-18 ‰) remain to be assimilated beneath the magmatic segments. Trace element systematics (e.g., Ba, Sr, Rb, Th and Zr) further underscore the dominant role of fractional crystallization but also reveal important variations in the degree of melt evolution between the volcanic systems. We find that the most evolved silicic magmas, i.e., those with greatest peralkalinity (molar Na2O+K2O>Al2O3), are promoted in regions of lowest magma flux off-axis and along rift. Our findings provide new information on the nature of the crust beneath Ethiopia's active magmatic segments and also have relevance for understanding ancient rift zones and the geotectonic settings that promote genesis of economically-valuable mineral deposits.

Self-consistent phonon theory of the crystallization and elasticity of attractive hard spheres.

PubMed

Shin, Homin; Schweizer, Kenneth S

2013-02-28

We propose an Einstein-solid, self-consistent phonon theory for the crystal phase of hard spheres that interact via short-range attractions. The approach is first tested against the known behavior of hard spheres, and then applied to homogeneous particles that interact via short-range square well attractions and the Baxter adhesive hard sphere model. Given the crystal symmetry, packing fraction, and strength and range of attractive interactions, an effective harmonic potential experienced by a particle confined to its Wigner-Seitz cell and corresponding mean square vibrational amplitude are self-consistently calculated. The crystal free energy is then computed and, using separate information about the fluid phase free energy, phase diagrams constructed, including a first-order solid-solid phase transition and its associated critical point. The simple theory qualitatively captures all the many distinctive features of the phase diagram (critical and triple point, crystal-fluid re-entrancy, low-density coexistence curve) as a function of attraction range, and overall is in good semi-quantitative agreement with simulation. Knowledge of the particle localization length allows the crystal shear modulus to be estimated based on elementary ideas. Excellent predictions are obtained for the hard sphere crystal. Expanded and condensed face-centered cubic crystals are found to have qualitatively different elastic responses to varying attraction strength or temperature. As temperature increases, the expanded entropic solid stiffens, while the energy-controlled, fully-bonded dense solid softens.

FY07 LDRD Final Report Neutron Capture Cross-Section Measurements at DANCE

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

Parker, W; Agvaanluvsan, U; Wilk, P

2008-02-08

We have measured neutron capture cross sections intended to address defense science problems including mix and the Quantification of Margins and Uncertainties (QMU), and provide details about statistical decay of excited nuclei. A major part of this project included developing the ability to produce radioactive targets. The cross-section measurements were made using the white neutron source at the Los Alamos Neutron Science Center, the detector array called DANCE (The Detector for Advanced Neutron Capture Experiments) and targets important for astrophysics and stockpile stewardship. DANCE is at the leading edge of neutron capture physics and represents a major leap forward inmore » capability. The detector array was recently built with LDRD money. Our measurements are a significant part of the early results from the new experimental DANCE facility. Neutron capture reactions are important for basic nuclear science, including astrophysics and the statistics of the {gamma}-ray cascades, and for applied science, including stockpile science and technology. We were most interested in neutron capture with neutron energies in the range between 1 eV and a few hundred keV, with targets important to basic science, and the s-process in particular. Of particular interest were neutron capture cross-section measurements of rare isotopes, especially radioactive isotopes. A strong collaboration between universities and Los Alamos due to the Academic Alliance was in place at the start of our project. Our project gave Livermore leverage in focusing on Livermore interests. The Lawrence Livermore Laboratory did not have a resident expert in cross-section measurements; this project allowed us to develop this expertise. For many radionuclides, the cross sections for destruction, especially (n,{gamma}), are not well known, and there is no adequate model that describes neutron capture. The modeling problem is significant because, at low energies where capture reactions are important, the neutron reaction cross sections show resonance behavior or follow 1/v of the incident neutrons. In the case of odd-odd nuclei, the modeling problem is particularly difficult because degenerate states (rotational bands) present in even-even nuclei have separated in energy. Our work included interpretation of the {gamma}-ray spectra to compare with the Statistical Model and provides information on level density and statistical decay. Neutron capture cross sections are of programmatic interest to defense sciences because many elements were added to nuclear devices in order to determine various details of the nuclear detonation, including fission yields, fusion yields, and mix. Both product nuclei created by (n,2n) reactions and reactant nuclei are transmuted by neutron capture during the explosion. Very few of the (n,{gamma}) cross sections for reactions that create products measured by radiochemists have ever been experimentally determined; most are calculated by radiochemical equivalences. Our new experimentally measured capture cross sections directly impact our knowledge about the uncertainties in device performances, which enhances our capability of carrying out our stockpile stewardship program. Europium and gadolinium cross sections are important for both astrophysics and defense programs. Measurements made prior to this project on stable europium targets differ by 30-40%, which was considered to be significantly disparate. Of the gadolinium isotopes, {sup 151}Gd is important for stockpile stewardship, and {sup 153}Gd is of high interest to astrophysics, and nether of these (radioactive) gadolinium (n,{gamma}) cross sections have been measured. Additional stable gadolinium isotopes, including {sup 157,160}Gd are of interest to astrophysics. Historical measurements of gadolinium isotopes, including {sup 152,154}Gd, had disagreements similar to the 30-40% disagreements found in the historical europium data. Actinide capture cross section measurements are important for both Stockpile Stewardship and for nuclear forensics. We focused on the {sup 242m}Am(n,{gamma}) measurement, as there was no existing capture measurement for this isotope. The cross-section measurements (cross section vs. E{sub n}) were made at the Detector for Advanced Neutron Capture Experiments. DANCE is comprised of a highly segmented array of barium fluoride (BaF{sub 2}) crystals specifically designed for neutron capture-gamma measurements, using small radioactive targets (less than one milligram). A picture of half the array, along with a photo of one crystal, is shown in Fig. 1. DANCE provides the world's leading capability for measurements of neutron capture cross sections with radioactive targets. The DANCE is a 4{pi} calorimeter and uses the intense spallation neutron source the Lujan Center at the Los Alamos National Laboratory. The detector array consists of 159 barium fluoride crystals arranged in a sphere around the target.« less

The complexity of non-Schmid behavior in the CuZnAl shape memory alloy

NASA Astrophysics Data System (ADS)

Alkan, S.; Ojha, A.; Sehitoglu, H.

2018-05-01

The paper addresses one of the most important yet overlooked phenomenon in shape memory research- the plastic slip response. We show that the slip response is highly crystal orientation dependent and we demonstrate the precise reasons behind such complex response. The fractional dislocations on <111> {112} or <111> {011} systems can be activated depending on the sample orientation and solutions are derived for the variations in disregistries and dislocation core spreadings. This leads to the calculation of critical resolved shear stress in close agreement with experimental trends. The results show considerable dependence of the flow behavior on the non-Schmid stress components and the proposed yield criterion captures the role of stress tensor components.

Experimental design to generate strong shear layers in a high-energy-density plasma

NASA Astrophysics Data System (ADS)

Harding, E. C.; Drake, R. P.; Aglitskiy, Y.; Gillespie, R. S.; Grosskopf, M. J.; Weaver, J. L.; Velikovich, A. L.; Visco, A.; Ditmar, J. R.

2010-06-01

The development of a new experimental system for generating a strong shear flow in a high-energy-density plasma is described in detail. The targets were designed with the goal of producing a diagnosable Kelvin-Helmholtz (KH) instability, which plays an important role in the transition turbulence but remains relatively unexplored in the high-energy-density regime. To generate the shear flow the Nike laser was used to drive a flow of Al plasma over a low-density foam surface with an initial perturbation. The interaction of the Al and foam was captured with a spherical crystal imager using 1.86 keV X-rays. The selection of the individual targets components is discussed and results are presented.

Antibiotic Capture by Bacterial Lipocalins Uncovers an Extracellular Mechanism of Intrinsic Antibiotic Resistance

PubMed Central

El-Halfawy, Omar M.; Klett, Javier; Ingram, Rebecca J.; Loutet, Slade A.; Murphy, Michael E. P.; Martín-Santamaría, Sonsoles

2017-01-01

ABSTRACT The potential for microbes to overcome antibiotics of different classes before they reach bacterial cells is largely unexplored. Here we show that a soluble bacterial lipocalin produced by Burkholderia cenocepacia upon exposure to sublethal antibiotic concentrations increases resistance to diverse antibiotics in vitro and in vivo. These phenotypes were recapitulated by heterologous expression in B. cenocepacia of lipocalin genes from Pseudomonas aeruginosa, Mycobacterium tuberculosis, and methicillin-resistant Staphylococcus aureus. Purified lipocalin bound different classes of bactericidal antibiotics and contributed to bacterial survival in vivo. Experimental and X-ray crystal structure-guided computational studies revealed that lipocalins counteract antibiotic action by capturing antibiotics in the extracellular space. We also demonstrated that fat-soluble vitamins prevent antibiotic capture by binding bacterial lipocalin with higher affinity than antibiotics. Therefore, bacterial lipocalins contribute to antimicrobial resistance by capturing diverse antibiotics in the extracellular space at the site of infection, which can be counteracted by known vitamins. PMID:28292982

The Growth of Melt Inclusion- and Water-Rich Zones in Clinopyroxene Phenocrysts of the Powai Ankaramite Flow, Deccan Traps, India: Rapid Closed System Oscillatory Mineral Growth

NASA Astrophysics Data System (ADS)

Seaman, S. J.

2015-12-01

Water concentrations were measured and mapped using FTIR spectroscopy in clinopyroxene phenocrysts of the Powai ankaramite flow, located near Mumbai, west of the Western Ghats escarpment of the Deccan province, India. Samples were provided by Dr. Hetu Sheth of the Indian Institute of Technology, Mumbai. Chatterjee and Sheth (2015) showed that phenocrysts in the flow were part of a cumulate layer intruded by high-temperature basaltic melt at ~ 6 kb and ~1230oC. Cpx phenocrysts are euhedral and have concentric bands (100 to 200 microns thick) of fine (10-20 micron diameter) melt inclusions. Cpx bands that host melt inclusions have higher concentrations of water than inclusion-free bands. Water concentrations of cpx and ol were used to calculate water concentrations in the melt from which the crystals formed. Water concentrations in the parent magma were between 4.35 and 8.26 wt. % based on water concentrations in cpx, and between 8.24 and 9.41 wt. % based on those in ol. Both Mg and Fe are relatively depleted in the water- and melt inclusion-rich zones in cpx, and Ca is enriched in these zones. We suggest that oscillatory zoning in cpx is a result of repeated growth of cpx in water-richer and water-poorer boundary layers in which water lowered melt viscosity and enhanced diffusion and crystal growth rates. Water-enhanced growth rates may have resulted in preferential capture of melt inclusions preserved in water-rich cpx zones. Mg was preferentially incorporated into the cpx, causing Ca and water to build up in the boundary layer, and Mg and Fe to become relatively depleted in the boundary layer, as discussed for oscillatorially-zoned minerals by Wang and Merino (1993). Application of the equations for growth of oscillatory zones in crystals given by Wang and Merino (1993) to the growth of cpx crystals in the Powai ankaramite indicate that crystal growth occurred relatively quickly, on the order of days, although the width of the boundary zone, which is uncertain, controls the rate. These results are consistent with Wang and Merino's contention that oscillatory growth zones in crystals can be the result of closed system processes involving advection and diffusion of ionic species into and out of the boundary zone between crystal and melt, and, on a broader scale, suggest that at least this Deccan magma was relatively hydrous.

Real-time Mesoscale Visualization of Dynamic Damage and Reaction in Energetic Materials under Impact

NASA Astrophysics Data System (ADS)

Chen, Wayne; Harr, Michael; Kerschen, Nicholas; Maris, Jesus; Guo, Zherui; Parab, Niranjan; Sun, Tao; Fezzaa, Kamel; Son, Steven

Energetic materials may be subjected to impact and vibration loading. Under these dynamic loadings, local stress or strain concentrations may lead to the formation of hot spots and unintended reaction. To visualize the dynamic damage and reaction processes in polymer bonded energetic crystals under dynamic compressive loading, a high speed X-ray phase contrast imaging setup was synchronized with a Kolsky bar and a light gas gun. Controlled compressive loading was applied on PBX specimens with a single or multiple energetic crystal particles and impact-induced damage and reaction processes were captured using the high speed X-ray imaging setup. Impact velocities were systematically varied to explore the critical conditions for reaction. At lower loading rates, ultrasonic exercitations were also applied to progressively damage the crystals, eventually leading to reaction. AFOSR, ONR.

Light-Activated Gigahertz Ferroelectric Domain Dynamics

NASA Astrophysics Data System (ADS)

Akamatsu, Hirofumi; Yuan, Yakun; Stoica, Vladimir A.; Stone, Greg; Yang, Tiannan; Hong, Zijian; Lei, Shiming; Zhu, Yi; Haislmaier, Ryan C.; Freeland, John W.; Chen, Long-Qing; Wen, Haidan; Gopalan, Venkatraman

2018-03-01

Using time- and spatially resolved hard x-ray diffraction microscopy, the striking structural and electrical dynamics upon optical excitation of a single crystal of BaTiO3 are simultaneously captured on subnanoseconds and nanoscale within individual ferroelectric domains and across walls. A large emergent photoinduced electric field of up to 20 ×106 V /m is discovered in a surface layer of the crystal, which then drives polarization and lattice dynamics that are dramatically distinct in a surface layer versus bulk regions. A dynamical phase-field modeling method is developed that reveals the microscopic origin of these dynamics, leading to gigahertz polarization and elastic waves traveling in the crystal with sonic speeds and spatially varying frequencies. The advances in spatiotemporal imaging and dynamical modeling tools open up opportunities for disentangling ultrafast processes in complex mesoscale structures such as ferroelectric domains.

A non-affine micro-macro approach to strain-crystallizing rubber-like materials

NASA Astrophysics Data System (ADS)

Rastak, Reza; Linder, Christian

2018-02-01

Crystallization can occur in rubber materials at large strains due to a phenomenon called strain-induced crystallization. We propose a multi-scale polymer network model to capture this process in rubber-like materials. At the microscopic scale, we present a chain formulation by studying the thermodynamic behavior of a polymer chain and its crystallization mechanism inside a stretching polymer network. The chain model accounts for the thermodynamics of crystallization and presents a rate-dependent evolution law for crystallization based on the gradient of the free energy with respect to the crystallinity variables to ensures the dissipation is always non-negative. The multiscale framework allows the anisotropic crystallization of rubber which has been observed experimentally. Two different approaches for formulating the orientational distribution of crystallinity are studied. In the first approach, the algorithm tracks the crystallization at a finite number of orientations. In contrast, the continuous distribution describes the crystallization for all polymer chain orientations and describes its evolution with only a few distribution parameters. To connect the deformation of the micro with that of the macro scale, our model combines the recently developed maximal advance path constraint with the principal of minimum average free energy, resulting in a non-affine deformation model for polymer chains. Various aspects of the proposed model are validated by existing experimental results, including the stress response, crystallinity evolution during loading and unloading, crystallinity distribution, and the rotation of the principal crystallization direction. As a case study, we simulate the formation of crystalline regions around a pre-existing notch in a 3D rubber block and we compare the results with experimental data.

Cross-Linking Studies of Lysozyme Nucleation

NASA Technical Reports Server (NTRS)

Forsythe, Elizabeth; Pusey, Marc

2000-01-01

Tetragonal chicken egg white crystals consist of 4(sub 3) helices running in alternating directions, the helix rows having a two fold symmetry with each other. The unit cell consists of one complete tetrameric turn from each of two adjacent helices (an octamer). PBC analysis indicates that the helix intermolecular bonds are the strongest in the crystal, therefore likely formed first. AFM analysis of the (110) surface shows only complete helices, no half steps or bisected helices being found, while AFM line scans to measure the growth step increments show that they are multiples of the 4(sub 3) helix tetramer dimensions. This supports our thesis that the growth units are in fact multiples of the four molecule 4(sub 3) helix unit, the "average" growth unit size for the (110) face being an octamer (two turns about the helix) and the (101) growth unit averaging about the size of a hexamer. In an effort to better understand the species involved in the crystal nucleation and growth process, we have initiated an experimental program to study the species formed in solution compared to what is found in the crystal through covalent cross-linking studies. These experiments use the heterobifunctional cross-linking agent aminoethyl-4-azidonitroanaline (AEANA). An aliphatic amine at one end is covalently attached to the protein by a carbodiimide-mediated reaction, and a photo reactive group at the other can be used to initiate crosslinking. Modifications to the parent structure can be used to alter the distance between the two reactive groups and thus the cross-linking agents "reach". In practice, the cross-linking agent is first coupled to the asp101 side chain through the amine group. Asp101 lies within the active site cleft, and previous work with fluorescent probes had shown that derivatives at this site still crystallize in the tetragonal space group. This was also found to be the case with the AEANA derivative, which gave red tetragonal crystals. The protein now has a reactive group that can be photoactivated at a specific point in the nucleation or crystal growth process to "capture" protein molecules bound within reach of the crosslinking agent. If those bound protein molecules have a defined geometric relationship with the capturing molecule, such as would be found in a crystal, then the photoreacted cross-linking site should be consistent. Random protein interactions, typical of an amorphous precipitate or interaction, would show a random cross-linking reaction. The results of these and other experiments will be presented.

Capturing the crystalline phase of two-dimensional nanocrystal superlattices in action.

PubMed

Jiang, Zhang; Lin, Xiao-Min; Sprung, Michael; Narayanan, Suresh; Wang, Jin

2010-03-10

Critical photonic, electronic, and magnetic applications of two-dimensional nanocrystal superlattices often require nanostructures in perfect single-crystal phases with long-range order and limited defects. Here we discovered a crystalline phase with quasi-long-range positional order for two-dimensional nanocrystal superlattice domains self-assembled at the liquid-air interface during droplet evaporation, using in situ time-resolved X-ray scattering along with rigorous theories on two dimensional crystal structures. Surprisingly, it was observed that drying these superlattice domains preserved only an orientational order but not a long-range positional order, also supported by quantitative analysis of transmission electron microscopy images.

Ultrasound finite element simulation sensitivity to anisotropic titanium microstructures

NASA Astrophysics Data System (ADS)

Freed, Shaun; Blackshire, James L.; Na, Jeong K.

2016-02-01

Analytical wave models are inadequate to describe complex metallic microstructure interactions especially for near field anisotropic property effects and through geometric features smaller than the wavelength. In contrast, finite element ultrasound simulations inherently capture microstructure influences due to their reliance on material definitions rather than wave descriptions. To better understand and quantify heterogeneous crystal orientation effects to ultrasonic wave propagation, a finite element modeling case study has been performed with anisotropic titanium grain structures. A parameterized model has been developed utilizing anisotropic spheres within a bulk material. The resulting wave parameters are analyzed as functions of both wavelength and sphere to bulk crystal mismatch angle.

Identification of oxygen-related midgap level in GaAs

NASA Technical Reports Server (NTRS)

Lagowski, J.; Lin, D. G.; Gatos, H. C.; Aoyama, T.

1984-01-01

An oxygen-related deep level ELO was identified in GaAs employing Bridgman-grown crystals with controlled oxygen doping. The activation energy of ELO is almost the same as that of the dominant midgap level: EL2. This fact impedes the identification of ELO by standard deep level transient spectroscopy. However, it was found that the electron capture cross section of ELO is about four times greater than that of EL2. This characteristic served as the basis for the separation and quantitative investigation of ELO employing detailed capacitance transient measurements in conjunction with reference measurements on crystals grown without oxygen doping and containing only EL2.

Modeling phosphorus removal and recovery from anaerobic digester supernatant through struvite crystallization in a fluidized bed reactor.

PubMed

Rahaman, Md Saifur; Mavinic, Donald S; Meikleham, Alexandra; Ellis, Naoko

2014-03-15

The cost associated with the disposal of phosphate-rich sludge, the stringent regulations to limit phosphate discharge into aquatic environments, and resource shortages resulting from limited phosphorus rock reserves, have diverted attention to phosphorus recovery in the form of struvite (MAP: MgNH4PO4·6H2O) crystals, which can essentially be used as a slow release fertilizer. Fluidized-bed crystallization is one of the most efficient unit processes used in struvite crystallization from wastewater. In this study, a comprehensive mathematical model, incorporating solution thermodynamics, struvite precipitation kinetics and reactor hydrodynamics, was developed to illustrate phosphorus depletion through struvite crystal growth in a continuous, fluidized-bed crystallizer. A thermodynamic equilibrium model for struvite precipitation was linked to the fluidized-bed reactor model. While the equilibrium model provided information on supersaturation generation, the reactor model captured the dynamic behavior of the crystal growth processes, as well as the effect of the reactor hydrodynamics on the overall process performance. The model was then used for performance evaluation of the reactor, in terms of removal efficiencies of struvite constituent species (Mg, NH4 and PO4), and the average product crystal sizes. The model also determined the variation of species concentration of struvite within the crystal bed height. The species concentrations at two extreme ends (inlet and outlet) were used to evaluate the reactor performance. The model predictions provided a reasonably good fit with the experimental results for PO4-P, NH4-N and Mg removals. Predicated average crystal sizes also matched fairly well with the experimental observations. Therefore, this model can be used as a tool for performance evaluation and process optimization of struvite crystallization in a fluidized-bed reactor. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

Photonic crystal biosensor microplates with integrated fluid networks for high throughput applications in drug discovery

NASA Astrophysics Data System (ADS)

Choi, Charles J.; Chan, Leo L.; Pineda, Maria F.; Cunningham, Brian T.

2007-09-01

Assays used in pharmaceutical research require a system that can not only detect biochemical interactions with high sensitivity, but that can also perform many measurements in parallel while consuming low volumes of reagents. While nearly all label-free biosensor transducers to date have been interfaced with a flow channel, the liquid handling system is typically aligned and bonded to the transducer for supplying analytes to only a few sensors in parallel. In this presentation, we describe a fabrication approach for photonic crystal biosensors that utilizes nanoreplica molding to produce a network of sensors that are automatically self-aligned with a microfluidic network in a single process step. The sensor/fluid network is inexpensively produced on large surface areas upon flexible plastic substrates, allowing the device to be incorporated into standard format 96-well microplates. A simple flow scheme using hydrostatic pressure applied through a single control point enables immobilization of capture ligands upon a large number of sensors with 220 nL of reagent, and subsequent exposure of the sensors to test samples. A high resolution imaging detection instrument is capable of monitoring the binding within parallel channels at rates compatible with determining kinetic binding constants between the immobilized ligands and the analytes. The first implementation of this system is capable of monitoring the kinetic interactions of 11 flow channels at once, and a total of 88 channels within an integrated biosensor microplate in rapid succession. The system was initially tested to characterize the interaction between sets of proteins with known binding behavior.

Slippery surfaces of pitcher plants: Nepenthes wax crystals minimize insect attachment via microscopic surface roughness.

PubMed

Scholz, I; Bückins, M; Dolge, L; Erlinghagen, T; Weth, A; Hischen, F; Mayer, J; Hoffmann, S; Riederer, M; Riedel, M; Baumgartner, W

2010-04-01

Pitcher plants of the genus Nepenthes efficiently trap and retain insect prey in highly specialized leaves. Besides a slippery peristome which inhibits adhesion of insects they employ epicuticular wax crystals on the inner walls of the conductive zone of the pitchers to hamper insect attachment by adhesive devices. It has been proposed that the detachment of individual crystals and the resulting contamination of adhesive organs is responsible for capturing insects. However, our results provide evidence in favour of a different mechanism, mainly based on the stability and the roughness of the waxy surface. First, we were unable to detect a large quantity of crystal fragments on the pads of insects detached from mature pitcher surfaces of Nepenthes alata. Second, investigation of the pitcher surface by focused ion beam treatment showed that the wax crystals form a compact 3D structure. Third, atomic force microscopy of the platelet-shaped crystals revealed that the crystals are mechanically stable, rendering crystal detachment by insect pads unlikely. Fourth, the surface profile parameters of the wax layer showed striking similarities to those of polishing paper with low grain size. By measuring friction forces of insects on this artificial surface we demonstrate that microscopic roughness alone is sufficient to minimize insect attachment. A theoretical model shows that surface roughness within a certain length scale will prevent adhesion by being too rough for adhesive pads but not rough enough for claws.

Cyclic growth and dissolution of camphor crystals in quinary, ternary, and binary solutions: A study on crystal behavior in storm glass

NASA Astrophysics Data System (ADS)

Mitsuya, Takuro; Takahashi, Kyohei; Nagashima, Kazushige

2014-09-01

"Storm glass" is a hermetically sealed glass tube containing a solution of camphor. In 19th-century England, the pattern and quantity of the crystals were observed and interpreted as a weather forecasting tool. In the present study, the appearance of camphor crystals under cyclic temperature change was studied in three sample solutions, the storm glass solution (quinary system), camphor-ethanol-water (ternary system), and camphor-ethanol (binary system), to elucidate the effect of components in the storm glass on the appearance of camphor crystals. Equilibrium temperatures of camphor crystals as a function of the camphor concentration were also obtained to estimate the quantity of camphor crystals precipitated in the solutions. During the temperature cycles, the crystal height increased and decreased. The ranges (local maxima and minima) of crystal heights gradually decreased to approximately a constant range. Not only the crystal height but also the amplitude of the height variation in the quinary and ternary systems were much larger than those in the binary system, although the estimated weights of crystals precipitated in the quinary and ternary systems were smaller than that in the binary system. This fact resulted from the formation of dendrites in the quinary and ternary systems, which caused high porosity of sedimented crystals.

Ice fog and light snow measurements using a high resolution camera system

NASA Astrophysics Data System (ADS)

Kuhn, Thomas; Gultepe, Ismail

2016-04-01

In this presentation, measurements collected by the ice crystal imaging (ICI) probe employed during FRAM (Fog Remote Sensing and Modeling) project for the Winter of 2010-2011 in Yellowknife, NWT, Canada are analysed to study small ice crystal impact on aviation operations. Ice fog, diamond dust, and light snow form during cold weather conditions and they affect aviation operations through visibility and deposition over the surfaces. In addition, these events influence the local heat budget through radiative cooling. Prediction of these hydrometeors using models is difficult because of limited knowledge of the microphysical properties at the small size ranges. These phenomena need to be better represented in forecast and climate models and this can only be done using accurate measurements from ground-based instrumentation. Imaging of ice particles' properties can complement other in-situ measurements being collected routinely. The newly developed ICI probe, aimed at measuring ice fog and light snow particles, is presented here. The ICI probe samples ice particles through a vertical inlet, where a laser beam and photodetector detect ice crystals contained in the flow. The detected particles are then imaged with high optical resolution between 10 to 1000 micron size range. An illuminating LED flash and image capturing for measurements are triggered by the photodetector. The results suggested that the majority of ice particles during the two-month long campaign were small with sizes between 300 μm and 800 μm. During ice fog events, the size distribution measured had a lower mode diameter of 300 μm compared to the overall campaign average with mode at 500 μm. In this presentation, challenges and issues related to small ice crystals are described and their importance for aviation operations and climate change are discussed.

Determining the crystal structure of fibrinogen.

PubMed

Doolittle, R F

2004-05-01

Summary. I have enjoyed reading previous historical sketches that have appeared in Journal of Thrombosis and Haemostasis, and especially those by Ted Tuddenham on factor VIII and Bjorn Dahlback on activated protein C resistance. Like those authors, I have tried to capture some of the excitement-as well as the disappointments-that occurred along the way to a long-term goal.

Effective pore size and radius of capture for K(+) ions in K-channels.

PubMed

Moldenhauer, Hans; Díaz-Franulic, Ignacio; González-Nilo, Fernando; Naranjo, David

2016-02-02

Reconciling protein functional data with crystal structure is arduous because rare conformations or crystallization artifacts occur. Here we present a tool to validate the dimensions of open pore structures of potassium-selective ion channels. We used freely available algorithms to calculate the molecular contour of the pore to determine the effective internal pore radius (r(E)) in several K-channel crystal structures. r(E) was operationally defined as the radius of the biggest sphere able to enter the pore from the cytosolic side. We obtained consistent r(E) estimates for MthK and Kv1.2/2.1 structures, with r(E) = 5.3-5.9 Å and r(E) = 4.5-5.2 Å, respectively. We compared these structural estimates with functional assessments of the internal mouth radii of capture (r(C)) for two electrophysiological counterparts, the large conductance calcium activated K-channel (r(C) = 2.2 Å) and the Shaker Kv-channel (r(C) = 0.8 Å), for MthK and Kv1.2/2.1 structures, respectively. Calculating the difference between r(E) and r(C), produced consistent size radii of 3.1-3.7 Å and 3.6-4.4 Å for hydrated K(+) ions. These hydrated K(+) estimates harmonize with others obtained with diverse experimental and theoretical methods. Thus, these findings validate MthK and the Kv1.2/2.1 structures as templates for open BK and Kv-channels, respectively.

Liquid Crystal Droplet-Based Amplification of Microvesicles that are Shed by Mammalian Cells

PubMed Central

Tan, Lie Na; Wiepz, Gregory J.; Miller, Daniel S.; Shusta, Eric V.; Abbott, Nicholas L.

2014-01-01

Membrane-derived microvesicles (MVs) shed by cells are being investigated for their role in intercellular communication and as potential biomarkers of disease, but facile and sensitive methods for their analysis do not exist. Here we demonstrate new principles for analysis of MVs that use micrometer-sized droplets of liquid crystals (LCs) to amplify MVs that are selectively captured via antibody-mediated interactions. The influence of the MVs on the micrometer-sized LC droplets is shown to be readily quantified via use of flow cytometry. The methodology was developed using MVs shed by epidermoid carcinoma A431 cells that contain epidermal growth factor receptor (EGFR) as an important and representative example of MVs containing signaling proteins that play a central role in cancer. The LC droplets were found to be sensitive to 106 MVs containing EGFR (relative to controls using isotype control antibody) and to possess a dynamic range of response across several orders of magnitude. Because the 100 nm-sized MVs captured via EGFR generate an optical response in the micrometer-sized LC droplets that can be readily detected by flow cytometry in light scattering mode, the approach possesses significant advantages over direct detection of MVs by flow cytometry. The LC droplets are also substantially more sensitive than techniques such as immunoblotting because the lipid-component of the MVs serves to amplify the antibody-mediated capture of the target proteins in the MVs. Other merits of the approach are defined and discussed in the paper. PMID:24667742

SEM-EDS Observation of Structure Changes in Synthetic Zeolites Modified for CO2 Capture Needs

NASA Astrophysics Data System (ADS)

Wdowin, Magdalena; Panek, Rafal; Franus, Wojciech

Carbon dioxide is the main greenhouse gas and its amount still increase in the atmosphere. Air pollution and greenhouse effect caused by CO2 emission have become a major threat to the environment on a global scale. Carbon dioxide sequestration (i.e. capture and consequently geological storage) is the key strategy within the portfolio of actions to reduce CO2 emission to the atmosphere. The most costly stage is capture of CO2, therefore there is a need to search new solutions of this technology. For this purpose it was examined Na-X synthetic zeolites, that were silver and PEI (polyethyleneimine) activated. SEM-EDS investigation enable to find a changes in structure of this materials after treatment. Where, as a result of silver activation from EDS analysis it is seen that Ag occur in Na-X structure, what indicate a substitution of Ag2+ for Na+ ions in crystal lattice. Analysing wt% the EDS analysis has shown that zeolite Na-X after silver impregnation becomes Ag-X zeolite. For Na-X-PEI activated it is observed a distinct organic compound in the form of coatings on Na-X crystals causing a sealing of pores in tested zeolite. Further examination of these materials concern determination of surface properties and experiments of CO2 sorption. But SEM-EDS analysis enable to determine the extent of activation, what is very important in determination of optimal conditions for such treatment in order to obtain better sorbent of CO2.

Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

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

Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.

Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FEmore » meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.« less

Reconciling the Structural Attributes of Avian Antibodies*

PubMed Central

Conroy, Paul J.; Law, Ruby H. P.; Gilgunn, Sarah; Hearty, Stephen; Caradoc-Davies, Tom T.; Lloyd, Gordon; O'Kennedy, Richard J.; Whisstock, James C.

2014-01-01

Antibodies are high value therapeutic, diagnostic, biotechnological, and research tools. Combinatorial approaches to antibody discovery have facilitated access to unique antibodies by surpassing the diversity limitations of the natural repertoire, exploitation of immune repertoires from multiple species, and tailoring selections to isolate antibodies with desirable biophysical attributes. The V-gene repertoire of the chicken does not utilize highly diverse sequence and structures, which is in stark contrast to the mechanism employed by humans, mice, and primates. Recent exploitation of the avian immune system has generated high quality, high affinity antibodies to a wide range of antigens for a number of therapeutic, diagnostic and biotechnological applications. Furthermore, extensive examination of the amino acid characteristics of the chicken repertoire has provided significant insight into mechanisms employed by the avian immune system. A paucity of avian antibody crystal structures has limited our understanding of the structural consequences of these uniquely chicken features. This paper presents the crystal structure of two chicken single chain fragment variable (scFv) antibodies generated from large libraries by phage display against important human antigen targets, which capture two unique CDRL1 canonical classes in the presence and absence of a non-canonical disulfide constrained CDRH3. These structures cast light on the unique structural features of chicken antibodies and contribute further to our collective understanding of the unique mechanisms of diversity and biochemical attributes that render the chicken repertoire of particular value for antibody generation. PMID:24737329

Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

DOE PAGES

Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.; ...

2016-04-25

Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FEmore » meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.« less

A Study of Drop-Microstructured Surface Interactions during Dropwise Condensation with Quartz Crystal Microbalance

PubMed Central

Su, Junwei; Charmchi, Majid; Sun, Hongwei

2016-01-01

Dropwise condensation (DWC) on hydrophobic surfaces is attracting attention for its great potential in many industrial applications, such as steam power plants, water desalination, and de-icing of aerodynamic surfaces, to list a few. The direct dynamic characterization of liquid/solid interaction can significantly accelerate the progress toward a full understanding of the thermal and mass transport mechanisms during DWC processes. This work reports a novel Quartz Crystal Microbalance (QCM) based method that can quantitatively analyze the interaction between water droplets and micropillar surfaces during different condensation states such as filmwise, Wenzel, and partial Cassie states. A combined nanoimprinting lithography and chemical surface treatment approach was utilized to fabricate the micropillar based superhydrophobic and superhydrophilic surfaces on the QCM substrates. The normalized frequency shift of the QCM device together with the microscopic observation of the corresponding drop motion revealed the droplets growth and their coalescence processes and clearly demonstrated the differences between the three aforementioned condensation states. In addition, the transition between Cassie and Wenzel states was successfully captured by this method. The newly developed QCM system provides a valuable tool for the dynamic characterization of different condensation processes. PMID:27739452

A phenomenological creep model for nickel-base single crystal superalloys at intermediate temperatures

NASA Astrophysics Data System (ADS)

Gao, Siwen; Wollgramm, Philip; Eggeler, Gunther; Ma, Anxin; Schreuer, Jürgen; Hartmaier, Alexander

2018-07-01

For the purpose of good reproduction and prediction of creep deformation of nickel-base single crystal superalloys at intermediate temperatures, a phenomenological creep model is developed, which accounts for the typical γ/γ‧ microstructure and the individual thermally activated elementary deformation processes in different phases. The internal stresses from γ/γ‧ lattice mismatch and deformation heterogeneity are introduced through an efficient method. The strain hardening, the Orowan stress, the softening effect due to dislocation climb along γ/γ‧ interfaces and the formation of < 112> dislocation ribbons, and the Kear–Wilsdorf-lock effect as key factors in the main flow rules are formulated properly. By taking the cube slip in < 110> \\{100\\} slip systems and < 112> \\{111\\} twinning mechanisms into account, the creep behavior for [110] and [111] loading directions are well captured. Without specific interaction and evolution of dislocations, the simulations of this model achieve a good agreement with experimental creep results and reproduce temperature, stress and crystallographic orientation dependences. It can also be used as the constitutive relation at material points in finite element calculations with complex boundary conditions in various components of superalloys to predict creep behavior and local stress distributions.

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

Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

We developed a framework for dislocation-based viscoplasticity and dynamic ductile failure to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. Furthermore, an averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Inmore » addition, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in [J. Wilkerson and K. Ramesh. A dynamic void growth model governed by dislocation kinetics. J. Mech. Phys. Solids, 70:262–280, 2014.], which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.« less

Bacteria Inside Semiconductors as Potential Sensor Elements: Biochip Progress

PubMed Central

Sah, Vasu R.; Baier, Robert E.

2014-01-01

It was discovered at the beginning of this Century that living bacteria—and specifically the extremophile Pseudomonas syzgii—could be captured inside growing crystals of pure water-corroding semiconductors—specifically germanium—and thereby initiated pursuit of truly functional “biochip-based” biosensors. This observation was first made at the inside ultraviolet-illuminated walls of ultrapure water-flowing semiconductor fabrication facilities (fabs) and has since been, not as perfectly, replicated in simpler flow cell systems for chip manufacture, described here. Recognizing the potential importance of these adducts as optical switches, for example, or probes of metabolic events, the influences of the fabs and their components on the crystal nucleation and growth phenomena now identified are reviewed and discussed with regard to further research needs. For example, optical beams of current photonic circuits can be more easily modulated by integral embedded cells into electrical signals on semiconductors. Such research responds to a recently published Grand Challenge in ceramic science, designing and synthesizing oxide electronics, surfaces, interfaces and nanoscale structures that can be tuned by biological stimuli, to reveal phenomena not otherwise possible with conventional semiconductor electronics. This short review addresses only the fabrication facilities' features at the time of first production of these potential biochips. PMID:24961215

Bacteria inside semiconductors as potential sensor elements: biochip progress.

PubMed

Sah, Vasu R; Baier, Robert E

2014-06-24

It was discovered at the beginning of this Century that living bacteria-and specifically the extremophile Pseudomonas syzgii-could be captured inside growing crystals of pure water-corroding semiconductors-specifically germanium-and thereby initiated pursuit of truly functional "biochip-based" biosensors. This observation was first made at the inside ultraviolet-illuminated walls of ultrapure water-flowing semiconductor fabrication facilities (fabs) and has since been, not as perfectly, replicated in simpler flow cell systems for chip manufacture, described here. Recognizing the potential importance of these adducts as optical switches, for example, or probes of metabolic events, the influences of the fabs and their components on the crystal nucleation and growth phenomena now identified are reviewed and discussed with regard to further research needs. For example, optical beams of current photonic circuits can be more easily modulated by integral embedded cells into electrical signals on semiconductors. Such research responds to a recently published Grand Challenge in ceramic science, designing and synthesizing oxide electronics, surfaces, interfaces and nanoscale structures that can be tuned by biological stimuli, to reveal phenomena not otherwise possible with conventional semiconductor electronics. This short review addresses only the fabrication facilities' features at the time of first production of these potential biochips.

Creating physically-based three-dimensional microstructures: Bridging phase-field and crystal plasticity models.

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

Lim, Hojun; Owen, Steven J.; Abdeljawad, Fadi F.

In order to better incorporate microstructures in continuum scale models, we use a novel finite element (FE) meshing technique to generate three-dimensional polycrystalline aggregates from a phase field grain growth model of grain microstructures. The proposed meshing technique creates hexahedral FE meshes that capture smooth interfaces between adjacent grains. Three dimensional realizations of grain microstructures from the phase field model are used in crystal plasticity-finite element (CP-FE) simulations of polycrystalline a -iron. We show that the interface conformal meshes significantly reduce artificial stress localizations in voxelated meshes that exhibit the so-called "wedding cake" interfaces. This framework provides a direct linkmore » between two mesoscale models - phase field and crystal plasticity - and for the first time allows mechanics simulations of polycrystalline materials using three-dimensional hexahedral finite element meshes with realistic topological features.« less

Search for double beta processes in {sup 106}Cd with enriched {sup 106}CdWO{sub 4} crystal scintillator in coincidence with four crystals HPGe detector

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

Danevich, F. A., E-mail: danevich@kinr.kiev.ua; Chernyak, D. M.; Mokina, V. M.

2015-10-28

A radiopure cadmium tungstate crystal scintillator, enriched in {sup 106}Cd ({sup 106}CdWO{sub 4}), was used to search for double beta decay processes in {sup 106}Cd in coincidence with an ultra-low background set-up containing four high purity germanium (HPGe) detectors in a single cryostat. The experiment has been completed after 13085 h of data taking. New improved limits on most of the double beta processes in {sup 106}Cd have been set on the level of 10{sup 20}−10{sup 21} yr. Tn particular, the half-life limit on the two neutrino electron capture with positron emission, T{sub 1/2} ≥ 1.8 × 10{sup 21} yr, reachedmore » the region of theoretical predictions.« less

Light-activated Gigahertz Ferroelectric Domain Dynamics

DOE PAGES

Akamatsu, Hirofumii; Yuan, Yakun; Stoica, Vladimir A.; ...

2018-02-26

Using time- and spatially-resolved hard X-ray diffraction microscopy, the striking structural and electrical dynamics upon optical excitation of a single crystal of BaTiO 3 are simultaneously captured on sub-nanoseconds and nanoscale within individual ferroelectric domains and across walls. A large emergent photo-induced electric field of up to 20 million volts per meter is discovered in a surface layer of the crystal, which then drives polarization and lattice dynamics that are dramatically distinct in a surface layer versus bulk regions. A dynamical phase-field modeling (DPFM) method is developed that reveals the microscopic origin of these dynamics, leading to GHz polarization andmore » elastic waves travelling in the crystal with sonic speeds and spatially varying frequencies. The advance of spatiotemporal imaging and dynamical modeling tools open opportunities of disentangling ultrafast processes in complex mesoscale structures such as ferroelectric domains« less

Extreme Confinement of Xenon by Cryptophane-111 in the Solid State

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

Joseph, Akil I.; Lapidus, Saul H.; Kane, Christopher M.

2014-12-11

Solids that sorb, capture and/or store the heavier noble gases are of interest because of their potential for transformative rare gas separation/production, storage, or recovery technologies. Herein, we report the isolation, crystal structures, and thermal stabilities of a series of xenon and krypton clathrates of (±)-cryptophane-111 (111). One trigonal crystal form, Xe@111•y(solvent), is exceptionally stable, retaining xenon at temperatures of up to about 300 °C. The high kinetic stability is attributable not only to the high xenon affinity and cage-like nature of the host, but also to the crystal packing of the clathrate, wherein each window of the molecular containermore » is blocked by the bridges of adjacent containers, effectively imprisoning the noble gas in the solid state. The results highlight the potential of discrete molecule materials exhibiting intrinsic microcavities or zero-dimensional pores.« less

OPTIMIZATION OF VIRTUAL FRISCH-GRID CdZnTe DETECTOR DESIGNS FOR IMAGING AND SPECTROSCOPY OF GAMMA RAYS.

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

BOLOTNIKOV,A.E.; ABDUL-JABBAR, N.M.; BABALOLA, S.

2007-08-21

In the past, various virtual Frisch-grid designs have been proposed for cadmium zinc telluride (CZT) and other compound semiconductor detectors. These include three-terminal, semi-spherical, CAPture, Frisch-ring, capacitive Frisch-grid and pixel devices (along with their modifications). Among them, the Frisch-grid design employing a non-contacting ring extended over the entire side surfaces of parallelepiped-shaped CZT crystals is the most promising. The defect-free parallelepiped-shaped crystals with typical dimensions of 5x5{approx}12 mm3 are easy to produce and can be arranged into large arrays used for imaging and gamma-ray spectroscopy. In this paper, we report on further advances of the virtual Frisch-grid detector design formore » the parallelepiped-shaped CZT crystals. Both the experimental testing and modeling results are described.« less

Macromolecular Topography Leaps into the Digital Age

NASA Technical Reports Server (NTRS)

Lovelace, J.; Bellamy, H.; Snell, E. H.; Borgstahl, G.

2003-01-01

A low-cost, real-time digital topography system is under development which will replace x-ray film and nuclear emulsion plates. The imaging system is based on an inexpensive surveillance camera that offers a 1000x1000 array of 8 im square pixels, anti-blooming circuitry, and very quick read out. Currently, the system directly converts x-rays to an image with no phosphor. The system is small and light and can be easily adapted to work with other crystallographic equipment. Preliminary images have been acquired of cubic insulin at the NSLS x26c beam line. NSLS x26c was configured for unfocused monochromatic radiation. Six reflections were collected with stills spaced from 0.002 to 0.001 degrees apart across the entire oscillation range that the reflections were in diffracting condition. All of the reflections were rotated to the vertical to reduce Lorentz and beam related effects. This particular CCD is designed for short exposure applications (much less than 1 sec) and so has a relatively high dark current leading to noisy raw images. The images are processed to remove background and other system noise with a multi-step approach including the use of wavelets, histogram, and mean window filtering. After processing, animations were constructed with the corresponding reflection profile to show the diffraction of the crystal volume vs. the oscillation angle as well as composite images showing the parts of the crystal with the strongest diffraction for each reflection. The final goal is to correlate features seen in reflection profiles captured with fine phi slicing to those seen in the topography images. With this development macromolecular topography finally comes into the digital age.

Phase-field study of grain boundary tracking behavior in crack-seal microstructures

NASA Astrophysics Data System (ADS)

Ankit, Kumar; Nestler, Britta; Selzer, Michael; Reichardt, Mathias

2013-12-01

In order to address the growth of crystals in veins, a multiphase-field model is used to capture the dynamics of crystals precipitating from a super-saturated solution. To gain a detailed understanding of the polycrystal growth phenomena in veins, we investigate the influence of various boundary conditions on crystal growth. In particular, we analyze the formation of vein microstructures resulting from the free growth of crystals as well as crack-sealing processes. We define the crystal symmetry by considering the anisotropy in surface energy to simulate crystals with flat facets and sharp corners. The resulting growth competition of crystals with different orientations is studied to deduce a consistent orientation selection rule in the free-growth regime. Using crack-sealing simulations, we correlate the grain boundary tracking behavior depending on the relative rate of crack opening, opening trajectory, initial grain size, and wall roughness. Further, we illustrate how these parameters induce the microstructural transition between blocky (crystals growing anisotropically) to fibrous morphology (isotropic) and formation of grain boundaries. The phase-field simulations of crystals in the free-growth regime (in 2D and 3D) indicate that the growth or consumption of a crystal is dependent on the orientation difference with neighboring crystals. The crack-sealing simulation results (in 2D and 3D) reveal that crystals grow isotropically and grain boundaries track the opening trajectory if the wall roughness is high, opening increments are small, and crystals touch the wall before the next crack increment starts. Further, we find that within the complete crack-seal regime, anisotropy in surface energy results in the formation of curved/oscillating grain boundaries (instead of straight) when the crack-opening velocity is increased and wall roughness is not sufficiently high. Additionally, the overall capability of phase-field method to simulate large-scale polycrystal growth in veins (in 3D) is demonstrated enumerating the main advantages of adopting the novel approach.

Quantifying dynamic rheology, phase interactions and strain localisation in deforming three phase magmas using high-speed x-ray tomography

NASA Astrophysics Data System (ADS)

Dobson, Katherine; Pistone, Mattia; Fife, Julie; Cordonnier, Benoit; Blundy, Jon; Dingwell, Don; Lee, Peter

2015-04-01

The crystal and bubble cargoes of magmas are critical to controlling magma mobility and rheology. These cargos vary in both time and space and the local, and bulk, rheological behaviour are correspondingly heterogeneous. Tracking how these heterogeneous cargoes evolve, and how crystals and bubbles interact with each other in deforming systems is a critical challenge in volcanology, as these processes control both the chemical and physical evolution of the magma, including phenomena such as melt-crystal segregation, strain localisation, and fragmentation. The only methodology available to track these processes in real time, and at the scale of individual melt-crystal-bubble interactions is high speed x-ray tomography. This non-destructive imaging technique allows the rapid acquisition of sequential 3D images that capture the physical, and to some degree chemical, microstructure of the sample during a deformation cycle. We utilise in situ tomographic methods developed in materials science to perfume magmatic deformation experiments on synthesized three phase systems at magmatic temperatures. Through a novel combination of a high temperature laser heating system [1] in situ micro-precision deformation apparatus [2] and the temporal and spatial resolution available at the TOMCAT beam line at the Swiss Light Source synchrotron facility we performed in situ observations of the microstructural evolution of a synthesized anhydrous borosilicate melt seeded with a variable concentration of non-reactive rutile crystals and air bubbles (30-70 volume %). The experiments were conducted at 800-1000C, under constant deformation rates of 0.25-5.00 microns/second. Each 3D image has 2D and 3D spatial resolution of approximately 3 microns per pixel, and each 3D image took ~3 seconds to acquire. Here we present this innovative high speed, high temperature, syn-deformation tomographic data , and show how it can be used to trace the location and local distribution of each crystal and bubble within a small volume cylindrical experimental charge (3mm diameter, 5mm length) undergoing shear along a single vertical plane. By qualitative and quantitative analysis of the sequential images collected over 5-15 minute deformation cycles we track the local bubble, crystal and melt concentrations on a range of spatial scales. From this we calculate a spatially heterogeneous and dynamic local viscosity [3] and assess our results against recently developed 3-phase rheological models [4]. We will present how this real time 4D information can be used to quantify the dynamics of magma motion, discuss the implications of spatially and temporally variable rheological behaviours, and show how this novel technique can be integrated with other volcanology methods to improve our understanding of volcanic and magmatic processes. [1] Fife et al. 2012. J. Synchrotron Rad. 19, 352-358 [2] Kareh et al. 2014 Nature Comm. 5 4464. [3] Giordano, et al. 2008 EPSL 271 123-134. [4] Truby et al. 2015 P.Roy.Soc.A. 2015471 20140557

Shape evolution of a melting nonspherical particle

NASA Astrophysics Data System (ADS)

Kintea, Daniel M.; Hauk, Tobias; Roisman, Ilia V.; Tropea, Cameron

2015-09-01

In this study melting of irregular ice crystals was observed in an acoustic levitator. The evolution of the particle shape is captured using a high-speed video system. Several typical phenomena have been discovered: change of the particle shape, appearance of a capillary flow of the melted liquid on the particle surface leading to liquid collection at the particle midsection (where the interface curvature is smallest), and appearance of sharp cusps at the particle tips. No such phenomena can be observed during melting of spherical particles. An approximate theoretical model is developed which accounts for the main physical phenomena associated with melting of an irregular particle. The agreement between the theoretical predictions for the melting time, for the evolution of the particle shape, and the corresponding experimental data is rather good.

Analysis on the Effect of Sensor Views in Image Reconstruction Produced by Optical Tomography System Using Charge-Coupled Device.

PubMed

Jamaludin, Juliza; Rahim, Ruzairi Abdul; Fazul Rahiman, Mohd Hafiz; Mohd Rohani, Jemmy

2018-04-01

Optical tomography (OPT) is a method to capture a cross-sectional image based on the data obtained by sensors, distributed around the periphery of the analyzed system. This system is based on the measurement of the final light attenuation or absorption of radiation after crossing the measured objects. The number of sensor views will affect the results of image reconstruction, where the high number of sensor views per projection will give a high image quality. This research presents an application of charge-coupled device linear sensor and laser diode in an OPT system. Experiments in detecting solid and transparent objects in crystal clear water were conducted. Two numbers of sensors views, 160 and 320 views are evaluated in this research in reconstructing the images. The image reconstruction algorithms used were filtered images of linear back projection algorithms. Analysis on comparing the simulation and experiments image results shows that, with 320 image views giving less area error than 160 views. This suggests that high image view resulted in the high resolution of image reconstruction.

Research on structural integration of thermodynamic system for double reheat coal-fired unit with CO2 capture

NASA Astrophysics Data System (ADS)

Wang, Lanjing; Shao, Wenjing; Wang, Zhiyue; Fu, Wenfeng; Zhao, Wensheng

2018-02-01

Taking the MEA chemical absorption carbon capture system with 85% of the carbon capture rate of a 660MW ultra-super critical unit as an example,this paper puts forward a new type of turbine which dedicated to supply steam to carbon capture system. The comparison of the thermal systems of the power plant under different steam supply schemes by using the EBSILON indicated optimal extraction scheme for Steam Extraction System in Carbon Capture System. The results show that the cycle heat efficiency of the unit introduced carbon capture turbine system is higher than that of the usual scheme without it. With the introduction of the carbon capture turbine, the scheme which extracted steam from high pressure cylinder’ s steam input point shows the highest cycle thermal efficiency. Its indexes are superior to other scheme, and more suitable for existing coal-fired power plant integrated post combustion carbon dioxide capture system.

Study of Te Inclusion and Related Point Defects in THM-Growth CdMnTe Crystal

NASA Astrophysics Data System (ADS)

Mao, Yifei; Zhang, Jijun; Min, Jiahua; Liang, Xiaoyan; Huang, Jian; Tang, Ke; Ling, Liwen; Li, Ming; Zhang, Ying; Wang, Linjun

2018-02-01

This study establishes a model for describing the interaction between Te inclusions, dislocations and point defects in CdMnTe crystals. The role of the complex environment surrounding the formation of Te inclusions was analyzed. Images of Te inclusions captured by scanning electron microscope and infrared microscope were used to observe the morphology of Te inclusions. The morphology of Te inclusions is discussed in light of crystallography, from the crystal growth temperature at 900°C to the melting temperature of Te inclusions using the traveling heater method. The dislocation nets around Te inclusions were calculated by counting lattice mismatches between the Te inclusions and the bulk CdMnTe at 470°C. The point defects of Te antisites were found to be gathered around Te inclusions, with dislocation climb during the cooling phase of crystal growth from 470°C to room temperature. The Te inclusions, dislocation nets and surrounding point defects are considered to be an entirety for evaluating the effect of Te inclusions on CdMnTe detector performance, and an effective mobility-lifetime product (μτ) was obtained.

Measurements of high energy loss rates of fast highly charged U ions channeled in thin silicon crystals

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

Ray, C.; Chevallier, M.; Dauvergne, D.

2011-07-01

The results of two channeling experiments show that highly charged heavy ions at moderate velocities (v<

Current and Future Research at DANCE

NASA Astrophysics Data System (ADS)

Jandel, M.; Baramsai, B.; Bredeweg, T. A.; Couture, A.; Hayes, A.; Kawano, T.; Mosby, S.; Rusev, G.; Stetcu, I.; Taddeucci, T. N.; Talou, P.; Ullmann, J. L.; Walker, C. L.; Wilhelmy, J. B.

2015-05-01

An overview of the current experimental program on measurements of neutron capture and neutron induced fission at the Detector for Advanced Neutron Capture Experiments (DANCE) is presented. Three major projects are currently under way: 1) high precision measurements of neutron capture cross sections on Uranium isotopes, 2) research aimed at studies of the short-lived actinide isomer production in neutron capture on 235U and 3) measurements of correlated data of fission observables. New projects include developments of auxiliary detectors to improve the capability of DANCE. We are building a compact, segmented NEUtron detector Array at DANCE (NEUANCE), which will be installed in the central cavity of the DANCE array. It will provide experimental information on prompt fission neutrons in coincidence with the prompt fission gamma-rays measured by 160 BaF2 crystals of DANCE. Unique correlated data will be obtained for neutron capture and neutron-induced fission using the DANCE-NEUANCE experimental set up in the future.

40 CFR 63.9322 - How do I determine the emission capture system efficiency?

Code of Federal Regulations, 2011 CFR

2011-07-01

... capture system efficiency? 63.9322 Section 63.9322 Protection of Environment ENVIRONMENTAL PROTECTION... capture system efficiency? You must use the procedures and test methods in this section to determine capture efficiency as part of the performance test required by § 63.9310. (a) Assuming 100 percent capture...

40 CFR 63.9322 - How do I determine the emission capture system efficiency?

Code of Federal Regulations, 2010 CFR

2010-07-01

... capture system efficiency? 63.9322 Section 63.9322 Protection of Environment ENVIRONMENTAL PROTECTION... capture system efficiency? You must use the procedures and test methods in this section to determine capture efficiency as part of the performance test required by § 63.9310. (a) Assuming 100 percent capture...

Native MS and ECD Characterization of a Fab-Antigen Complex May Facilitate Crystallization for X-ray Diffraction

NASA Astrophysics Data System (ADS)

Zhang, Ying; Cui, Weidong; Wecksler, Aaron T.; Zhang, Hao; Molina, Patricia; Deperalta, Galahad; Gross, Michael L.

2016-07-01

Native mass spectrometry (MS) and top-down electron-capture dissociation (ECD) combine as a powerful approach for characterizing large proteins and protein assemblies. Here, we report their use to study an antibody Fab (Fab-1)-VEGF complex in its near-native state. Native ESI with analysis by FTICR mass spectrometry confirms that VEGF is a dimer in solution and that its complex with Fab-1 has a binding stoichiometry of 2:2. Applying combinations of collisionally activated dissociation (CAD), ECD, and infrared multiphoton dissociation (IRMPD) allows identification of flexible regions of the complex, potentially serving as a guide for crystallization and X-ray diffraction analysis.

Synthesis of trevorite to capture Tc

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

Tsui, Colin

2011-09-02

Spinel containing technetium can be used to prevent Tc volatilization during vitrification of radioactive waste. Spinel dissolves in glass at elevated temperatures. This study focuses on the synthesis of spinel and the retention of rhenium, a nonradioactive surrogate for Tc in the crystals. To produce trevorite, a nickel-iron spinel (NiFe2O4), Fe and Ni nitrates were mixed with alkali nitrates along with Al(OH)3 and heated to 500 to 800°C. The trevorite content in samples (up to 40 mass%) was measured with x-ray diffraction. Viable samples were rerun with KReO4. Scanning electron microscopy-energy dispersive spectroscopy detected that Re became partly immobilized inmore » spinel-forming crystals.« less

Imaging of Endogenous Metabolites of Plant Leaves by Mass Spectrometry Based on Laser Activated Electron Tunneling.

PubMed

Huang, Lulu; Tang, Xuemei; Zhang, Wenyang; Jiang, Ruowei; Chen, Disong; Zhang, Juan; Zhong, Hongying

2016-04-07

A new mass spectrometric imaging approach based on laser activated electron tunneling (LAET) was described and applied to analysis of endogenous metabolites of plant leaves. LAET is an electron-directed soft ionization technique. Compressed thin films of semiconductor nanoparticles of bismuth cobalt zinc oxide were placed on the sample plate for proof-of-principle demonstration because they can not only absorb ultraviolet laser but also have high electron mobility. Upon laser irradiation, electrons are excited from valence bands to conduction bands. With appropriate kinetic energies, photoexcited electrons can tunnel away from the barrier and eventually be captured by charge deficient atoms present in neutral molecules. Resultant unpaired electron subsequently initiates specific chemical bond cleavage and generates ions that can be detected in negative ion mode of the mass spectrometer. LAET avoids the co-crystallization process of routinely used organic matrix materials with analyzes in MALDI (matrix assisted-laser desorption ionization) analysis. Thus uneven distribution of crystals with different sizes and shapes as well as background peaks in the low mass range resulting from matrix molecules is eliminated. Advantages of LAET imaging technique include not only improved spatial resolution but also photoelectron capture dissociation which produces predictable fragment ions.

40 CFR 63.3554 - How do I determine the emission capture system efficiency?

Code of Federal Regulations, 2011 CFR

2011-07-01

... system efficiency? 63.3554 Section 63.3554 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Requirements for the Control Efficiency/outlet Concentration Option § 63.3554 How do I determine the emission capture system efficiency? The capture efficiency of your emission capture system must be 100 percent to...

40 CFR 63.3554 - How do I determine the emission capture system efficiency?

Code of Federal Regulations, 2010 CFR

2010-07-01

... system efficiency? 63.3554 Section 63.3554 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Requirements for the Control Efficiency/outlet Concentration Option § 63.3554 How do I determine the emission capture system efficiency? The capture efficiency of your emission capture system must be 100 percent to...

A thermodynamic framework for the study of crystallization in polymers

NASA Astrophysics Data System (ADS)

Rao, I. J.; Rajagopal, K. R.

In this paper, we present a new thermodynamic framework within the context of continuum mechanics, to predict the behavior of crystallizing polymers. The constitutive models that are developed within this thermodynamic setting are able to describe the main features of the crystallization process. The model is capable of capturing the transition from a fluid like behavior to a solid like behavior in a rational manner without appealing to any adhoc transition criterion. The anisotropy of the crystalline phase is built into the model and the specific anisotropy of the crystalline phase depends on the deformation in the melt. These features are incorporated into a recent framework that associates different natural configurations and material symmetries with distinct microstructural features within the body that arise during the process under consideration. Specific models are generated by choosing particular forms for the internal energy, entropy and the rate of dissipation. Equations governing the evolution of the natural configurations and the rate of crystallization are obtained by maximizing the rate of dissipation, subject to appropriate constraints. The initiation criterion, marking the onset of crystallization, arises naturally in this setting in terms of the thermodynamic functions. The model generated within such a framework is used to simulate bi-axial extension of a polymer film that is undergoing crystallization. The predictions of the theory that has been proposed are consistent with the experimental results (see [28] and [7]).

41 CFR 301-71.303 - What data must we capture in our travel advance accounting system?

Code of Federal Regulations, 2010 CFR

2010-07-01

... capture in our travel advance accounting system? 301-71.303 Section 301-71.303 Public Contracts and Property Management Federal Travel Regulation System TEMPORARY DUTY (TDY) TRAVEL ALLOWANCES AGENCY... must we capture in our travel advance accounting system? You must capture the following data: (a) The...

Crystal growth and annealing for minimized residual stress

DOEpatents

Gianoulakis, Steven E.

2002-01-01

A method and apparatus for producing crystals that minimizes birefringence even at large crystal sizes, and is suitable for production of CaF.sub.2 crystals. The method of the present invention comprises annealing a crystal by maintaining a minimal temperature gradient in the crystal while slowly reducing the bulk temperature of the crystal. An apparatus according to the present invention includes a thermal control system added to a crystal growth and annealing apparatus, wherein the thermal control system allows a temperature gradient during crystal growth but minimizes the temperature gradient during crystal annealing.

Numerical study of slip system activity and crystal lattice rotation under wedge nanoindents in tungsten single crystals

NASA Astrophysics Data System (ADS)

Volz, T.; Schwaiger, R.; Wang, J.; Weygand, S. M.

2018-05-01

Tungsten is a promising material for plasma facing components in future nuclear fusion reactors. In the present work, we numerically investigate the deformation behavior of unirradiated tungsten (a body-centered cubic (bcc) single crystal) underneath nanoindents. A finite element (FE) model is presented to simulate wedge indentation. Crystal plasticity finite element (CPFE) simulations were performed for face-centered and body-centered single crystals accounting for the slip system family {110} <111> in the bcc crystal system and the {111} <110> slip family in the fcc system. The 90° wedge indenter was aligned parallel to the [1 ¯01 ]-direction and indented the crystal in the [0 1 ¯0 ]-direction up to a maximum indentation depth of 2 µm. In both, the fcc and bcc single crystals, the activity of slip systems was investigated and compared. Good agreement with the results from former investigations on fcc single crystals was observed. Furthermore, the in-plane lattice rotation in the material underneath an indent was determined and compared for the fcc and bcc single crystals.

Effective pore size and radius of capture for K+ ions in K-channels

PubMed Central

Moldenhauer, Hans; Díaz-Franulic, Ignacio; González-Nilo, Fernando; Naranjo, David

2016-01-01

Reconciling protein functional data with crystal structure is arduous because rare conformations or crystallization artifacts occur. Here we present a tool to validate the dimensions of open pore structures of potassium-selective ion channels. We used freely available algorithms to calculate the molecular contour of the pore to determine the effective internal pore radius (rE) in several K-channel crystal structures. rE was operationally defined as the radius of the biggest sphere able to enter the pore from the cytosolic side. We obtained consistent rE estimates for MthK and Kv1.2/2.1 structures, with rE = 5.3–5.9 Å and rE = 4.5–5.2 Å, respectively. We compared these structural estimates with functional assessments of the internal mouth radii of capture (rC) for two electrophysiological counterparts, the large conductance calcium activated K-channel (rC = 2.2 Å) and the Shaker Kv-channel (rC = 0.8 Å), for MthK and Kv1.2/2.1 structures, respectively. Calculating the difference between rE and rC, produced consistent size radii of 3.1–3.7 Å and 3.6–4.4 Å for hydrated K+ ions. These hydrated K+ estimates harmonize with others obtained with diverse experimental and theoretical methods. Thus, these findings validate MthK and the Kv1.2/2.1 structures as templates for open BK and Kv-channels, respectively. PMID:26831782

A Simple Inexpensive Bridgman-Stockbarger Crystal Growth System for Organic Materials

NASA Technical Reports Server (NTRS)

Choi, J.; Aggarwal, M. D.; Wang, W. S.; Metzl, R.; Bhat, K.; Penn, Benjamin G.; Frazier, Donald O.

1996-01-01

Direct observation of solid-liquid interface is important for the directional solidification to determine the desired interface shape by controlling the growth parameters. To grow good quality single crystals of novel organic nonlinear optical materials, a simple inexpensive Bridgman-Stockbarger (BS) crystal growth system has been designed and fabricated. Two immiscible liquids have been utilized to create two zones for this crystal growth system. Bulk single crystals of benzil derivative and n-salicylidene-aniline have been successfully grown in this system. The optimum lowering rate has been found to be 0.1 mm/h for the flat interface. Results on the crystal growth and other parameters of the grown crystals are presented.

Simulation of integrated pollutant removal (IPR) water-treatment system using ASPEN Plus

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

Harendra, Sivaram; Oryshcyhn, Danylo; Ochs, Thomas

2013-01-01

Capturing CO2 from fossil fuel combustion provides an opportunity for tapping a significant water source which can be used as service water for a capture-ready power plant and its peripherals. Researchers at the National Energy Technology Laboratory (NETL) have patented a process—Integrated Pollutant Removal (IPR®)—that uses off-the-shelf technology to produce a sequestration ready CO2 stream from an oxy-combustion power plant. Water condensed from oxy-combustion flue gas via the IPR system has been analyzed for composition and an approach for its treatment—for in-process reuse and for release—has been outlined. A computer simulation model in ASPEN Plus has been developed to simulatemore » water treatment of flue gas derived wastewater from IPR systems. At the field installation, water condensed in the IPR process contains fly ash particles, sodium (largely from spray-tower buffering) and sulfur species as well as heavy metals, cations, and anions. An IPR wastewater treatment system was modeled using unit operations such as equalization, coagulation and flocculation, reverse osmosis, lime softening, crystallization, and pH correction. According to the model results, 70% (by mass) of the inlet stream can be treated as pure water, the other 20% yields as saleable products such as gypsum (CaSO4) and salt (NaCl) and the remaining portion is the waste. More than 99% of fly ash particles are removed in the coagulation and flocculation unit and these solids can be used as filler materials in various applications with further treatment. Results discussed relate to a slipstream IPR installation and are verified experimentally in the coagulation/flocculation step.« less

Accessing Colony Boundary Strengthening of Fully Lamellar TiAl Alloys via Micromechanical Modeling

PubMed Central

Bargmann, Swantje

2017-01-01

In this article, we present a strategy to decouple the relative influences of colony, domain and lamella boundary strengthening in fully lamellar titanium aluminide alloys, using a physics-based crystal plasticity modeling strategy. While lamella and domain boundary strengthening can be isolated in experiments using polysynthetically twinned crystals or mircomechanical testing, colony boundary strengthening can only be investigated in specimens in which all three strengthening mechanisms act simultaneously. Thus, isolating the colony boundary strengthening Hall–Petch coefficient KC experimentally requires a sufficient number of specimens with different colony sizes λC but constant lamella thickness λL and domain size λD, difficult to produce even with sophisticated alloying techniques. The here presented crystal plasticity model enables identification of the colony boundary strengthening coefficient KC as a function of lamella thickness λL. The constitutive description is based on the model of a polysynthetically twinned crystal which is adopted to a representative volume element of a fully lamellar microstructure. In order to capture the micro yield and subsequent micro hardening in weakly oriented colonies prior to macroscopic yield, the hardening relations of the adopted model are revised and calibrated against experiments with polysynthetically twinned crystals for plastic strains up to 15%. PMID:28771218

Accessing Colony Boundary Strengthening of Fully Lamellar TiAl Alloys via Micromechanical Modeling.

PubMed

Schnabel, Jan Eike; Bargmann, Swantje

2017-08-03

In this article, we present a strategy to decouple the relative influences of colony, domain and lamella boundary strengthening in fully lamellar titanium aluminide alloys, using a physics-based crystal plasticity modeling strategy. While lamella and domain boundary strengthening can be isolated in experiments using polysynthetically twinned crystals or mircomechanical testing, colony boundary strengthening can only be investigated in specimens in which all three strengthening mechanisms act simultaneously. Thus, isolating the colony boundary strengthening Hall-Petch coefficient K C experimentally requires a sufficient number of specimens with different colony sizes λ C but constant lamella thickness λ L and domain size λ D , difficult to produce even with sophisticated alloying techniques. The here presented crystal plasticity model enables identification of the colony boundary strengthening coefficient K C as a function of lamella thickness λ L . The constitutive description is based on the model of a polysynthetically twinned crystal which is adopted to a representative volume element of a fully lamellar microstructure. In order to capture the micro yield and subsequent micro hardening in weakly oriented colonies prior to macroscopic yield, the hardening relations of the adopted model are revised and calibrated against experiments with polysynthetically twinned crystals for plastic strains up to 15%.

Urate Oxidase Purification by Salting-in Crystallization: Towards an Alternative to Chromatography

PubMed Central

Giffard, Marion; Ferté, Natalie; Ragot, François; El Hajji, Mohamed; Castro, Bertrand; Bonneté, Françoise

2011-01-01

Background Rasburicase (Fasturtec® or Elitek®, Sanofi-Aventis), the recombinant form of urate oxidase from Aspergillus flavus, is a therapeutic enzyme used to prevent or decrease the high levels of uric acid in blood that can occur as a result of chemotherapy. It is produced by Sanofi-Aventis and currently purified via several standard steps of chromatography. This work explores the feasibility of replacing one or more chromatography steps in the downstream process by a crystallization step. It compares the efficacy of two crystallization techniques that have proven successful on pure urate oxidase, testing them on impure urate oxidase solutions. Methodology/Principal Findings Here we investigate the possibility of purifying urate oxidase directly by crystallization from the fermentation broth. Based on attractive interaction potentials which are known to drive urate oxidase crystallization, two crystallization routes are compared: a) by increased polymer concentration, which induces a depletion attraction and b) by decreased salt concentration, which induces attractive interactions via a salting-in effect. We observe that adding polymer, a very efficient way to crystallize pure urate oxidase through the depletion effect, is not an efficient way to grow crystals from impure solution. On the other hand, we show that dialysis, which decreases salt concentration through its strong salting-in effect, makes purification of urate oxidase from the fermentation broth possible. Conclusions The aim of this study is to compare purification efficacy of two crystallization methods. Our findings show that crystallization of urate oxidase from the fermentation broth provides purity comparable to what can be achieved with one chromatography step. This suggests that, in the case of urate oxidase, crystallization could be implemented not only for polishing or concentration during the last steps of purification, but also as an initial capture step, with minimal changes to the current process. PMID:21589929

40 CFR 63.3546 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2014 CFR

2014-07-01

... capture system and add-on control device operating limits during the performance test? 63.3546 Section 63... of key parameters of the valve operating system (e.g., solenoid valve operation, air pressure... minimum operating limit for that specific capture device or system of multiple capture devices. The...

40 CFR 63.3546 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2012 CFR

2012-07-01

... capture system and add-on control device operating limits during the performance test? 63.3546 Section 63... of key parameters of the valve operating system (e.g., solenoid valve operation, air pressure... minimum operating limit for that specific capture device or system of multiple capture devices. The...

Multi Resolution In-Situ Testing and Multiscale Simulation for Creep Fatigue Damage Analysis of Alloy 617

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

Liu, Yongming; Oskay, Caglar

This report outlines the research activities that were carried out for the integrated experimental and simulation investigation of creep-fatigue damage mechanism and life prediction of Nickel-based alloy, Inconel 617 at high temperatures (950° and 850°). First, a novel experimental design using a hybrid control technique is proposed. The newly developed experimental technique can generate different combinations of creep and fatigue damage by changing the experimental design parameters. Next, detailed imaging analysis and statistical data analysis are performed to quantify the failure mechanisms of the creep fatigue of alloy 617 at high temperatures. It is observed that the creep damage ismore » directly associated with the internal voids at the grain boundaries and the fatigue damage is directly related to the surface cracking. It is also observed that the classical time fraction approach does not has a good correlation with the experimental observed damage features. An effective time fraction parameter is seen to have an excellent correlation with the material microstructural damage. Thus, a new empirical damage interaction diagram is proposed based on the experimental observations. Following this, a macro level viscoplastic model coupled with damage is developed to simulate the stress/strain response under creep fatigue loadings. A damage rate function based on the hysteresis energy and creep energy is proposed to capture the softening behavior of the material and a good correlation with life prediction and material hysteresis behavior is observed. The simulation work is extended to include the microstructural heterogeneity. A crystal plasticity finite element model considering isothermal and large deformation conditions at the microstructural scale has been developed for fatigue, creep-fatigue as well as creep deformation and rupture at high temperature. The model considers collective dislocation glide and climb of the grains and progressive damage accumulation of the grain boundaries. The glide model incorporates a slip resistance evolution model that characterizes the solute-drag creep effects and can capture well the stress-strain and stress time response of fatigue and creep-fatigue tests at various strain ranges and hold times. In order to accurately capture the creep strains that accumulate particularly at relatively low stress levels, a dislocation climb model has been incorporated into the crystal plasticity modeling framework. The dislocation climb model parameters are calibrated and verified through experimental creep tests performed at 950°. In addition, a cohesive zone model has been fully implemented in the context of the crystal plasticity finite element model to capture the intergranular creep damage. The parameters of the cohesive zone model have been calibrated using available experimental data. The numerical simulations illustrate the capability of the proposed model in capturing damage initiation and growth under creep loads as compared to the experimental observations. The microscale analysis sheds light on the crack initiation sites and propagation patterns within the microstructure. The model is also utilized to investigate the hybrid-controlled creep-fatigue tests and has been found to capture reasonably well the stress-strain response with different hold times and hold stress magnitudes.« less

40 CFR 63.7290 - What emission limitations must I meet for capture systems and control devices applied to pushing...

Code of Federal Regulations, 2014 CFR

2014-07-01

... to capture emissions; (3) If a mobile scrubber car that does not capture emissions during travel is... each capture system that uses an electric motor to drive the fan, you must maintain the daily average... (ii) For each capture system that does not use a fan driven by an electric motor, you must maintain...

40 CFR 63.7290 - What emission limitations must I meet for capture systems and control devices applied to pushing...

Code of Federal Regulations, 2013 CFR

2013-07-01

... to capture emissions; (3) If a mobile scrubber car that does not capture emissions during travel is... each capture system that uses an electric motor to drive the fan, you must maintain the daily average... (ii) For each capture system that does not use a fan driven by an electric motor, you must maintain...

40 CFR 63.7290 - What emission limitations must I meet for capture systems and control devices applied to pushing...

Code of Federal Regulations, 2012 CFR

2012-07-01

... to capture emissions; (3) If a mobile scrubber car that does not capture emissions during travel is... each capture system that uses an electric motor to drive the fan, you must maintain the daily average... (ii) For each capture system that does not use a fan driven by an electric motor, you must maintain...

40 CFR 63.7290 - What emission limitations must I meet for capture systems and control devices applied to pushing...

Code of Federal Regulations, 2011 CFR

2011-07-01

... to capture emissions; (3) If a mobile scrubber car that does not capture emissions during travel is... each capture system that uses an electric motor to drive the fan, you must maintain the daily average... (ii) For each capture system that does not use a fan driven by an electric motor, you must maintain...

40 CFR 63.7290 - What emission limitations must I meet for capture systems and control devices applied to pushing...

Code of Federal Regulations, 2010 CFR

2010-07-01

... to capture emissions; (3) If a mobile scrubber car that does not capture emissions during travel is... each capture system that uses an electric motor to drive the fan, you must maintain the daily average... (ii) For each capture system that does not use a fan driven by an electric motor, you must maintain...

Tris(2-aminoethyl)amine based tripodal urea receptors for oxalate: encapsulation of staggered vs. planar conformers.

PubMed

Bose, Purnandhu; Dutta, Ranjan; Ghosh, Pradyut

2013-07-28

Simple tris(2-aminoethyl)amine (TREN) based tripodal urea receptors are investigated for the encapsulation of divalent oxalate (C2O4(2-)) in a semi-aqueous medium. A single crystal X-ray diffraction study shows that the receptor with 3-cyanophenyl functionality captures a staggered conformer whereas the 3-fluorophenyl functionalized receptor encapsulates a less stable planar conformer.

Intra-cavity upconversion to 631 nm of images illuminated by an eye-safe ASE source at 1550 nm.

PubMed

Torregrosa, A J; Maestre, H; Capmany, J

2015-11-15

We report an image wavelength upconversion system. The system mixes an incoming image at around 1550 nm (eye-safe region) illuminated by an amplified spontaneous emission (ASE) fiber source with a Gaussian beam at 1064 nm generated in a continuous-wave diode-pumped Nd(3+):GdVO(4) laser. Mixing takes place in a periodically poled lithium niobate (PPLN) crystal placed intra-cavity. The upconverted image obtained by sum-frequency mixing falls around the 631 nm red spectral region, well within the spectral response of standard silicon focal plane array bi-dimensional sensors, commonly used in charge-coupled device (CCD) or complementary metal-oxide-semiconductor (CMOS) video cameras, and of most image intensifiers. The use of ASE illumination benefits from a noticeable increase in the field of view (FOV) that can be upconverted with regard to using coherent laser illumination. The upconverted power allows us to capture real-time video in a standard nonintensified CCD camera.

Phase separation and the formation of the pyrenoid, a carbon-fixing organelle

NASA Astrophysics Data System (ADS)

Xu, Bin; Freeman Rosenzweig, Elizabeth; Mackinder, Luke; Jonikas, Martin; Wingreen, Ned S.

In the chloroplasts of most algae, the carbon-fixing enzyme Rubisco is concentrated in a non-membrane-bound structure called the pyrenoid, which enables more efficient carbon capture than that of most land plants. In contrast to the long-held assumptions of the field, the pyrenoid matrix is not a solid crystal, but behaves as a phase-separated, liquid-like organelle. In this system, the linker protein EPYC1 is thought to form multivalent specific bonds with Rubisco, and the formation of the pyrenoid occurs via the phase separation of these two associating proteins. Through analytical and numerical studies, we determine a phase diagram for this system. We also show how the length of the linker protein can affect the formation and dissolution of the pyrenoid in an unexpected manner. This new view of the pyrenoid matrix provides important insights into the structure, regulation, and inheritance of pyrenoid. More broadly, our findings give insights into fundamental principles of the architecture and inheritance of liquid-phase organelles.

A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif

NASA Astrophysics Data System (ADS)

Charalambidis, Georgios; Georgilis, Evangelos; Panda, Manas K.; Anson, Christopher E.; Powell, Annie K.; Doyle, Stephen; Moss, David; Jochum, Tobias; Horton, Peter N.; Coles, Simon J.; Linares, Mathieu; Beljonne, David; Naubron, Jean-Valère; Conradt, Jonas; Kalt, Heinz; Mitraki, Anna; Coutsolelos, Athanassios G.; Balaban, Teodor Silviu

2016-09-01

Artificial light-harvesting systems have until now not been able to self-assemble into structures with a large photon capture cross-section that upon a stimulus reversibly can switch into an inactive state. Here we describe a simple and robust FLFL-dipeptide construct to which a meso-tetraphenylporphyrin has been appended and which self-assembles to fibrils, platelets or nanospheres depending on the solvent composition. The fibrils, functioning as quenched antennas, give intense excitonic couplets in the electronic circular dichroism spectra which are mirror imaged if the unnatural FDFD-analogue is used. By slightly increasing the solvent polarity, these light-harvesting fibres disassemble to spherical structures with silent electronic circular dichroism spectra but which fluoresce. Upon further dilution with the nonpolar solvent, the intense Cotton effects are recovered, thus proving a reversible switching. A single crystal X-ray structure shows a head-to-head arrangement of porphyrins that explains both their excitonic coupling and quenched fluorescence.

Crystal Systems.

ERIC Educational Resources Information Center

Schomaker, Verner; Lingafelter, E. C.

1985-01-01

Discusses characteristics of crystal systems, comparing (in table format) crystal systems with lattice types, number of restrictions, nature of the restrictions, and other lattices that can accidently show the same metrical symmetry. (JN)

The Effectiveness of Classroom Capture Technology

ERIC Educational Resources Information Center

Ford, Maire B.; Burns, Colleen E.; Mitch, Nathan; Gomez, Melissa M.

2012-01-01

The use of classroom capture systems (systems that capture audio and video footage of a lecture and attempt to replicate a classroom experience) is becoming increasingly popular at the university level. However, research on the effectiveness of classroom capture systems in the university classroom has been limited due to the recent development and…

Flowsheet Analysis of U-Pu Co-Crystallization Process as a New Reprocessing System

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

Shunji Homma; Jun-ichi Ishii; Jiro Koga

2006-07-01

A new fuel reprocessing system by U-Pu co-crystallization process is proposed and examined by flowsheet analysis. This reprocessing system is based on the fact that hexavalent plutonium in nitric acid solution is co-crystallized with uranyl nitrate, whereas it is not crystallized when uranyl nitrate does not exist in the solution. The system consists of five steps: dissolution of spent fuel, plutonium oxidation, U-Pu co-crystallization as a co-decontamination, re-dissolution of the crystals, and U re-crystallization as a U-Pu separation. The system requires a recycling of the mother liquor from the U-Pu co-crystallization step and the appropriate recycle ratio is determined bymore » flowsheet analysis such that the satisfactory decontamination is achieved. Further flowsheet study using four different compositions of LWR spent fuels demonstrates that the constant ratio of plutonium to uranium in mother liquor from the re-crystallization step is achieved for every composition by controlling the temperature. It is also demonstrated by comparing to the Purex process that the size of the plant based on the proposed system is significantly reduced. (authors)« less

Point defects in CdTe xSe 1-x crystals grown from a Te-rich solution for applications in detecting radiation

DOE PAGES

Gul, R.; Roy, U. N.; Bolotnikov, A. E.; ...

2015-04-15

We investigated cadmium telluride selenide (CdTeSe) crystals, newly grown by the Traveling Heater Method (THM), for the presence and abundance of point defects. Deep Level Transient spectroscopy (I-DLTS) was used to determine the energies of the traps, their capture cross sections, and densities. The bias across the detectors was varied from (1–30) V. Four types of point defects were identified, ranging from 10 meV to 0.35 eV. Two dominant traps at energies of 0.18 eV and 0.14 eV were studied in depth. Cd vacancies are found at lower concentrations than other point defects present in the material.

Air-guided photonic-crystal-fiber pulse-compression delivery of multimegawatt femtosecond laser output for nonlinear-optical imaging and neurosurgery

NASA Astrophysics Data System (ADS)

Lanin, Aleksandr A.; Fedotov, Il'ya V.; Sidorov-Biryukov, Dmitrii A.; Doronina-Amitonova, Lyubov V.; Ivashkina, Olga I.; Zots, Marina A.; Sun, Chi-Kuang; Ömer Ilday, F.; Fedotov, Andrei B.; Anokhin, Konstantin V.; Zheltikov, Aleksei M.

2012-03-01

Large-core hollow photonic-crystal fibers (PCFs) are shown to enable a fiber-format air-guided delivery of ultrashort infrared laser pulses for neurosurgery and nonlinear-optical imaging. With an appropriate dispersion precompensation, an anomalously dispersive 15-μm-core hollow PCF compresses 510-fs, 1070-nm light pulses to a pulse width of about 110 fs, providing a peak power in excess of 5 MW. The compressed PCF output is employed to induce a local photodisruption of corpus callosum tissues in mouse brain and is used to generate the third harmonic in brain tissues, which is captured by the PCF and delivered to a detector through the PCF cladding.

Effect of sulfate ions on the crystallization and photocatalytic activity of TiO2/diatomite composite photocatalyst

NASA Astrophysics Data System (ADS)

Zhang, Jinjun; Wang, Xiaoyan; Wang, Jimei; Wang, Jing; Ji, Zhijiang

2016-01-01

TiO2 nanoparticles were immobilized on diatomite by hydrolysis-deposition method using titanium tetrachloride as precursor. The effect of sulfate ions on the crystallization and photocatalytic activity of TiO2/diatomite composite photocatalyst was characterized by TG-DSC, XRD, BET surface area, SEM, FT-IR spectroscopy, XPS and UV-vis diffuse reflectance spectra. The results indicate that addition of a small amount of sulfate ions promotes the formation of anatase phase and inhibits the transformation from anatase to rutile. On the other hand, sulfate ions immobilized on the surface of TiO2/diatomite have strong affinity for electrons, capturing the photo-generated electrons, which hinders the recombination of electrons and holes.

Linking Crystal Populations to Dynamic States: Crystal Dissolution and Growth During an Open-System Event

NASA Astrophysics Data System (ADS)

Bergantz, G. W.; Schleicher, J.; Burgisser, A.

2016-12-01

The identification of shared characteristics in zoned crystals has motivated the definition of crystal populations. These populations reflect the simultaneous transport of crystals, heat and composition during open-system events. An obstacle to interpreting the emergence of a population is the absence of a way to correlate specific dynamic conditions with the characteristic attributes of a population. By combining a boundary-layer diffusion controlled model for crystal growth/dissolution with discrete-element magma dynamics simulations of crystal-bearing magmas, the creation of populations can be simulated. We have implemented a method that decomposes the chemical potential into the thermal and compositional contributions to crystal dissolution/growth. This allows for the explicit treatment of thermal inertia and thermal-compositional decoupling as fluid circulation stirs the system during an open-system event. We have identified three distinct dynamic states producing crystal populations. They are based on the volume fraction of crystals. In a mushy system, thermal and compositional states are tightly linked as the volume involved in the mixing is constrained by the so-called mixing bowl (Bergantz et al., 2015). The mixing bowl volume is a function of the visco-plastic response of the mush and the intrusion width, not by the progressive entrainment of the new intrusion as commonly assumed. Crystal dissolution is the dominate response to input of more primitive magma. At the other endmember, under very dilute conditions, thermal and compositional conditions can become decoupled, and the in-coming magma forms a double-diffusive low-Re jet. This can allow for both dissolution and growth as crystals circulate widely into an increasingly stratified system. A middle range of crystal concentration produces a very complex feedback, as sedimenting crystals form fingers and chains that interact with the incoming magma, break-up the entrainment with chaotic stirring and add a second length scale to the mixing. It simultaneously forms a small mixing bowl in the pile of crystals sedimenting at the base. This can produce very complex populations even in a simple open-system event. Bergantz et al., 2015, Open-system dynamics and mixing in magma mushes, Nature Geosci., DOI: 10.1038/NGEO2534

Isotopic effects on phonon anharmonicity in layered van der Waals crystals: Isotopically pure hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Cuscó, Ramon; Artús, Luis; Edgar, James H.; Liu, Song; Cassabois, Guillaume; Gil, Bernard

2018-04-01

Hexagonal boron nitride (h -BN) is a layered crystal that is attracting a great deal of attention as a promising material for nanophotonic applications. The strong optical anisotropy of this crystal is key to exploit polaritonic modes for manipulating light-matter interactions in 2D materials. h -BN has also great potential for solid-state neutron detection and neutron imaging devices, given the exceptionally high thermal neutron capture cross section of the boron-10 isotope. A good knowledge of phonons in layered crystals is essential for harnessing long-lived phonon-polariton modes for nanophotonic applications and may prove valuable for developing solid-state 10BN neutron detectors with improved device architectures and higher detection efficiencies. Although phonons in graphene and isoelectronic materials with a similar hexagonal layer structure have been studied, the effect of isotopic substitution on the phonons of such lamellar compounds has not been addressed yet. Here we present a Raman scattering study of the in-plane high-energy Raman active mode on isotopically enriched single-crystal h -BN. Phonon frequency and lifetime are measured in the 80-600-K temperature range for 10B-enriched, 11B-enriched, and natural composition high quality crystals. Their temperature dependence is explained in the light of perturbation theory calculations of the phonon self-energy. The effects of crystal anisotropy, isotopic disorder, and anharmonic phonon-decay channels are investigated in detail. The isotopic-induced changes in the phonon density of states are shown to enhance three-phonon anharmonic decay channels in 10B-enriched crystals, opening the possibility of isotope tuning of the anharmonic phonon decay processes.

Crystal chemistry of a Ba-dominant analogue of hydrodelhayelite and natural ion-exchange transformations in double- and triple-layer phyllosilicates in post-volcanic systems of the Eifel region, Germany

NASA Astrophysics Data System (ADS)

Zubkova, N. V.; Chukanov, N. V.; Pekov, I. V.; Turchkova, A. G.; Lykova, I. S.; Schüller, W.; Ternes, B.; Pushcharovsky, D. Yu.

2016-12-01

A Ba-dominant (Ba > K) analogue of hydrodelhayelite (BDAH) from Löhley (Eifel Mts., Rhineland-Palatinate, Germany) and Ba-enriched varieties of related double- and triple-layer phyllosilicates from Eifel are studied. The crystal structure of BDAH was solved by direct methods and refined to R = 0.0698 [1483 unique reflections with I > 2σ( I)]. It is orthorhombic, Pmmn, a = 23.9532(9), b = 7.0522(3), c = 6.6064(3) Å, V = 1115.97(8) Å3, Z = 2. The structure is based upon delhayelite-type double-layer tetrahedral blocks [(Al,Si)4Si12O34(OH,O)4] connected by chains of (Ca,Fe)-centered octahedra. Ba2+ and subordinate K+ occur at partially vacant sites in zeolitic channels within the tetrahedral blocks. The crystal-chemical formula of BDAH is: (Ba0.42K0.34□0.24)(Ca0.88Fe0.12)2(□0.90Mg0.10)2[Si6(Al0.5Si0.5)2O17(OH0.71O0.29)2]ṡ6H2O. The formation of BDAH and Ba-rich varieties of altered delhayelite/fivegite, günterblassite and hillesheimite is considered as a result of leaching of Na, Cl, F and, partially, K and Ca accompanied with hydration and the capture of Ba as a result of natural ion exchange. These minerals are structurally a "bridge" between single-layer phyllosilicates and zeolites having the open three-dimensional tetrahedral Al-Si-O frameworks.

A Novel Method for Quantifying Human In Situ Whole Brain Deformation under Rotational Loading Using Sonomicrometry.

PubMed

Alshareef, Ahmed; Giudice, J Sebastian; Forman, Jason; Salzar, Robert S; Panzer, Matthew B

2018-03-01

Traumatic brain injuries (TBI) are one of the least understood injuries to the body. Finite element (FE) models of the brain have been crucial for understanding concussion and for developing injury mitigation systems; however, the experimental brain deformation data currently used to validate these models are limited. The objective of this study was to develop a methodology for the investigation of in situ three-dimensional brain deformation during pure rotational loading of the head, using sonomicrometry. Sonomicrometry uses ultrasonic pulses to measure the dynamic distances between piezoelectric crystals implanted in any sound-transmitting media. A human cadaveric head-neck specimen was acquired 14 h postmortem and was instrumented with an array of 32 small sonomicrometry crystals embedded in the head: 24 crystals were implanted in the brain, and 8 were fixed to the inner skull. A dynamic rotation was then applied to the head using a closed-loop controlled test device. Four pulses with different severity levels were applied around three orthogonal anatomical axes of rotation. A repeated test of the highest severity rotation was conducted in each axis to assess repeatability. All tests were completed within 56 h postmortem. Overall, the combined experimental and sonomicrometry methods were demonstrated to reliably and repeatedly capture three-dimensional dynamic deformation of an intact human brain. These methods provide a framework for using sonomicrometry to acquire multidimensional experimental data required for FE model development and validation, and will lend insight into the deformations sustained by the brain during impact.

Bioconjugation of silk fibroin nanoparticles with enzyme and Peptide and their characterization.

PubMed

Wang, Fei; Zhang, Yu-Qing

2015-01-01

Bombyx mori silk fibroin is a type of protein-based polymer with unique characteristics that is widely used in the research and development of medical biomaterials. The degummed filament of silk fibroin can be dissolved in a highly concentrated salt solution. After desalination, the regenerated liquid silk fibroin (LSF) solution could be made into various forms of silk biomaterials, such as powder, fiber, film, porous matrix, 3D scaffold, and hydrogel, depending on its application. In this study, we mixed the liquid silk solution with enzymes, including oxidase and hydrolase, and rapidly injected the mixture into an excess of acetone. The enzyme retained most of its enzymatic activity and was also captured in silk fibroin nanoparticles (SFNs), which instantly formed via a configuration transition of the regenerated silk protein from a random coil and α-helix to a β-sheet. The resulting enzyme-captured SFNs displayed a fine crystal structure with a high activity recovery and good thermal stability. Moreover, the affinities of these modified enzymes to their substrate did not evidently suffer from the capture. When only the liquid silk solution was rapidly injected into acetone, the resulting globular SFNs with the same crystallinity were also a good carrier that was covalently conjugated to enzymes and insulin. Thus, silk protein nanoparticles are of potential value as an enzyme or peptide delivery system for the research and development of medical biomaterials. In this report, the bioconjugation of SFNs with glucose oxidase, superoxidase, β-glucosidase, L-asparaginase, neutral protease, and insulin and their characterization are described in detail. © 2015 Elsevier Inc. All rights reserved.

Economic and energetic analysis of capturing CO2 from ambient air

PubMed Central

House, Kurt Zenz; Baclig, Antonio C.; Ranjan, Manya; van Nierop, Ernst A.; Wilcox, Jennifer; Herzog, Howard J.

2011-01-01

Capturing carbon dioxide from the atmosphere (“air capture”) in an industrial process has been proposed as an option for stabilizing global CO2 concentrations. Published analyses suggest these air capture systems may cost a few hundred dollars per tonne of CO2, making it cost competitive with mainstream CO2 mitigation options like renewable energy, nuclear power, and carbon dioxide capture and storage from large CO2 emitting point sources. We investigate the thermodynamic efficiencies of commercial separation systems as well as trace gas removal systems to better understand and constrain the energy requirements and costs of these air capture systems. Our empirical analyses of operating commercial processes suggest that the energetic and financial costs of capturing CO2 from the air are likely to have been underestimated. Specifically, our analysis of existing gas separation systems suggests that, unless air capture significantly outperforms these systems, it is likely to require more than 400 kJ of work per mole of CO2, requiring it to be powered by CO2-neutral power sources in order to be CO2 negative. We estimate that total system costs of an air capture system will be on the order of $1,000 per tonne of CO2, based on experience with as-built large-scale trace gas removal systems. PMID:22143760

A hierarchical dislocation-grain boundary interaction model based on 3D discrete dislocation dynamics and molecular dynamics

NASA Astrophysics Data System (ADS)

Gao, Yuan; Zhuang, Zhuo; You, XiaoChuan

2011-04-01

We develop a new hierarchical dislocation-grain boundary (GB) interaction model to predict the mechanical behavior of polycrystalline metals at micro and submicro scales by coupling 3D Discrete Dislocation Dynamics (DDD) simulation with the Molecular Dynamics (MD) simulation. At the microscales, the DDD simulations are responsible for capturing the evolution of dislocation structures; at the nanoscales, the MD simulations are responsible for obtaining the GB energy and ISF energy which are then transferred hierarchically to the DDD level. In the present model, four kinds of dislocation-GB interactions, i.e. transmission, absorption, re-emission and reflection, are all considered. By this methodology, the compression of a Cu micro-sized bi-crystal pillar is studied. We investigate the characteristic mechanical behavior of the bi-crystal compared with that of the single-crystal. Moreover, the comparison between the present penetrable model of GB and the conventional impenetrable model also shows the accuracy and efficiency of the present model.

Porous photonic crystal external cavity laser biosensor

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

Huang, Qinglan; Peh, Jessie; Hergenrother, Paul J.

2016-08-15

We report the design, fabrication, and testing of a photonic crystal (PC) biosensor structure that incorporates a porous high refractive index TiO{sub 2} dielectric film that enables immobilization of capture proteins within an enhanced surface-area volume that spatially overlaps with the regions of resonant electromagnetic fields where biomolecular binding can produce the greatest shifts in photonic crystal resonant wavelength. Despite the nanoscale porosity of the sensor structure, the PC slab exhibits narrowband and high efficiency resonant reflection, enabling the structure to serve as a wavelength-tunable element of an external cavity laser. In the context of sensing small molecule interactions withmore » much larger immobilized proteins, we demonstrate that the porous structure provides 3.7× larger biosensor signals than an equivalent nonporous structure, while the external cavity laser (ECL) detection method provides capability for sensing picometer-scale shifts in the PC resonant wavelength caused by small molecule binding. The porous ECL achieves a record high figure of merit for label-free optical biosensors.« less

40 CFR 63.3965 - How do I determine the emission capture system efficiency?

Code of Federal Regulations, 2010 CFR

2010-07-01

...; coating solvent flash-off, curing, and drying occurs within the capture system; and the removal or... spray booth and a curing oven. (b) Measuring capture efficiency. If the capture system does not meet... surface preparation activities and drying and curing time. (c) Liquid-to-uncaptured-gas protocol using a...

Channeling through Bent Crystals

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

Mack, Stephanie; /Ottawa U. /SLAC

2012-09-07

Bent crystals have demonstrated potential for use in beam collimation. A process called channeling is when accelerated particle beams are trapped by the nuclear potentials in the atomic planes within a crystal lattice. If the crystal is bent then the particles can follow the bending angle of the crystal. There are several different effects that are observed when particles travel through a bent crystal including dechanneling, volume capture, volume reflection and channeling. With a crystal placed at the edge of a particle beam, part of the fringe of the beam can be deflected away towards a detector or beam dump,more » thus helping collimate the beam. There is currently FORTRAN code by Igor Yazynin that has been used to model the passage of particles through a bent crystal. Using this code, the effects mentioned were explored for beam energy that would be seen at the Facility for Advanced Accelerator Experimental Tests (FACET) at a range of crystal orientations with respect to the incoming beam. After propagating 5 meters in vacuum space past the crystal the channeled particles were observed to separate from most of the beam with some noise due to dechanneled particles. Progressively smaller bending radii, with corresponding shorter crystal lengths, were compared and it was seen that multiple scattering decreases with the length of the crystal therefore allowing for cleaner detection of the channeled particles. The input beam was then modified and only a portion of the beam sent through the crystal. With the majority of the beam not affected by the crystal, most particles were not deflected and after propagation the channeled particles were seen to be deflected approximately 5mm. After a portion of the beam travels through the crystal, the entire beam was then sent through a quadrupole magnet, which increased the separation of the channeled particles from the remainder of the beam to a distance of around 20mm. A different code, which was developed at SLAC, was used to create an angular profile plot which was compared to what was produced by Yazynin's code for a beam with no multiple scattering. The results were comparable, with volume reflection and channeling effects observed and the range of crystal orientations at which volume reflection is seen was about 1 mrad in both simulations.« less

Binding CO2 from Air by a Bulky Organometallic Cation Containing Primary Amines.

PubMed

Luo, Yang-Hui; Chen, Chen; Hong, Dan-Li; He, Xiao-Tong; Wang, Jing-Wen; Ding, Ting; Wang, Bo-Jun; Sun, Bai-Wang

2018-03-21

The organometallic cation 1 (Fe(bipy-NH 2 ) 3 2+ , bipy-NH 2 = 4,4'-diamino-2,2'-bipyridine), which was constructed in situ in solution, can bind CO 2 from air effectively with a stoichiometric ratio of 1:4 (1/CO 2 ), through the formation of "H-bonded CO 2 " species: [CO 2 -OH-CO 2 ] - and [CO 2 -CO 2 -OH] - . These two species, along with the captured individual CO 2 molecules, connected 1 into a novel 3D (three-dimensional) architecture, that was crystal 1·2(OH - )·4(CO 2 ). The adsorption isotherms, recycling investigations, and the heat capacity of 1 have been investigated; the results revealed that the organometallic cation 1 can be recycled at least 10 times for the real-world CO 2 capture applications. The strategies presented here may provide new hints for the development of new alkanolamine-related absorbents or technologies for CO 2 capture and sequestration.

In-situ and real-time growth observation of high-quality protein crystals under quasi-microgravity on earth.

PubMed

Nakamura, Akira; Ohtsuka, Jun; Kashiwagi, Tatsuki; Numoto, Nobutaka; Hirota, Noriyuki; Ode, Takahiro; Okada, Hidehiko; Nagata, Koji; Kiyohara, Motosuke; Suzuki, Ei-Ichiro; Kita, Akiko; Wada, Hitoshi; Tanokura, Masaru

2016-02-26

Precise protein structure determination provides significant information on life science research, although high-quality crystals are not easily obtained. We developed a system for producing high-quality protein crystals with high throughput. Using this system, gravity-controlled crystallization are made possible by a magnetic microgravity environment. In addition, in-situ and real-time observation and time-lapse imaging of crystal growth are feasible for over 200 solution samples independently. In this paper, we also report results of crystallization experiments for two protein samples. Crystals grown in the system exhibited magnetic orientation and showed higher and more homogeneous quality compared with the control crystals. The structural analysis reveals that making use of the magnetic microgravity during the crystallization process helps us to build a well-refined protein structure model, which has no significant structural differences with a control structure. Therefore, the system contributes to improvement in efficiency of structural analysis for "difficult" proteins, such as membrane proteins and supermolecular complexes.

Convective Troposphere-Stratosphere Transport in the Tropics and Hydration by ice Crystals Geysers

NASA Astrophysics Data System (ADS)

Pommereau, J.

2008-12-01

Twenty-five years ago the suggestion was made by Danielsen of direct fast convective penetration of tropospheric air in the stratosphere over land convective systems. Although the existence of the mechanism is accepted, it was thought to be rare and thus its contribution to Troposphere-Stratosphere Transport (TST) of chemical species and water vapour at global scale unimportant at global scale. In contrast to this assumption, observations of temperature, water vapour, ice particles, long-lived tropospheric species during HIBISCUS, TROCCINOX and SCOUT-O3 over Brazil, Australia and Africa and more recently CALIPSO aerosols observations suggest that it is a general feature of tropical land convective regions in the summer. Particularly relevant to stratospheric water vapour is the observation of geyser like ice crystals in the TTL over overshooting events which may result in the moistening of the stratosphere. Although such events successfully captured by small scale Cloud-Resolving Models may have a significant impact on stratospheric ozone chemistry and climate, they are currently totally ignored by NWPs, CTMs and CCMs. Several recent balloon and aircraft observations of overshoots and CRM simulations will be shown illustrating the mechanism, as well as observations from a variety of satellites suggesting a significant impact at global scale.

Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations

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

Lim, Hojun; Dingreville, Rémi; Deibler, Lisa A.

In this research, a crystal plasticity-finite element (CP-FE) model is used to investigate the effects of microstructural variability at a notch tip in tantalum single crystals and polycrystals. It is shown that at the macroscopic scale, the mechanical response of single crystals is sensitive to the crystallographic orientation while the response of polycrystals shows relatively small susceptibility to it. However, at the microscopic scale, the local stress and strain fields in the vicinity of the crack tip are completely determined by the local crystallographic orientation at the crack tip for both single and polycrystalline specimens with similar mechanical field distributions.more » Variability in the local metrics used (maximum von Mises stress and equivalent plastic strain at 3% deformation) for 100 different realizations of polycrystals fluctuates by up to a factor of 2–7 depending on the local crystallographic texture. Comparison with experimental data shows that the CP model captures variability in stress–strain response of polycrystals that can be attributed to the grain-scale microstructural variability. In conclusion, this work provides a convenient approach to investigate fluctuations in the mechanical behavior of polycrystalline materials induced by grain morphology and crystallographic orientations.« less

Structure and properties of fullerene molecular crystals with linear-scaling van der Waals density functional theory

NASA Astrophysics Data System (ADS)

Mostofi, Arash; Andrinopoulos, Lampros; Hine, Nicholas

2014-03-01

Fullerene molecular crystals are of technological promise for their use in heterojunction photovoltaic cells. An improved theoretical understanding of their structure and properties would be a step towards the rational design of new devices. Simulations based on density-functional theory (DFT) are invaluable for developing such insight, but standard semi-local functionals do not capture the important inter-molecular van der Waals (vdW) interactions in fullerene crystals. Furthermore the computational cost associated with the large unit cells needed are at the limit or beyond the capabilities of traditional DFT methods. In this work we overcome these limitations by using our implementation of a number of vdW-DFs in the ONETEP linear-scaling DFT code to study the structural properties of C60 molecular crystals. Powder neutron diffraction shows that the low-temperature Pa-3 phase is orientationally ordered with individual C60 units rotated around the [111] direction. We fully explore the energy landscape associated with the rotation angle and find two stable structures that are energetically very close, one of which corresponds to the experimentally observed structure. We further consider the effect of orientational disorder in very large supercells of thousands of atoms.

Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations

DOE PAGES

Lim, Hojun; Dingreville, Rémi; Deibler, Lisa A.; ...

2016-02-27

In this research, a crystal plasticity-finite element (CP-FE) model is used to investigate the effects of microstructural variability at a notch tip in tantalum single crystals and polycrystals. It is shown that at the macroscopic scale, the mechanical response of single crystals is sensitive to the crystallographic orientation while the response of polycrystals shows relatively small susceptibility to it. However, at the microscopic scale, the local stress and strain fields in the vicinity of the crack tip are completely determined by the local crystallographic orientation at the crack tip for both single and polycrystalline specimens with similar mechanical field distributions.more » Variability in the local metrics used (maximum von Mises stress and equivalent plastic strain at 3% deformation) for 100 different realizations of polycrystals fluctuates by up to a factor of 2–7 depending on the local crystallographic texture. Comparison with experimental data shows that the CP model captures variability in stress–strain response of polycrystals that can be attributed to the grain-scale microstructural variability. In conclusion, this work provides a convenient approach to investigate fluctuations in the mechanical behavior of polycrystalline materials induced by grain morphology and crystallographic orientations.« less

Development of a sorption rate technique for single zeolite crystals using an electrodynamic balance

NASA Astrophysics Data System (ADS)

Welegala, Mark Joseph

Conventional means for evaluating intracrystalline diffusion in zeolites are complicated by extracrystalline mass transport resistances, crystallite size distribution, sorption heat effects, and finite instrument response times. A potentially direct means of overcoming these problems is to study sorption uptake on a single crystal suspended within a flowing gas stream in an electrodynamic balance (EDB). The objectives of this research were to design, build and investigate the viability of using such a device for obtaining diffusion coefficients from simple sorbate/zeolite systems, by computing the sorption uptake curve from the levitation voltage as a function of time. The initial electronic cell design was strongly influenced by flow mixing considerations. Accordingly, the conventional bihyperboloid electrode configuration was discarded in favor of novel four-ring (4R), and later two-ring/two-screen (2R/2S) designs with cylindrical interior geometries. A detailed numerical model based on the Method of Discrete Charges (MDC) was developed and used to aid in the design and operational understanding of these cells. Several 2R/2S designs were built and tested, including teflon/mica composite and ceramic cells capable of withstanding up to 750oF, for in situ activation of the zeolites. The diffusion of carbon dioxide in zeolite A was selected for testing due to the large differential weight change (10-20%) which occurs at ambient conditions and the availability of reliable experimental diffusion results (Yucel and Ruthven, 1980a). In addition to the carbon dioxide sorbate, water on zeolite 4A and a system relatively immune to atmospheric contamination, CO2 on activated carbon were also studied. Laboratory 4A crystals of up to 45 μm were grown using Charnell's method. These large solid particles were captured using a dry charging technique, and held during elevated temperature dehydration. Preliminary experimentation introduced externally dried crystals to the cell chamber in 0.5-3 minutes. Only minimal desorption results with carbon dioxide and later, adsorption for water vapor, were obtained. Further experiments revealed that crystal contamination from laboratory air can be considerable in less than one minute, thereby preadsorbing airborne water vapor. The experimental methodology was changed to include in situ heating. Subsequent attempts to circumvent laser heating of the particle had limited success. Particle loss, (due to excessive charge loss) and cell material degradation limited the process to null point temperatures of approximately 260oC, which is insufficient for complete zeolite dehydration. Early, it was demonstrated that gas compositions could be switched while flowing without losing the particle. However, the resulting concentration transient imposes an ultimate limitation on the technique for application to rapidly diffusing systems. Also, the fact that the technique is gravimetric requires that the diffusing species must be appreciably adsorbed at ambient conditions. Thus the single crystal sorption apparatus based on the electrodynamic containment device would appear to have use primarily for strongly adsorbed and slowly diffusing species. (Abstract shortened by UMI.)

Stoichiometric Effects on the Photoelectric Properties of LiInSe 2 Crystals for Neutron Detection

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

Guo, Lijian; Xu, Yadong; Zheng, Hongjian

6LiInSe 2 is a promising semiconductor candidate for thermal neutron detection due to its large capture cross-section. However, the charge collection efficiency is still insufficient for high resolution for the grown-in defects induced by the stoichiometric deviation. In this work, we report photoelectric properties of stoichiometric LiInSe 2 crystal boules up to 70 mm in length and 20 mm in diameter grown by the vertical Bridgman method. Inductively coupled plasma measurements demonstrate that the ratio of Li, In, and Se of the as-grown crystal is very close to 1:1:2, which is optimized by low temperature synthesis processing. The obtained singlemore » crystals display high bulk resistivity in the range of 10 11–10 12 Ω·cm and a direct band gap of 2.01–2.83 eV with a changeable color from red to yellow. The electronic structure of LiInSe 2 was studied using first-principles density functional theory calculations, which predicts that the antisite defects of In Li and Li In are the dominant factor for the different crystal colors observed. The stoichiometric LiInSe 2 crystal gives an improved energy resolution, for a semiconductor detector when illuminated with a 241Am@5.48 MeV α source, of 23.3%. In conclusion, the electron mobility-lifetime product (μτ) is ~2.5 × 10 –5 cm 2 V –1.« less

Image analysis assisted study of mitotic figures in oral epithelial dysplasia and squamous cell carcinoma using differential stains.

PubMed

Tandon, Ankita; Singh, Narendra Nath; Brave, V R; Sreedhar, Gadiputi

2016-11-01

Mitosis is a process of cell division resulting in two genetically equivalent daughter cells. Excessive proliferation of cells due to mitosis is the hallmark in pre cancer and cancer. This study was conducted to count the number of mitotic figures in normal oral mucosa, oral epithelial dysplasia and squamous cell carcinoma in both Hematoxylin and Eosin (H&E) and Crystal Violet stained sections. Also the overall number of mitotic figures with both stains were compared along with the evaluation of staining efficacy of both the stains. The present study was conducted on 20 specimens each of the three categories. These were further divided into two groups for staining with H&E and with 1% Crystal Violet respectively. Images were captured and analyzed using image analysis software Dewinter Biowizard 4.1. Comparison of mitotic figure count in three categories in sections stained with both stains showed statistically significant difference ( p  < 0.001). The mean number of mitotic figures seen in Crystal Violet reagent were significantly higher as seen in H&E stain ( p  < 0.001). The overall diagnostic efficacy of Crystal Violet was 87.6%. Crystal Violet scored over H&E stain and also helped to better appreciate metaphases in Squamous cell carcinoma and telophases in dysplasia. Number of mitotic figures progressively increase with the advancement of the pathology. Use of 1% Crystal Violet provides better appreciation of mitotic figures and can be employed as a selective stain in routine histopathology.

In-situ neutron diffraction and crystal plasticity finite element modeling to study the kinematic stability of retained austenite in bearing steels

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

Voothaluru, Rohit; Bedekar, Vikram; Xie, Qingge

This work integrates in-situ neutron diffraction and crystal plasticity finite element modeling to study the kinematic stability of retained austenite in high carbon bearing steels. The presence of a kinematically metastable retained austenite in bearing steels can significantly affect the macro-mechanical and micro-mechanical material response. Mechanical characterization of metastable austenite is a critical component in accurately capturing the micro-mechanical behavior under typical application loads. Traditional mechanical characterization techniques are unable to discretely quantify the micro-mechanical response of the austenite, and as a result, the computational predictions rely heavily on trial and error or qualitative descriptions of the austenite phase. Inmore » order to overcome this, in the present work, we use in-situ neutron diffraction of a uniaxial tension test of an A485 Grade 1 bearing steel specimen. The mechanical response determined from the neutron diffraction analysis was incorporated into a hybrid crystal plasticity finite element model that accounts for the martensite's crystal plasticity and the stress-assisted transformation from austenite to martensite in bearing steels. Here, the modeling response was used to estimate the single crystal elastic constants of the austenite and martensite phases. Finally, the results show that using in-situ neutron diffraction, coupled with a crystal plasticity model, can successfully predict both the micro-mechanical and macro-mechanical responses of bearing steels while accounting for the martensitic transformation of the retained austenite.« less

Inferring the effects of compositional boundary layers on crystal nucleation, growth textures, and mineral chemistry in natural volcanic tephras through submicron-resolution imaging

NASA Astrophysics Data System (ADS)

Zellmer, Georg; Sakamoto, Naoya; Hwang, Shyh-Lung; Matsuda, Nozomi; Iizuka, Yoshiyuki; Moebis, Anja; Yurimoto, Hisayoshi

2016-09-01

Crystal nucleation and growth are first order processes captured in volcanic rocks and record important information about the rates of magmatic processes and chemical evolution of magmas during their ascent and eruption. We have studied glass-rich andesitic tephras from the Central Plateau of the Southern Taupo Volcanic Zone by electron- and ion-microbeam imaging techniques to investigate down to sub-micrometre scale the potential effects of compositional boundary layers (CBLs) of melt around crystals on the nucleation and growth of mineral phases and the chemistry of crystal growth zones. We find that CBLs may influence the types of mineral phases nucleating and growing, and growth textures such as the development of swallowtails. The chemistry of the CBLs also has the capacity to trigger intermittent overgrowths of nanometre-scale bands of different phases in rapidly growing crystals, resulting in what we refer to as cryptic phase zoning. The existence of cryptic phase zoning has implications for the interpretation of microprobe compositional data, and the resulting inferences made on the conditions of magmatic evolution. Identification of cryptic phase zoning may in future lead to more accurate thermobarometric estimates and thus geospeedometric constraints. In future, a more quantitative characterization of CBL formation and its effects on crystal nucleation and growth may contribute to a better understanding of melt rheology and magma ascent processes at the onset of explosive volcanic eruptions, and will likely be of benefit to hazard mitigation efforts.

In-situ neutron diffraction and crystal plasticity finite element modeling to study the kinematic stability of retained austenite in bearing steels

DOE PAGES

Voothaluru, Rohit; Bedekar, Vikram; Xie, Qingge; ...

2018-11-21

This work integrates in-situ neutron diffraction and crystal plasticity finite element modeling to study the kinematic stability of retained austenite in high carbon bearing steels. The presence of a kinematically metastable retained austenite in bearing steels can significantly affect the macro-mechanical and micro-mechanical material response. Mechanical characterization of metastable austenite is a critical component in accurately capturing the micro-mechanical behavior under typical application loads. Traditional mechanical characterization techniques are unable to discretely quantify the micro-mechanical response of the austenite, and as a result, the computational predictions rely heavily on trial and error or qualitative descriptions of the austenite phase. Inmore » order to overcome this, in the present work, we use in-situ neutron diffraction of a uniaxial tension test of an A485 Grade 1 bearing steel specimen. The mechanical response determined from the neutron diffraction analysis was incorporated into a hybrid crystal plasticity finite element model that accounts for the martensite's crystal plasticity and the stress-assisted transformation from austenite to martensite in bearing steels. Here, the modeling response was used to estimate the single crystal elastic constants of the austenite and martensite phases. Finally, the results show that using in-situ neutron diffraction, coupled with a crystal plasticity model, can successfully predict both the micro-mechanical and macro-mechanical responses of bearing steels while accounting for the martensitic transformation of the retained austenite.« less

A micromechanical constitutive model for anisotropic cyclic deformation of super-elastic NiTi shape memory alloy single crystals

NASA Astrophysics Data System (ADS)

Yu, Chao; Kang, Guozheng; Kan, Qianhua

2015-09-01

Based on the experimental observations on the anisotropic cyclic deformation of super-elastic NiTi shape memory alloy single crystals done by Gall and Maier (2002), a crystal plasticity based micromechanical constitutive model is constructed to describe such anisotropic cyclic deformation. To model the internal stress caused by the unmatched inelastic deformation between the austenite and martensite phases on the plastic deformation of austenite phase, 24 induced martensite variants are assumed to be ellipsoidal inclusions with anisotropic elasticity and embedded in the austenite matrix. The homogeneous stress fields in the austenite matrix and each induced martensite variant are obtained by using the Mori-Tanaka homogenization method. Two different inelastic mechanisms, i.e., martensite transformation and transformation-induced plasticity, and their interactions are considered in the proposed model. Following the assumption of instantaneous domain growth (Cherkaoui et al., 1998), the Helmholtz free energy of a representative volume element of a NiTi shape memory single crystal is established and the thermodynamic driving forces of the internal variables are obtained from the dissipative inequalities. The capability of the proposed model to describe the anisotropic cyclic deformation of super-elastic NiTi single crystals is first verified by comparing the predicted results with the experimental ones. It is concluded that the proposed model can capture the main quantitative features observed in the experiments. And then, the proposed model is further used to predict the uniaxial and multiaxial transformation ratchetting of a NiTi single crystal.

Stoichiometric Effects on the Photoelectric Properties of LiInSe 2 Crystals for Neutron Detection

DOE PAGES

Guo, Lijian; Xu, Yadong; Zheng, Hongjian; ...

2018-04-16

6LiInSe 2 is a promising semiconductor candidate for thermal neutron detection due to its large capture cross-section. However, the charge collection efficiency is still insufficient for high resolution for the grown-in defects induced by the stoichiometric deviation. In this work, we report photoelectric properties of stoichiometric LiInSe 2 crystal boules up to 70 mm in length and 20 mm in diameter grown by the vertical Bridgman method. Inductively coupled plasma measurements demonstrate that the ratio of Li, In, and Se of the as-grown crystal is very close to 1:1:2, which is optimized by low temperature synthesis processing. The obtained singlemore » crystals display high bulk resistivity in the range of 10 11–10 12 Ω·cm and a direct band gap of 2.01–2.83 eV with a changeable color from red to yellow. The electronic structure of LiInSe 2 was studied using first-principles density functional theory calculations, which predicts that the antisite defects of In Li and Li In are the dominant factor for the different crystal colors observed. The stoichiometric LiInSe 2 crystal gives an improved energy resolution, for a semiconductor detector when illuminated with a 241Am@5.48 MeV α source, of 23.3%. In conclusion, the electron mobility-lifetime product (μτ) is ~2.5 × 10 –5 cm 2 V –1.« less

Study on data acquisition system based on reconfigurable cache technology

NASA Astrophysics Data System (ADS)

Zhang, Qinchuan; Li, Min; Jiang, Jun

2018-03-01

Waveform capture rate is one of the key features of digital acquisition systems, which represents the waveform processing capability of the system in a unit time. The higher the waveform capture rate is, the larger the chance to capture elusive events is and the more reliable the test result is. First, this paper analyzes the impact of several factors on the waveform capture rate of the system, then the novel technology based on reconfigurable cache is further proposed to optimize system architecture, and the simulation results show that the signal-to-noise ratio of signal, capacity, and structure of cache have significant effects on the waveform capture rate. Finally, the technology is demonstrated by the engineering practice, and the results show that the waveform capture rate of the system is improved substantially without significant increase of system's cost, and the technology proposed has a broad application prospect.

LLNL compiled first pages ordered by ascending B&R code

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

Campbell, G; Kumar, M; Tobin, J

We aim to develop a fundamental understanding of materials dynamics (from {micro}s to ns) in systems where the required combination of spatial and temporal resolution can only be reached by the dynamic transmission electron microscope (DTEM). In this regime, the DTEM is capable of studying complex transient phenomena with several orders of magnitude time resolution advantage over any existing in-situ TEM. Using the unique in situ capabilities and the nanosecond time resolution of the DTEM, we seek to study complex transient phenomena associated with rapid processes in materials, such as active sites on nanoscale catalysts and the atomic level mechanismsmore » and microstructural features for nucleation and growth associated with phase transformations in materials, specifically in martensite formation and crystallization reactions from the amorphous phase. We also will study the transient phase evolution in rapid solid-state reactions, such as those occurring in reactive multilayer foils (RMLF). Program Impact: The LLNL DTEM possesses unique capabilities for capturing time resolved images and diffraction patterns of rapidly evolving materials microstructure under strongly driven conditions. No other instrument in the world can capture images with <10 nm spatial resolution of interesting irreversible materials processes such as phase transformations, plasticity, or morphology changes with 15 ns time resolution. The development of this innovative capability requires the continuing collaboration of laser scientists, electron microscopists, and materials scientists experienced in time resolved observations of materials that exist with particularly relevant backgrounds at LLNL. The research team has made observations of materials processes that are possible by no other method, such as the rapid crystallization of thin film NiTi that identified a change in mechanism at high heating rates as compared to isothermal anneals through changes in nucleation and growth rates of the crystalline phase. The project is designed to reveal these fundamental processes and mechanisms in rapid microstructure evolution that form the foundation of understanding that is an integral part of the DOE-BES mission.« less

Crystallization of aluminum hydroxide in the aluminum-air battery: Literature review, crystallizer design and results of integrated system tests

NASA Astrophysics Data System (ADS)

Maimoni, A.

1988-03-01

The literature on aluminum trihydroxide crystallization is reviewed and the implications of crystallization on the design and performance of the aluminum-air battery are illustrated. Results of research on hydrargillite crystallization under battery operating conditions at Alcoa Laboratories, Alcan Kingston Laboratories, and Lawrence Livermore National Laboratory are summarized and are applied to the design of an electrolyte management system using lamella settlers for clarification of the electrolyte and product separation. The design principles were validated in a series of experiments that, for the first time in the aluminum-air program, demonstrated continuous operation of an integrated system consisting of cells, crystallizer, and a product-removal system.

Discrete Dislocation Dynamics Simulations of Twin Size-Effects in Magnesium

DTIC Science & Technology

2015-01-01

deformation induced softening. Over the past two decades, discrete dislocation dynamics ( DDD ) has been one of the most efficient methods to capture...14] and intermittent behavior [15] of the FCC and BCC materials. More recently, DDD simulations of Mg investigated a number of important effects...plays an important and sometimes dominant role in the mechanical behavior of both single crystals and polycrystals. As a result, such DDD simulations

Continuum-Kinetic Models and Numerical Methods for Multiphase Applications

NASA Astrophysics Data System (ADS)

Nault, Isaac Michael

This thesis presents a continuum-kinetic approach for modeling general problems in multiphase solid mechanics. In this context, a continuum model refers to any model, typically on the macro-scale, in which continuous state variables are used to capture the most important physics: conservation of mass, momentum, and energy. A kinetic model refers to any model, typically on the meso-scale, which captures the statistical motion and evolution of microscopic entitites. Multiphase phenomena usually involve non-negligible micro or meso-scopic effects at the interfaces between phases. The approach developed in the thesis attempts to combine the computational performance benefits of a continuum model with the physical accuracy of a kinetic model when applied to a multiphase problem. The approach is applied to modeling a single particle impact in Cold Spray, an engineering process that intimately involves the interaction of crystal grains with high-magnitude elastic waves. Such a situation could be classified a multiphase application due to the discrete nature of grains on the spatial scale of the problem. For this application, a hyper elasto-plastic model is solved by a finite volume method with approximate Riemann solver. The results of this model are compared for two types of plastic closure: a phenomenological macro-scale constitutive law, and a physics-based meso-scale Crystal Plasticity model.

In Situ Observation of Plastic Foaming under Static Condition, Extensional Flow and Shear Flow

NASA Astrophysics Data System (ADS)

Wong, Anson Sze Tat

Traditional blowing agents (e.g., hydrochlorofluorocarbons) in plastic foaming processes has been phasing out due to environmental regulations. Plastic foaming industry is forced to employ greener alternatives (e.g., carbon dioxide, nitrogen), but their foaming processes are technologically challenging. Moreover, to improve the competitiveness of the foaming industry, it is imperative to develop a new generation of value-added plastic foams with cell structures that can be tailored to different applications. In this context, the objective of this thesis is to achieve a thorough understanding on cell nucleation and growth phenomena that determine cell structures in plastic foaming processes. The core research strategy is to develop innovative visualization systems to capture and study these phenomena. A system with accurate heating and cooling control has been developed to observe and study crystallization-induced foaming behaviors of polymers under static conditions. The cell nucleation and initial growth behavior of polymers blown with different blowing agents (nitrogen, argon and helium, and carbon dioxide-nitrogen mixtures) have also been investigated in great detail. Furthermore, two innovative systems have been developed to simulate the dynamic conditions in industrial foaming processes: one system captures a foaming process under an easily adjustable and uniform extensional strain in a high temperature and pressure environment, while the other achieves the same target, but with shear strain. Using these systems, the extensional and shear effects on bubble nucleation and initial growth processes has been investigated independently in an isolated manner, which has never been achieved previously. The effectiveness of cell nucleating agents has also been evaluated under dynamic conditions, which have led to the identification of new foaming mechanisms based on polymer-chain alignment and generation of microvoids under stress. Knowledge generated from these researches and the wide range of future studies made possible by the visualization systems will be valuable to the development of innovative plastic foaming technologies and foams.

Highly reproducible alkali metal doping system for organic crystals through enhanced diffusion of alkali metal by secondary thermal activation.

PubMed

Lee, Jinho; Park, Chibeom; Song, Intek; Koo, Jin Young; Yoon, Taekyung; Kim, Jun Sung; Choi, Hee Cheul

2018-05-16

In this paper, we report an efficient alkali metal doping system for organic single crystals. Our system employs an enhanced diffusion method for the introduction of alkali metal into organic single crystals by controlling the sample temperature to induce secondary thermal activation. Using this system, we achieved intercalation of potassium into picene single crystals with closed packed crystal structures. Using optical microscopy and Raman spectroscopy, we confirmed that the resulting samples were uniformly doped and became K 2 picene single crystal, while only parts of the crystal are doped and transformed into K 2 picene without secondary thermal activation. Moreover, using a customized electrical measurement system, the insulator-to-semiconductor transition of picene single crystals upon doping was confirmed by in situ electrical conductivity and ex situ temperature-dependent resistivity measurements. X-ray diffraction studies showed that potassium atoms were intercalated between molecular layers of picene, and doped samples did not show any KH- nor KOH-related peaks, indicating that picene molecules are retained without structural decomposition. During recent decades, tremendous efforts have been exerted to develop high-performance organic semiconductors and superconductors, whereas as little attention has been devoted to doped organic crystals. Our method will enable efficient alkali metal doping of organic crystals and will be a resource for future systematic studies on the electrical property changes of these organic crystals upon doping.

On the origin of size-dependent and size-independent crystal growth: Influence of advection and diffusion

USGS Publications Warehouse

Kile, D.E.; Eberl, D.D.

2003-01-01

Crystal growth experiments were conducted using potassium alum and calcite crystals in aqueous solution under both non-stirred and stirred conditions to elucidate the mechanism for size-dependent (proportionate) and size-independent (constant) crystal growth. Growth by these two laws can be distinguished from each other because the relative size difference among crystals is maintained during proportionate growth, leading to a constant crystal size variance (??2) for a crystal size distribution (CSD) as the mean size increases. The absolute size difference among crystals is maintained during constant growth, resulting in a decrease in size variance. Results of these experiments show that for centimeter-sized alum crystals, proportionate growth occurs in stirred systems, whereas constant growth occurs in non-stirred systems. Accordingly, the mechanism for proportionate growth is hypothesized to be related to the supply of reactants to the crystal surface by advection, whereas constant growth is related to supply by diffusion. Paradoxically, micrometer-sized calcite crystals showed proportionate growth both in stirred and in non-stirred systems. Such growth presumably results from the effects of convection and Brownian motion, which promote an advective environment and hence proportionate growth for minute crystals in non-stirred systems, thereby indicating the importance of solution velocity relative to crystal size. Calcite crystals grown in gels, where fluid motion was minimized, showed evidence for constant, diffusion-controlled growth. Additional investigations of CSDs of naturally occurring crystals indicate that proportionate growth is by far the most common growth law, thereby suggesting that advection, rather than diffusion, is the dominant process for supplying reactants to crystal surfaces.

Cryo-TEM of morphology and kinetics of self-assembled nanostructures

NASA Astrophysics Data System (ADS)

Dong, Jingshan

Cryogenic Transmission Electron Microscopy (Cryo-TEM) is applied to study various structures in solutions and suspensions from micron to nanometer scale. By vitrifying the liquid samples at different moments, sequential stages of a dynamic process can be frozen and the structures occurring from about 30 sec to over 10 min can be imaged. Therefore a picture of how the structures evolve with time in the liquid systems can be established. This method has been proven to be a powerful technique in studying the morphology and kinetics of self-assembled nanostructures. Such a pseudo-in-situ technique is used to "watch" the crystallization process of silver stearate (AgSt) from sodium stearate (NaSt) dispersions. AgSt crystal is produced from a reaction of NaSt and silver nitrate. The reaction, as a AgSt crystallization process, starts from AgSt micelles, which aggregate and grow into hexagonal shaped crystals of about 10 microns. If silver bromide (AgBr) grains are present, the micelles do not prefer to aggregate, but rather deposit on the surface of the AgBr crystalline grains. Variation of the carboxylate chain length does not affect the crystallization process very much, although the morphology of both the reactant and the product is changed. Nanostructure transition in sodium lauryl ether sulfate (SLES) solutions is investigated as well. A micellar network structure can form if equal molar calcium chloride is added to 3 wt% SLES solution. The network can be broken into wormlike micelle segments such as spheres and rods by sonication. After about 10 min, these broken pieces can reassemble and reform the network through wormlike micelle growth and connection. Also by using Cryo-TEM, 100-200 nm casein micelles are observed at 1 wt% casein solution, but aggregated submicelles cannot be distinguished. However, individual submicelles of about 30 nm are indeed captured in a 0.03 wt% solution. By adding acid or EDTA, the casein micelles can be disrupted into small particles, the size of which is close to the estimated radius of gyration of single casein molecules.

Application of enthalpy model for floating zone silicon crystal growth

NASA Astrophysics Data System (ADS)

Krauze, A.; Bergfelds, K.; Virbulis, J.

2017-09-01

A 2D simplified crystal growth model based on the enthalpy method and coupled with a low-frequency harmonic electromagnetic model is developed to simulate the silicon crystal growth near the external triple point (ETP) and crystal melting on the open melting front of a polycrystalline feed rod in FZ crystal growth systems. Simulations of the crystal growth near the ETP show significant influence of the inhomogeneities of the EM power distribution on the crystal growth rate for a 4 in floating zone (FZ) system. The generated growth rate fluctuations are shown to be larger in the system with higher crystal pull rate. Simulations of crystal melting on the open melting front of the polycrystalline rod show the development of melt-filled grooves at the open melting front surface. The distance between the grooves is shown to grow with the increase of the skin-layer depth in the solid material.

Systems Analysis of Physical Absorption of CO2 in Ionic Liquids for Pre-Combustion Carbon Capture.

PubMed

Zhai, Haibo; Rubin, Edward S

2018-04-17

This study develops an integrated technical and economic modeling framework to investigate the feasibility of ionic liquids (ILs) for precombustion carbon capture. The IL 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide is modeled as a potential physical solvent for CO 2 capture at integrated gasification combined cycle (IGCC) power plants. The analysis reveals that the energy penalty of the IL-based capture system comes mainly from the process and product streams compression and solvent pumping, while the major capital cost components are the compressors and absorbers. On the basis of the plant-level analysis, the cost of CO 2 avoided by the IL-based capture and storage system is estimated to be $63 per tonne of CO 2 . Technical and economic comparisons between IL- and Selexol-based capture systems at the plant level show that an IL-based system could be a feasible option for CO 2 capture. Improving the CO 2 solubility of ILs can simplify the capture process configuration and lower the process energy and cost penalties to further enhance the viability of this technology.

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

Righettoni, Marco; Pratsinis, Sotiris E., E-mail: sotiris.pratsinis@ptl.mavt.ethz.ch

Highlights: • Flame-made WO{sub 3} nanoparticles with closely controlled crystal and grain size. • Dynamic phase transition of annealing of pure and Si-doped WO{sub 3} by in situ XRD. • Irreversible evolution of WO{sub 3} crystallinity by heating/cooling during its annealing. • Si-doping alters the WO{sub 3} crystallinity dynamics and stabilizes nanosized WO{sub 3}. • Flame-made nano-WO{sub 3} can sense NO at the ppb level. - Abstract: Tungsten trioxide is a semiconductor with distinct applications in gas sensors, catalysis, batteries and pigments. As such the transition between its different crystal structures during its annealing are of interest, especially for sensormore » applications. Here, WO{sub 3} nanoparticles with closely controlled crystal and grain size (9–15 nm) and phase composition are made by flame spray pyrolysis and the formation of different WO{sub 3} phases during annealing is investigated. Most notably, the dynamic phase transition and crystal size evolution of WO{sub 3} during heating and cooling is monitored by in situ X-ray diffraction revealing how metastable WO{sub 3} phases can be captured stably. The effect of Si-doping is studied since it is used in practise to control crystal growth and phase transition during metal oxide synthesis and processing. Finally the influence of annealing on the WO{sub 3} sensing performance of NO, a lung inflammation tracer in the human breath, is explored at the ppb-level.« less

An anisotropic elastoplasticity model implemented in FLAG

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

Buechler, Miles Allen; Canfield, Thomas R.

2017-10-12

Many metals, including Tantalum and Zirconium, exhibit anisotropic elastoplastic behavior at the single crystal level, and if components are manufactured from these metals through forming processes the polycrystal (component) may also exhibit anisotropic elastoplastic behavior. This is because the forming can induce a preferential orientation of the crystals in the polycrystal. One example is a rolled plate of Uranium where the sti /strong orientation of the crystal (c-axis) tends to align itself perpendicular to the rolling direction. If loads are applied to this plate in di erent orientations the sti ness as well as the ow strength of the materialmore » will be greater in the through thickness direction than in other directions. To better accommodate simulations of such materials, an anisotropic elastoplasticity model has been implemented in FLAG. The model includes an anisotropic elastic stress model as well as an anisotropic plasticity model. The model could represent single crystals of any symmetry, though it should not be confused with a high- delity crystal plasticity model with multiple slip planes and evolutions. The model is most appropriate for homogenized polycrystalline materials. Elastic rotation of the material due to deformation is captured, so the anisotropic models are appropriate for arbitrary large rotations, but currently they do not account for signi cant change in material texture beyond the elastic rotation of the entire polycrystal.« less

Investigation of the Electromagnetic Radiation Emitted by Sub-GeV Electrons in a Bent Crystal.

PubMed

Bandiera, L; Bagli, E; Germogli, G; Guidi, V; Mazzolari, A; Backe, H; Lauth, W; Berra, A; Lietti, D; Prest, M; De Salvador, D; Vallazza, E; Tikhomirov, V

2015-07-10

The radiation emitted by 855 MeV electrons via planar channeling and volume reflection in a 30.5-μm-thick bent Si crystal has been investigated at the MAMI (Mainzer Mikrotron) accelerator. The spectral intensity was much more intense than for an equivalent amorphous material, and peaked in the MeV range in the case of channeling radiation. Differently from a straight crystal, also for an incidence angle larger than the Lindhard angle, the spectral intensity remains nearly as high as for channeling. This is due to volume reflection, for which the intensity remains high at a large incidence angle over the whole angular acceptance, which is equal to the bending angle of the crystal. Monte Carlo simulations demonstrated that incoherent scattering significantly influences both the radiation spectrum and intensity, either for channeling or volume reflection. In the latter case, it has been shown that incoherent scattering increases the radiation intensity due to the contribution of volume-captured particles. As a consequence, the experimental spectrum becomes a mixture of channeling and pure volume reflection radiations. These results allow a better understanding of the radiation emitted by electrons subjected to coherent interactions in bent crystals within a still-unexplored energy range, which is relevant for possible applications for innovative and compact x-ray or γ-ray sources.

Development of an automated large-scale protein-crystallization and monitoring system for high-throughput protein-structure analyses.

PubMed

Hiraki, Masahiko; Kato, Ryuichi; Nagai, Minoru; Satoh, Tadashi; Hirano, Satoshi; Ihara, Kentaro; Kudo, Norio; Nagae, Masamichi; Kobayashi, Masanori; Inoue, Michio; Uejima, Tamami; Oda, Shunichiro; Chavas, Leonard M G; Akutsu, Masato; Yamada, Yusuke; Kawasaki, Masato; Matsugaki, Naohiro; Igarashi, Noriyuki; Suzuki, Mamoru; Wakatsuki, Soichi

2006-09-01

Protein crystallization remains one of the bottlenecks in crystallographic analysis of macromolecules. An automated large-scale protein-crystallization system named PXS has been developed consisting of the following subsystems, which proceed in parallel under unified control software: dispensing precipitants and protein solutions, sealing crystallization plates, carrying robot, incubators, observation system and image-storage server. A sitting-drop crystallization plate specialized for PXS has also been designed and developed. PXS can set up 7680 drops for vapour diffusion per hour, which includes time for replenishing supplies such as disposable tips and crystallization plates. Images of the crystallization drops are automatically recorded according to a preprogrammed schedule and can be viewed by users remotely using web-based browser software. A number of protein crystals were successfully produced and several protein structures could be determined directly from crystals grown by PXS. In other cases, X-ray quality crystals were obtained by further optimization by manual screening based on the conditions found by PXS.

THF water hydrate crystallization: an experimental investigation

NASA Astrophysics Data System (ADS)

Devarakonda, Surya; Groysman, Alexander; Myerson, Allan S.

1999-08-01

Supersaturated solutions of THF-water hydrate system were experimentally studied before and during crystallization, to examine the system's behavior in the metastable zone and observe any anomalies suggesting cluster formation. Nucleation induction time measurements, with and without additives, were performed to screen potential growth inhibitors. Shifts in the onset points of crystallization for water and THF-water mixtures with additives were measured using differential scanning calorimetry (DSC). Aspartame was among one of the few successfully screened inhibitors. Preliminary on-line crystal size distribution (CSD) measurements were performed on this system to monitor the crystal size during crystallization. The CSD data was also used to compute the hydrate crystal growth rates, which were found to be in the order of 145 μm/h.

System and process for capture of H.sub.2S from gaseous process streams and process for regeneration of the capture agent

DOEpatents

Heldenbrant, David J; Koech, Phillip K; Rainbolt, James E; Bearden, Mark D; Zheng, Feng

2014-02-18

A system and process are disclosed for selective removal and recovery of H.sub.2S from a gaseous volume, e.g., from natural gas. Anhydrous organic, sorbents chemically capture H.sub.2S gas to form hydrosulfide salts. Regeneration of the capture solvent involves addition of an anti-solvent that releases the captured H.sub.2S gas from the capture sorbent. The capture sorbent and anti-solvent are reactivated for reuse, e.g., by simple distillation.

40 CFR 63.4361 - How do I determine the emission capture system efficiency?

Code of Federal Regulations, 2010 CFR

2010-07-01

... from the web coating/printing operation surfaces they are applied to occurs within the capture system... system efficiency? 63.4361 Section 63.4361 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... emission capture system efficiency? You must use the procedures and test methods in this section to...

Crystallization modifiers in lipid systems.

PubMed

Ribeiro, Ana Paula Badan; Masuchi, Monise Helen; Miyasaki, Eriksen Koji; Domingues, Maria Aliciane Fontenele; Stroppa, Valter Luís Zuliani; de Oliveira, Glazieli Marangoni; Kieckbusch, Theo Guenter

2015-07-01

Crystallization of fats is a determinant physical event affecting the structure and properties of fat-based products. The stability of these processed foods is regulated by changes in the physical state of fats and alterations in their crystallization behavior. Problems like polymorphic transitions, oil migration, fat bloom development, slow crystallization and formation of crystalline aggregates stand out. The change of the crystallization behavior of lipid systems has been a strategic issue for the processing of foods, aiming at taylor made products, reducing costs, improving quality, and increasing the applicability and stability of different industrial fats. In this connection, advances in understanding the complex mechanisms that govern fat crystallization led to the development of strategies in order to modulate the conventional processes of fat structuration, based on the use of crystallization modifiers. Different components have been evaluated, such as specific triacyglycerols, partial glycerides (monoacylglycerols and diacylglycerols), free fatty acids, phospholipids and emulsifiers. The knowledge and expertise on the influence of these specific additives or minor lipids on the crystallization behavior of fat systems represents a focus of current interest for the industrial processing of oils and fats. This article presents a comprehensive review on the use of crystallization modifiers in lipid systems, especially for palm oil, cocoa butter and general purpose fats, highlighting: i) the removal, addition or fractionation of minor lipids in fat bases; ii) the use of nucleating agents to modify the crystallization process; iii) control of crystallization in lipid bases by using emulsifiers. The addition of these components into lipid systems is discussed in relation to the phenomena of nucleation, crystal growth, morphology, thermal behavior and polymorphism, with the intention of providing the reader with a complete panorama of the associated mechanisms with crystallization of fats and oils.

Spectral Performance of a Composite Single-Crystal Filtered Thermal Neutron Beam for BNCT Research at the University of Missouri

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

J. Brockman; D. W. Nigg; M. F. Hawthorne

2009-07-01

Parameter studies, design calculations and initial neutronic performance measurements have been completed for a new thermal neutron beamline to be used for neutron capture therapy cell and small-animal radiobiology studies at the University of Missouri Research Reactor. The beamline features the use of single-crystal silicon and bismuth sections for neutron filtering and for reduction of incident gamma radiation. The calculated and measured thermal neutron fluxes produced at the irradiation location are 9.6x108 and 8.8x108 neutrons/cm2-s, respectively. Calculated and measured cadmium ratios (Au foils) are 217 and 132. These results indicate a well-thermalized neutron spectrum with sufficient thermal neutron flux formore » a variety of small animal BNCT studies.« less

Non-interferometric phase retrieval using refractive index manipulation.

PubMed

Chen, Chyong-Hua; Hsu, Hsin-Feng; Chen, Hou-Ren; Hsieh, Wen-Feng

2017-04-07

We present a novel, inexpensive and non-interferometric technique to retrieve phase images by using a liquid crystal phase shifter without including any physically moving parts. First, we derive a new equation of the intensity-phase relation with respect to the change of refractive index, which is similar to the transport of the intensity equation. The equation indicates that this technique is unneeded to consider the variation of magnifications between optical images. For proof of the concept, we use a liquid crystal mixture MLC 2144 to manufacture a phase shifter and to capture the optical images in a rapid succession by electrically tuning the applied voltage of the phase shifter. Experimental results demonstrate that this technique is capable of reconstructing high-resolution phase images and to realize the thickness profile of a microlens array quantitatively.

Privacy-preserving screen capture: towards closing the loop for health IT usability.

PubMed

Cooley, Joseph; Smith, Sean

2013-08-01

As information technology permeates healthcare (particularly provider-facing systems), maximizing system effectiveness requires the ability to document and analyze tricky or troublesome usage scenarios. However, real-world health IT systems are typically replete with privacy-sensitive data regarding patients, diagnoses, clinicians, and EMR user interface details; instrumentation for screen capture (capturing and recording the scenario depicted on the screen) needs to respect these privacy constraints. Furthermore, real-world health IT systems are typically composed of modules from many sources, mission-critical and often closed-source; any instrumentation for screen capture can rely neither on access to structured output nor access to software internals. In this paper, we present a tool to help solve this problem: a system that combines keyboard video mouse (KVM) capture with automatic text redaction (and interactively selectable unredaction) to produce precise technical content that can enrich stakeholder communications and improve end-user influence on system evolution. KVM-based capture makes our system both application-independent and OS-independent because it eliminates software-interface dependencies on capture targets. Using a corpus of EMR screenshots, we present empirical measurements of redaction effectiveness and processing latency to demonstrate system performances. We discuss how these techniques can translate into instrumentation systems that improve real-world health IT deployments. Copyright © 2013 Elsevier Inc. All rights reserved.

Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.

PubMed

Horrell, Sam; Antonyuk, Svetlana V; Eady, Robert R; Hasnain, S Samar; Hough, Michael A; Strange, Richard W

2016-07-01

Relating individual protein crystal structures to an enzyme mechanism remains a major and challenging goal for structural biology. Serial crystallography using multiple crystals has recently been reported in both synchrotron-radiation and X-ray free-electron laser experiments. In this work, serial crystallography was used to obtain multiple structures serially from one crystal (MSOX) to study in crystallo enzyme catalysis. Rapid, shutterless X-ray detector technology on a synchrotron MX beamline was exploited to perform low-dose serial crystallography on a single copper nitrite reductase crystal, which survived long enough for 45 consecutive 100 K X-ray structures to be collected at 1.07-1.62 Å resolution, all sampled from the same crystal volume. This serial crystallography approach revealed the gradual conversion of the substrate bound at the catalytic type 2 Cu centre from nitrite to nitric oxide, following reduction of the type 1 Cu electron-transfer centre by X-ray-generated solvated electrons. Significant, well defined structural rearrangements in the active site are evident in the series as the enzyme moves through its catalytic cycle, namely nitrite reduction, which is a vital step in the global denitrification process. It is proposed that such a serial crystallography approach is widely applicable for studying any redox or electron-driven enzyme reactions from a single protein crystal. It can provide a 'catalytic reaction movie' highlighting the structural changes that occur during enzyme catalysis. The anticipated developments in the automation of data analysis and modelling are likely to allow seamless and near-real-time analysis of such data on-site at some of the powerful synchrotron crystallographic beamlines.

Effects of Convective Transport of Solute and Impurities on Defect-Causing Kinetics Instabilities

NASA Technical Reports Server (NTRS)

Vekilov, Peter G.; Higginbotham, Henry Keith (Technical Monitor)

2001-01-01

For in-situ studies of the formation and evolution of step patterns during the growth of protein crystals, we have designed and assembled an experimental setup based on Michelson interferometry with the surface of the growing protein crystal as one of the reflective surfaces. The crystallization part of the device allows optical monitoring of a face of a crystal growing at temperature stable within 0.05 C in a developed solution flow of controlled direction and speed. The reference arm of the interferometer contains a liquid-crystal element that allows controlled shifts of the phase of the interferograms. We employ an image processing algorithm which combines five images with a pi/2 phase difference between each pair of images. The images are transferred to a computer by a camera capable of capturing 6-8 frames per second. The device allows data collection data regarding growth over a relatively large area (approximately .3 sq. mm) in-situ and in real time during growth. The estimated dept resolution of the phase shifting interferometry is about 100 A. The lateral resolution, depending on the zoom ratio, varies between 0.3 and 0.6 micrometers. We have now collected quantitative results on the onset, initial stages and development of instabilities in moving step trains on vicinal crystal surfaces at varying supersaturation, position on the facet, crystal size and temperature with the proteins ferritin, apoferritin and thaumatin. Comparisons with theory, especially with the AFM results on the molecular level processes, see below, allow tests of the rational for the effects of convective flows and, as a particular case, the lack thereof, on step bunching.

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

Narayan, Tarun C.; Hayee, Fariah; Baldi, Andrea

Many energy storage materials undergo large volume changes during charging and discharging. The resulting stresses often lead to defect formation in the bulk, but less so in nanosized systems. Here, we capture in real time the mechanism of one such transformation—the hydrogenation of single-crystalline palladium nanocubes from 15 to 80 nm—to better understand the reason for this durability. First, using environmental scanning transmission electron microscopy, we monitor the hydrogen absorption process in real time with 3 nm resolution. Then, using dark-field imaging, we structurally examine the reaction intermediates with 1 nm resolution. The reaction proceeds through nucleation and growth ofmore » the new phase in corners of the nanocubes. As the hydrogenated phase propagates across the particles, portions of the lattice misorient by 1.5%, diminishing crystal quality. Once transformed, all the particles explored return to a pristine state. As a result, the nanoparticles’ ability to remove crystallographic imperfections renders them more durable than their bulk counterparts.« less

Towards a Quantum Interface between Diamond Spin Qubits and Phonons in an Optical Trap

NASA Astrophysics Data System (ADS)

Ji, Peng; Momeen, M. Ummal; Hsu, Jen-Feng; D'Urso, Brian; Dutt, Gurudev

2014-05-01

We introduce a method to optically levitate a pre-selected nanodiamond crystal in air or vacuum. The nanodiamond containing nitrogen-vacancy (NV) centers is suspended on a monolayer of graphene transferred onto a patterned substrate. Laser light is focused onto the sample, using a home-built confocal microscope with a high numerical aperture (NA = 0.9) objective, simultaneously burning the graphene and creating a 3D optical trap that captures the falling nano-diamond at the beam waist. The trapped diamond is an ultra-high-Q mechanical oscillator, allowing us to engineer strong linear and quadratic coupling between the spin of the NV center and the phonon mode. The system could result in an ideal quantum interface between a spin qubit and vibrational phonon mode, potentially enabling applications in quantum information processing and sensing the development of quantum information storage and processing.

Experimental Study of Sr Partitioning into Calcite at Various Linear Growth Rates and Temperatures: Preliminary Results.

NASA Astrophysics Data System (ADS)

Gabitov, R. I.; Watson, B. E.

2004-05-01

The surface of a crystal in equilibrium with surrounding fluid can have a composition that differs from the bulk crystal. If growth rate of the crystal exceeds a minimum value at which partitioning-equilibrium can be maintained, then the crystal surface composition may be "captured" by the newly-formed lattice. The degree of this entrapment increases with increasing crystal growth rate. Non-equlibrium partitioning of Sr into calcite probably occurs by this entrapment mechanism. Sr and calcite are geochemically significant in understanding the thermal history of the ocean because the substitution of Sr for Ca in calcite is temperature dependent. To improve our understanding of the partitioning of Sr into calcite, we conducted two different types of experiment: 1) calcite growth from Sr-bearing solution with analysis of the crystal cross-section by electron microprobe (bulk crystal-liquid runs); and 2) treatment of calcite cleavage surfaces with Sr-bearing solutions and examination of the top few nm surface layer by X-ray photoelectron spectroscopy (surface-liquid runs). In the series of bulk-liquid experiments crystals were grown by three different procedures: 1) precipitation on glass slide (pre-coated with calcite), where a steady flow of CaCl2 - SrCl2 and Na2CO3 solutions were mixed just before passage through a tube and allowed to drip onto a slide ("cave"-type experiments, ionic strength I=0.01); 2) growth from a CaCl2 - NH4Cl - SrCl2 solution by diffusion of CO2 from an ammonium carbonate source ("drift" experiments, I=0.52); 3) coarsening of small calcite crystals in the CaCO3-SrCO3-NaCl-H2O system at 800-950° C and 0.5-1 kb in a cold seal apparatus. The growth rate of individual crystals was determined by periodic monitoring of crystal size with time or roughly by comparison of final size with duration of the experiment. Surface-liquid experiments were performed by treatment of cleavage surfaces of natural calcite fragments in a Sr(ClO4)2 solution for 1 minute. After treatment the remaining solution was blown out by a stream of nitrogen to preclude the precipitation of Sr phase. We observed that the precipitated calcite crystals can be very different in size even if the runs have the same input rate of calcite components. The cave-type and cold-seal runs yielded 15-40 μ m calcites, but in the drift experiments crystal size varied between 60 μ m and 1 mm. Electron microprobe analysis across the large crystals show that the concentration of Sr is higher in the center and decreases toward the edge. This is probably due to the cube-root dependence of radial growth on the volume change of the growing crystals. Like previous workers who measured bulk uptake of Sr as a function of precipitation rate, we observed that increased growth rate (V, nm/s) enhances Sr uptake into the crystal, raising Kdbulk/liquid=(Sr/Ca)bulk/(Sr/Ca)liquid. Kdbulk/liquid = 0.03 to 0.06 when log(V)=-1.1 to -0.6 at 25° C in the cave-type runs (I=0.01). At higher ionic strength (I=0.52) and T=55° C, Kdbulk/liquid=0.11 to 0.15 when log(V)=-0.6 to 0.4 in the drift experiments. XPS analysis of surface-liquid experiments yielded higher Kdsurface/liquid=(Sr/Ca)surface/(Sr/Ca)liquid values compared with Kdbulk/liquid. This combined evidence supports the idea that Sr is enriched at the calcite surface relative to the bulk crystal during crystal growth.

Direct flow crystal growth system

DOEpatents

Montgomery, Kenneth E.; Milanovich, Fred P.

1992-01-01

A crystal is grown in a constantly filtered solution which is flowed directly into the growing face of a crystal. In a continuous flow system, solution at its saturation temperature is removed from a crystal growth tank, heated above its saturation temperature, filtered, cooled back to its saturation temperature, and returned to the tank.

Approaches to automated protein crystal harvesting

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

Deller, Marc C., E-mail: mdeller@scripps.edu; Rupp, Bernhard, E-mail: mdeller@scripps.edu

Approaches to automated and robot-assisted harvesting of protein crystals are critically reviewed. While no true turn-key solutions for automation of protein crystal harvesting are currently available, systems incorporating advanced robotics and micro-electromechanical systems represent exciting developments with the potential to revolutionize the way in which protein crystals are harvested.

Microgravity

NASA Image and Video Library

1992-02-21

Vapor Crystal Growth System developed in IML-1, Mercuric Iodide Crystal grown in microgravity FES/VCGS (Fluids Experiment System/Vapor Crystal Growth Facility). During the mission, mercury iodide source material was heated, vaporized, and transported to a seed crystal where the vapor condensed. Mercury iodide crystals have practical uses as sensitive X-ray and gamma-ray detectors. In addition to their excellent optical properties, these crystals can operate at room temperature, which makes them useful for portable detector devices for nuclear power plant monitoring, natural resource prospecting, biomedical applications, and astronomical observing.

Highly Adsorptive, MOF-Functionalized Nonwoven Fiber Mats for Hazardous Gas Capture Enabled by Atomic Layer Deposition

DTIC Science & Technology

2014-03-20

ligands, [ 3 ] exhibit high surface area, good thermal stability, and have signifi cant synthetic versatility, ena- bling structures with tunable pore...sizes and adjustable internal functionality. [ 4 ] MOF synthesis usually follows wet solvo- thermal batch methods, producing pow- ders that require...surface areas—limiting applicability. For example, Kuesgens et al. grew HKUST-1 crystals on pulp fibers using direct solvo- thermal synthesis and found

Stage-Rocked Electron Channeling for Crystal Orientation Mapping (Postprint)

DTIC Science & Technology

2018-03-26

SUPPLEMENTARY NOTES PA Case Number: 88ABW-2017-6217; Clearance Date: 11 Dec 2017. This document contains color . Journal article published in...broad adoption of this technique. In addition, it suffers from poor spatial resolution (~500 nm) and limited angular field of view (FOV) (typically 10...EBSD (or less commonly SACP) the specimen can be tilted into a “ two -beam” condition19. By capturing BSE images at several condi- tions, the Burger’s

A Systematic Approach for Evaluation of Capture Zones at Pump and Treat Systems

EPA Science Inventory

This document describes a systematic approach for performing capture zone analysis associated with ground water pump and treat systems. A “capture zone” refers to the three-dimensional region that contributes the ground water extracted by one or more wells or drains. A capture ...

Evaluation of Uniform Cost Accounting System to Fully Capture Depot Level Repair Costs.

DTIC Science & Technology

1985-12-01

RD-RI65 522 EVALUATION OF UNIFORM COST ACCOUNTING SYSTEM TO FULLY i/I CAPTURE DEPOT LEVEL REPAIR COSTS (U) NAVAL POSTGRADUATE SCHOOL MONTEREY CA D R...8217.LECTE B ,- THESIS EVALUATION OF UNIFORM COST ACCOUNTING SYSTEM 0TO FULLY CAPTURE DEPOT LEVEL REPAIR COSTS Jby __jDavid Richmond O’Brien lj,,, December...Include Security Classification) EVALUATION OF UNIFORM COST ACCOUNTING SYSTEM TO FULLY CAPTURE DEPOT LEVEL REPAIR COSTS 12 PERSONAL AUTHOR(S) O’Brien- David

Portable pathogen detection system

DOEpatents

Colston, Billy W.; Everett, Matthew; Milanovich, Fred P.; Brown, Steve B.; Vendateswaran, Kodumudi; Simon, Jonathan N.

2005-06-14

A portable pathogen detection system that accomplishes on-site multiplex detection of targets in biological samples. The system includes: microbead specific reagents, incubation/mixing chambers, a disposable microbead capture substrate, and an optical measurement and decoding arrangement. The basis of this system is a highly flexible Liquid Array that utilizes optically encoded microbeads as the templates for biological assays. Target biological samples are optically labeled and captured on the microbeads, which are in turn captured on an ordered array or disordered array disposable capture substrate and then optically read.

Crystal growth and annealing method and apparatus

DOEpatents

Gianoulakis, Steven E.; Sparrow, Robert

2001-01-01

A method and apparatus for producing crystals that minimizes birefringence even at large crystal sizes, and is suitable for production of CaF.sub.2 crystals. The method of the present invention comprises annealing a crystal by maintaining a minimal temperature gradient in the crystal while slowly reducing the bulk temperature of the crystal. An apparatus according to the present invention includes a thermal control system added to a crystal growth and annealing apparatus, wherein the thermal control system allows a temperature gradient during crystal growth but minimizes the temperature gradient during crystal annealing. An embodiment of the present invention comprises a secondary heater incorporated into a conventional crystal growth and annealing apparatus. The secondary heater supplies heat to minimize the temperature gradients in the crystal during the annealing process. The secondary heater can mount near the bottom of the crucible to effectively maintain appropriate temperature gradients.

A knowledge-based system design/information tool

NASA Technical Reports Server (NTRS)

Allen, James G.; Sikora, Scott E.

1990-01-01

The objective of this effort was to develop a Knowledge Capture System (KCS) for the Integrated Test Facility (ITF) at the Dryden Flight Research Facility (DFRF). The DFRF is a NASA Ames Research Center (ARC) facility. This system was used to capture the design and implementation information for NASA's high angle-of-attack research vehicle (HARV), a modified F/A-18A. In particular, the KCS was used to capture specific characteristics of the design of the HARV fly-by-wire (FBW) flight control system (FCS). The KCS utilizes artificial intelligence (AI) knowledge-based system (KBS) technology. The KCS enables the user to capture the following characteristics of automated systems: the system design; the hardware (H/W) design and implementation; the software (S/W) design and implementation; and the utilities (electrical and hydraulic) design and implementation. A generic version of the KCS was developed which can be used to capture the design information for any automated system. The deliverable items for this project consist of the prototype generic KCS and an application, which captures selected design characteristics of the HARV FCS.

A compact disk-like centrifugal microfluidic system for high-throughput nanoliter-scale protein crystallization screening.

PubMed

Li, Gang; Chen, Qiang; Li, Junjun; Hu, Xiaojian; Zhao, Jianlong

2010-06-01

A centrifuge-based microfluidic system has been developed that enables automated high-throughput and low-volume protein crystallizations. In this system, protein solution was automatically and accurately metered and dispensed into nanoliter-sized multiple reaction chambers, and it was mixed with various types of precipitants using a combination of capillary effect and centrifugal force. It has the advantages of simple fabrication, easy operation, and extremely low waste. To demonstrate the feasibility of this system, we constructed a chip containing 24 units and used it to perform lysozyme and cyan fluorescent protein (CyPet) crystallization trials. The results demonstrate that high-quality crystals can be grown and harvested from such a nanoliter-volume microfluidic system. Compared to other microfluidic technologies for protein crystallization, this microfluidic system allows zero waste, simple structure and convenient operation, which suggests that our microfluidic disk can be applied not only to protein crystallization, but also to the miniaturization of various biochemical reactions requiring precise nanoscale control.

Protein crystallization in a 100 nl solution with new stirring equipment

PubMed Central

Maki, S.; Murai, R.; Yoshikawa, H. Y.; Kitatani, T.; Nakata, S.; Kawahara, H.; Hasenaka, H.; Kobayashi, A.; Okada, S.; Sugiyama, S.; Adachi, H.; Matsumura, H.; Takano, K.; Murakami, S.; Inoue, T.; Sasaki, T.; Mori, Y.

2008-01-01

To investigate quantitatively the effects of stirring on protein crystallization, a new stirring system which can agitate a protein solution, ∼100 nl, by providing Hagen–Poiseuille flow has been successfully developed. In addition, this new stirring system provides flow with a well defined pattern and velocity. Using this system, hen egg-white lysozyme was crystallized in 100–200 nl solutions while being stirred. The optimum stirring conditions for lysozyme crystals have been explored by evaluating the Reynolds (Re) number and the crystals obtained. Intermittent flow, as well as a low Re number, was found to contribute significantly to the growth of a smaller number of larger crystals. PMID:18421156

Sustainable Capture: Concepts for Managing Stream-Aquifer Systems.

PubMed

Davids, Jeffrey C; Mehl, Steffen W

2015-01-01

Most surface water bodies (i.e., streams, lakes, etc.) are connected to the groundwater system to some degree so that changes to surface water bodies (either diversions or importations) can change flows in aquifer systems, and pumping from an aquifer can reduce discharge to, or induce additional recharge from streams, springs, and lakes. The timescales of these interactions are often very long (decades), making sustainable management of these systems difficult if relying only on observations of system responses. Instead, management scenarios are often analyzed based on numerical modeling. In this paper we propose a framework and metrics that can be used to relate the Theis concepts of capture to sustainable measures of stream-aquifer systems. We introduce four concepts: Sustainable Capture Fractions, Sustainable Capture Thresholds, Capture Efficiency, and Sustainable Groundwater Storage that can be used as the basis for developing metrics for sustainable management of stream-aquifer systems. We demonstrate their utility on a hypothetical stream-aquifer system where pumping captures both streamflow and discharge to phreatophytes at different amounts based on pumping location. In particular, Capture Efficiency (CE) can be easily understood by both scientists and non-scientist alike, and readily identifies vulnerabilities to sustainable stream-aquifer management when its value exceeds 100%. © 2014, National Ground Water Association.

Samba: a real-time motion capture system using wireless camera sensor networks.

PubMed

Oh, Hyeongseok; Cha, Geonho; Oh, Songhwai

2014-03-20

There is a growing interest in 3D content following the recent developments in 3D movies, 3D TVs and 3D smartphones. However, 3D content creation is still dominated by professionals, due to the high cost of 3D motion capture instruments. The availability of a low-cost motion capture system will promote 3D content generation by general users and accelerate the growth of the 3D market. In this paper, we describe the design and implementation of a real-time motion capture system based on a portable low-cost wireless camera sensor network. The proposed system performs motion capture based on the data-driven 3D human pose reconstruction method to reduce the computation time and to improve the 3D reconstruction accuracy. The system can reconstruct accurate 3D full-body poses at 16 frames per second using only eight markers on the subject's body. The performance of the motion capture system is evaluated extensively in experiments.

Samba: A Real-Time Motion Capture System Using Wireless Camera Sensor Networks

PubMed Central

Oh, Hyeongseok; Cha, Geonho; Oh, Songhwai

2014-01-01

There is a growing interest in 3D content following the recent developments in 3D movies, 3D TVs and 3D smartphones. However, 3D content creation is still dominated by professionals, due to the high cost of 3D motion capture instruments. The availability of a low-cost motion capture system will promote 3D content generation by general users and accelerate the growth of the 3D market. In this paper, we describe the design and implementation of a real-time motion capture system based on a portable low-cost wireless camera sensor network. The proposed system performs motion capture based on the data-driven 3D human pose reconstruction method to reduce the computation time and to improve the 3D reconstruction accuracy. The system can reconstruct accurate 3D full-body poses at 16 frames per second using only eight markers on the subject's body. The performance of the motion capture system is evaluated extensively in experiments. PMID:24658618

Interfacial free energy and stiffness of aluminum during rapid solidification

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

Brown, Nicholas T.; Martinez, Enrique; Qu, Jianmin

Using molecular dynamics simulations and the capillary fluctuation method, we have calculated the anisotropic crystal-melt interfacial free energy and stiffness of aluminum in a rapid solidification system where a temperature gradient is applied to enforce thermal non-equilibrium. To calculate these material properties, the standard capillary fluctuation method typically used for systems in equilibrium has been modified to incorporate a second-order Taylor expansion of the interfacial free energy term. The result is a robust method for calculating interfacial energy, stiffness and anisotropy as a function of temperature gradient using the fluctuations in the defined interface height. This work includes the calculationmore » of interface characteristics for temperature gradients ranging from 11 to 34 K/nm. The captured results are compared to a thermal equilibrium case using the same model and simulation technique with a zero gradient definition. We define the temperature gradient as the change in temperature over height perpendicular to the crystal-melt interface. The gradients are applied in MD simulations using defined thermostat regions on a stable solid-liquid interface initially in thermal equilibrium. The results of this work show that the interfacial stiffness and free energy for aluminum are dependent on the magnitude of the temperature gradient, however the anisotropic parameters remain independent of the non-equilibrium conditions applied in this analysis. As a result, the relationships of the interfacial free energy/stiffness are determined to be linearly related to the thermal gradient, and can be interpolated to find material characteristics at additional temperature gradients.« less

Interfacial free energy and stiffness of aluminum during rapid solidification

DOE PAGES

Brown, Nicholas T.; Martinez, Enrique; Qu, Jianmin

2017-05-01

Using molecular dynamics simulations and the capillary fluctuation method, we have calculated the anisotropic crystal-melt interfacial free energy and stiffness of aluminum in a rapid solidification system where a temperature gradient is applied to enforce thermal non-equilibrium. To calculate these material properties, the standard capillary fluctuation method typically used for systems in equilibrium has been modified to incorporate a second-order Taylor expansion of the interfacial free energy term. The result is a robust method for calculating interfacial energy, stiffness and anisotropy as a function of temperature gradient using the fluctuations in the defined interface height. This work includes the calculationmore » of interface characteristics for temperature gradients ranging from 11 to 34 K/nm. The captured results are compared to a thermal equilibrium case using the same model and simulation technique with a zero gradient definition. We define the temperature gradient as the change in temperature over height perpendicular to the crystal-melt interface. The gradients are applied in MD simulations using defined thermostat regions on a stable solid-liquid interface initially in thermal equilibrium. The results of this work show that the interfacial stiffness and free energy for aluminum are dependent on the magnitude of the temperature gradient, however the anisotropic parameters remain independent of the non-equilibrium conditions applied in this analysis. As a result, the relationships of the interfacial free energy/stiffness are determined to be linearly related to the thermal gradient, and can be interpolated to find material characteristics at additional temperature gradients.« less

The nucleotide-free state of heterotrimeric G proteins α-subunit adopts a highly stable conformation.

PubMed

Andhirka, Sai Krishna; Vignesh, Ravichandran; Aradhyam, Gopala Krishna

2017-08-01

Deciphering the mechanism of activation of heterotrimeric G proteins by their cognate receptors continues to be an intriguing area of research. The recently solved crystal structure of the ternary complex captured the receptor-bound α-subunit in an open conformation, without bound nucleotide has improved our understanding of the activation process. Despite these advancements, the mechanism by which the receptor causes GDP release from the α-subunit remains elusive. To elucidate the mechanism of activation, we studied guanine nucleotide-induced structural stability of the α-subunit (in response to thermal/chaotrope-mediated stress). Inherent stabilities of the inactive (GDP-bound) and active (GTP-bound) forms contribute antagonistically to the difference in conformational stability whereas the GDP-bound protein is able to switch to a stable intermediate state, GTP-bound protein loses this ability. Partial perturbation of the protein fold reveals the underlying influence of the bound nucleotide providing an insight into the mechanism of activation. An extra stable, pretransition intermediate, 'empty pocket' state (conformationally active-state like) in the unfolding pathway of GDP-bound protein mimics a gating system - the activation process having to overcome this stable intermediate state. We demonstrate that a relatively more complex conformational fold of the GDP-bound protein is at the core of the gating system. We report capturing this threshold, 'metastable empty pocket' conformation (the gate) of α-subunit of G protein and hypothesize that the receptor activates the G protein by enabling it to achieve this structure through mild structural perturbation. © 2017 Federation of European Biochemical Societies.

Accuracy of existing atomic potentials for the CdTe semiconductor compound

NASA Astrophysics Data System (ADS)

Ward, D. K.; Zhou, X. W.; Wong, B. M.; Doty, F. P.; Zimmerman, J. A.

2011-06-01

CdTe and CdTe-based Cd1-xZnxTe (CZT) alloys are important semiconductor compounds that are used in a variety of technologies including solar cells, radiation detectors, and medical imaging devices. Performance of such systems, however, is limited due to the propensity of nano- and micro-scale defects that form during crystal growth and manufacturing processes. Molecular dynamics simulations offer an effective approach to study the formation and interaction of atomic scale defects in these crystals, and provide insight on how to minimize their concentrations. The success of such a modeling effort relies on the accuracy and transferability of the underlying interatomic potential used in simulations. Such a potential must not only predict a correct trend of structures and energies of a variety of elemental and compound lattices, defects, and surfaces but also capture correct melting behavior and should be capable of simulating crystalline growth during vapor deposition as these processes sample a variety of local configurations. In this paper, we perform a detailed evaluation of the performance of two literature potentials for CdTe, one having the Stillinger-Weber form and the other possessing the Tersoff form. We examine simulations of structures and the corresponding energies of a variety of elemental and compound lattices, defects, and surfaces compared to those obtained from ab initio calculations and experiments. We also perform melting temperature calculations and vapor deposition simulations. Our calculations show that the Stillinger-Weber parameterization produces the correct lowest energy structure. This potential, however, is not sufficiently transferrable for defect studies. Origins of the problems of these potentials are discussed and insights leading to the development of a more transferrable potential suitable for molecular dynamics simulations of defects in CdTe crystals are provided.

Depletion and capture: revisiting “The source of water derived from wells"

USGS Publications Warehouse

Konikow, Leonard F.; Leake, Stanley A.

2014-01-01

A natural consequence of groundwater withdrawals is the removal of water from subsurface storage, but the overall rates and magnitude of groundwater depletion and capture relative to groundwater withdrawals (extraction or pumpage) have not previously been well characterized. This study assesses the partitioning of long-term cumulative withdrawal volumes into fractions derived from storage depletion and capture, where capture includes both increases in recharge and decreases in discharge. Numerical simulation of a hypothetical groundwater basin is used to further illustrate some of Theis' (1940) principles, particularly when capture is constrained by insufficient available water. Most prior studies of depletion and capture have assumed that capture is unconstrained through boundary conditions that yield linear responses. Examination of real systems indicates that capture and depletion fractions are highly variable in time and space. For a large sample of long-developed groundwater systems, the depletion fraction averages about 0.15 and the capture fraction averages about 0.85 based on cumulative volumes. Higher depletion fractions tend to occur in more arid regions, but the variation is high and the correlation coefficient between average annual precipitation and depletion fraction for individual systems is only 0.40. Because 85% of long-term pumpage is derived from capture in these real systems, capture must be recognized as a critical factor in assessing water budgets, groundwater storage depletion, and sustainability of groundwater development. Most capture translates into streamflow depletion, so it can detrimentally impact ecosystems.

Dynamically controlled crystal growth system

NASA Technical Reports Server (NTRS)

Bray, Terry L. (Inventor); Kim, Larry J. (Inventor); Harrington, Michael (Inventor); DeLucas, Lawrence J. (Inventor)

2002-01-01

Crystal growth can be initiated and controlled by dynamically controlled vapor diffusion or temperature change. In one aspect, the present invention uses a precisely controlled vapor diffusion approach to monitor and control protein crystal growth. The system utilizes a humidity sensor and various interfaces under computer control to effect virtually any evaporation rate from a number of different growth solutions simultaneously by means of an evaporative gas flow. A static laser light scattering sensor can be used to detect aggregation events and trigger a change in the evaporation rate for a growth solution. A control/follower configuration can be used to actively monitor one chamber and accurately control replicate chambers relative to the control chamber. In a second aspect, the invention exploits the varying solubility of proteins versus temperature to control the growth of protein crystals. This system contains miniature thermoelectric devices under microcomputer control that change temperature as needed to grow crystals of a given protein. Complex temperature ramps are possible using this approach. A static laser light scattering probe also can be used in this system as a non-invasive probe for detection of aggregation events. The automated dynamic control system provides systematic and predictable responses with regard to crystal size. These systems can be used for microgravity crystallization projects, for example in a space shuttle, and for crystallization work under terrestial conditions. The present invention is particularly useful for macromolecular crystallization, e.g. for proteins, polypeptides, nucleic acids, viruses and virus particles.

[Effect of K2O addition on the crystallization property of dental glass-ceramics].

PubMed

Liu, Xiao-Qiu; Song, Wen-Zhi; Sun, Hong-Chen; Yang, Hai-Bin; Zou, Guang-Tian; Wang, Jing-Yun; Ye, Chang-Li

2006-10-01

To evaluate the effect of K2O addition on the crystallization property of dental glass-ceramics in the Li2O-SiO2-Al2O3-P2O5-ZnO system. Different content of K2O was added into Li2O-SiO2-Al2O3-P2O5-ZnO glass system. The heat-treated system of the glass-ceramics was determined by differential thermal analyses (DTA), then the crystallization components and the microstmcture of the glass-ceramics with different content of K2O were investigated from X-ray diffraction (XRD) analyses and scanning electron microscopy (SEM). Addition of K2O helped to reduce the viscosity of the glass system and improved crystallization. More lithium disilicate crystals appeared after heated-treatment of the glass system which contained 5.3 wt% addition of K2O, and the homogeneously lath-shaped crystals were 4 gm in length. Certain content of K2O can improve the crystallization property of dental glass-ceramics in the Li2O-SiO2-Al2O3-P2O5-ZnO system.

40 CFR 63.4165 - How do I determine the emission capture system efficiency?

Code of Federal Regulations, 2010 CFR

2010-07-01

... system; coating solvent flash-off and coating, curing, and drying occurs within the capture system and... when being moved between a spray booth and a curing oven. (b) If the capture system does not meet both... surface preparation activities and drying or curing time. (c) Liquid-to-uncaptured-gas protocol using a...

40 CFR 63.3546 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2013 CFR

2013-07-01

... system and add-on control device operating limits during the performance test? 63.3546 Section 63.3546... of key parameters of the valve operating system (e.g., solenoid valve operation, air pressure... minimum operating limit for that specific capture device or system of multiple capture devices. The...

40 CFR 63.4966 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2014 CFR

2014-07-01

... capture system and add-on control device operating limits during the performance test? 63.4966 Section 63... system and add-on control device operating limits during the performance test? During the performance... outlet gas temperature is the maximum operating limit for your condenser. (e) Emission capture system...

40 CFR 63.4966 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2012 CFR

2012-07-01

... capture system and add-on control device operating limits during the performance test? 63.4966 Section 63... system and add-on control device operating limits during the performance test? During the performance... outlet gas temperature is the maximum operating limit for your condenser. (e) Emission capture system...

DHS Internship Summary-Crystal Assembly at Different Length Scales

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

Mishchenko, L

2009-08-06

I was part of a project in which in situ atomic force microscopy (AFM) was used to monitor growth and dissolution of atomic and colloidal crystals. At both length scales, the chemical environment of the system greatly altered crystal growth and dissolution. Calcium phosphate was used as a model system for atomic crystals. A dissolution-reprecipitation reaction was observed in this first system, involving the conversion of brushite (DCPD) to octacalcium phosphate (OCP). In the second system, polymeric colloidal crystals were dissolved in an ionic solvent, revealing the underlying structure of the crystal. The dissolved crystal was then regrown through anmore » evaporative step method. Recently, we have also found that colloids can be reversibly deposited in situ onto an ITO (indium tin oxide) substrate via an electrochemistry setup. The overall goal of this project was to develop an understanding of the mechanisms that control crystallization and order, so that these might be controlled during material synthesis. Controlled assembly of materials over a range of length scales from molecules to nanoparticles to colloids is critical for designing new materials. In particular, developing materials for sensor applications with tailorable properties and long range order is important. In this work, we examine two of these length scales: small molecule crystallization of calcium phosphate (whose crystal phases include DCPD, OCP, and HAP) and colloidal crystallization of Poly(methyl methacrylate) beads. Atomic Force Microscopy is ideal for this line of work because it allows for the possibility of observing non-conducting samples in fluid during growth with high resolution ({approx} 10 nm). In fact, during atomic crystal growth one can observe changes in atomic steps, and with colloidal crystals, one can monitor the individual building blocks of the crystal. Colloids and atoms crystallize under the influence of different forces acting at different length scales as seen in Table 1. In particular, molecular crystals, which are typically dominated by ionic and covalent bonding, are an order of magnitude more strongly bonded than colloidal crystals. In molecular crystals, ordering is driven by the interaction potentials between molecules. By contrast, colloidal assembly is a competition between the repulsive electrostatic forces that prevent aggregation in solution (due to surface charge), and short-range van der Waals and entropic forces that leads to ordering. Understanding atomic crystallization is fundamentally important for fabrication of tailorable crystalline materials, for example for biological or chemical sensors. The transformation of brushite to OCP not only serves as a model system for atomic crystal growth (applicable to many other crystal growth processes), but is also important in bone cements. Colloidal crystals have unique optical properties which respond to chemical and mechanical stimuli, making them very important for sensing applications. The mechanism of colloidal crystal assembly is thus fundamentally important. Our in situ dissolution and regrowth experiments are one good method of analyzing how these crystals pack under different conditions and how defect sites are formed and filled. In these experiments, a silica additive was used to strengthen the colloidal crystal during initial assembly (ex situ) and to increase domain size and long range order. Reversible electrodeposition of colloids onto a conductive substrate (ITO in our case) is another system which can further our knowledge of colloidal assembly. This experiment holds promise of allowing in situ observation of colloidal crystal growth and the influence of certain additives on crystal order. The ultimate goal would be to achieve long range order in these crystals by changing the surface charge or the growth environment.« less

Management of radioactive waste gases from PET radiopharmaceutical synthesis using cost effective capture systems integrated with a cyclotron safety system.

PubMed

Stimson, D H R; Pringle, A J; Maillet, D; King, A R; Nevin, S T; Venkatachalam, T K; Reutens, D C; Bhalla, R

2016-09-01

The emphasis on the reduction of gaseous radioactive effluent associated with PET radiochemistry laboratories has increased. Various radioactive gas capture strategies have been employed historically including expensive automated compression systems. We have implemented a new cost-effective strategy employing gas capture bags with electronic feedback that are integrated with the cyclotron safety system. Our strategy is suitable for multiple automated 18 F radiosynthesis modules and individual automated 11 C radiosynthesis modules. We describe novel gas capture systems that minimize the risk of human error and are routinely used in our facility.

Carbon dioxide capture from atmospheric air using sodium hydroxide spray.

PubMed

Stolaroff, Joshuah K; Keith, David W; Lowry, Gregory V

2008-04-15

In contrast to conventional carbon capture systems for power plants and other large point sources, the system described in this paper captures CO2 directly from ambient air. This has the advantages that emissions from diffuse sources and past emissions may be captured. The objective of this research is to determine the feasibility of a NaOH spray-based contactor for use in an air capture system by estimating the cost and energy requirements per unit CO2 captured. A prototype system is constructed and tested to measure CO2 absorption, energy use, and evaporative water loss and compared with theoretical predictions. A numerical model of drop collision and coalescence is used to estimate operating parameters for a full-scale system, and the cost of operating the system per unit CO2 captured is estimated. The analysis indicates that CO2 capture from air for climate change mitigation is technically feasible using off-the-shelf technology. Drop coalescence significantly decreases the CO2 absorption efficiency; however, fan and pump energy requirements are manageable. Water loss is significant (20 mol H2O/mol CO2 at 15 degrees C and 65% RH) but can be lowered by appropriately designing and operating the system. The cost of CO2 capture using NaOH spray (excluding solution recovery and CO2 sequestration, which may be comparable) in the full-scale system is 96 $/ton-CO2 in the base case, and ranges from 53 to 127 $/ton-CO2 under alternate operating parameters and assumptions regarding capital costs and mass transfer rate. The low end of the cost range is reached by a spray with 50 microm mean drop diameter, which is achievable with commercially available spray nozzles.

Liquid Crystal Mediated Nano-assembled Gold Micro-shells

NASA Astrophysics Data System (ADS)

Quint, Makiko; Sarang, Som; Quint, David; Huang, Kerwyn; Gopinathan, Ajay; Hirst, Linda; Ghosh, Sayantani

We have created 3D nano-assenbled micro-shell by using thermotropic liquid crystal (LC), 4-Cyano-4'-pentylbiphenyl (5CB), doped with mesogen-functionalized gold nanoparticles (AuNPs). The assembly process is driven by the isotropic-nematic phase transition dynamics. We uniformly disperse the functionalized AuNPs into isotropic liquid crystal matrix and the mixture is cooled from the isotropic to the nematic phase. During the phase transition, the separation of LC-AuNP rich isotropic and ordered 5CB rich domains cause the functionalized AuNPs to move into the shrinking isotropic regions. The mesogenic ligands are locally crystalized during this process, which leads to the formation of a spherical shell with a densely packed wall of AuNPs. These micro-shells are capable of encapsulating fluorescence dye without visible leakages for several months. Additionally, they demonstrate strong localized surface plasmon resonance, which leads to localized heating on optical excitation. This photothermal effect disrupts the structure, releasing contents within seconds. Our results exhibiting the capture and optically regulated release of encapsulated substances is a novel platform that combines drug-delivery and photothermal therapy in one versatile and multifunctional unit. This work is supported by the NSF Grants No. DMR-1056860, ECC-1227034, and a University of California Merced Faculty Mentor Fellowship.

Crystal structure of a new variety of lead dodecaborate Pb{sub 6}(Li{sub 0.65}Na{sub 0.19})[B{sub 12}O{sub 24}]I{sub 0.84} {center_dot} 0.168H{sub 2}O and its comparison with beryl and cordierite

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

Belokoneva, E. L., E-mail: elbel@geol.msu.ru; Derkach, I. K.; Dimitrova, O. V.

2013-05-15

Crystals of a new representative of ring-radical dodecaborates Pb{sub 6}(Li{sub 0.65}Na{sub 0.19})[B{sub 12}O{sub 24}]I{sub 0.84} {center_dot} 0.168H{sub 2}O, space group R3bar m , are obtained under hydrothermal conditions. The structure is determined with-out preliminary knowledge of the chemical formula. It is close to that of the Pb{sub 6}[B{sub 12}O{sub 24}] {center_dot} H{sub 2}O dodecaborate studied earlier, but unlike the latter structure it contains admixtures of iodide anion, lithium cation, and water molecule, which incompletely populate positions in channels. The formation of the second variety, which brings to light ion-exchange properties of the crystals, is due to mineralizing ions available inmore » the concen-trated solution in the course of crystallization. The new compound is compared with beryl and cordierite, which have close structures with channels capable of capturing various groups. Structures of synthetic Na and Ag dodecaborates with analogous but distorted ring dodecaborate radicals are discussed.« less

Indexing amyloid peptide diffraction from serial femtosecond crystallography: new algorithms for sparse patterns

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

Brewster, Aaron S.; Sawaya, Michael R.; University of California, Los Angeles, CA 90095-1570

2015-02-01

Special methods are required to interpret sparse diffraction patterns collected from peptide crystals at X-ray free-electron lasers. Bragg spots can be indexed from composite-image powder rings, with crystal orientations then deduced from a very limited number of spot positions. Still diffraction patterns from peptide nanocrystals with small unit cells are challenging to index using conventional methods owing to the limited number of spots and the lack of crystal orientation information for individual images. New indexing algorithms have been developed as part of the Computational Crystallography Toolbox (cctbx) to overcome these challenges. Accurate unit-cell information derived from an aggregate data setmore » from thousands of diffraction patterns can be used to determine a crystal orientation matrix for individual images with as few as five reflections. These algorithms are potentially applicable not only to amyloid peptides but also to any set of diffraction patterns with sparse properties, such as low-resolution virus structures or high-throughput screening of still images captured by raster-scanning at synchrotron sources. As a proof of concept for this technique, successful integration of X-ray free-electron laser (XFEL) data to 2.5 Å resolution for the amyloid segment GNNQQNY from the Sup35 yeast prion is presented.« less

A seven-crystal Johann-type hard x-ray spectrometer at the Stanford Synchrotron Radiation Lightsource

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

Sokaras, D.; Weng, T.-C.; Nordlund, D.

2013-05-15

We present a multicrystal Johann-type hard x-ray spectrometer ({approx}5-18 keV) recently developed, installed, and operated at the Stanford Synchrotron Radiation Lightsource. The instrument is set at the wiggler beamline 6-2 equipped with two liquid nitrogen cooled monochromators - Si(111) and Si(311) - as well as collimating and focusing optics. The spectrometer consists of seven spherically bent crystal analyzers placed on intersecting vertical Rowland circles of 1 m of diameter. The spectrometer is scanned vertically capturing an extended backscattering Bragg angular range (88 Degree-Sign -74 Degree-Sign ) while maintaining all crystals on the Rowland circle trace. The instrument operates in atmosphericmore » pressure by means of a helium bag and when all the seven crystals are used (100 mm of projected diameter each), has a solid angle of about 0.45% of 4{pi} sr. The typical resolving power is in the order of (E/{Delta}E){approx}10 000. The spectrometer's high detection efficiency combined with the beamline 6-2 characteristics permits routine studies of x-ray emission, high energy resolution fluorescence detected x-ray absorption and resonant inelastic x-ray scattering of very diluted samples as well as implementation of demanding in situ environments.« less

Two conformational states of the membrane-associated Bacillus thuringiensis Cry4Ba {delta}-endotoxin complex revealed by electron crystallography: Implications for toxin-pore formation

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

Ounjai, Puey; Laboratory of Molecular Biophysics and Structural Biochemistry, Institute of Molecular Biology and Genetics, Mahidol University, Salaya Campus, Nakornpathom 73170; Unger, Vinzenz M.

The insecticidal nature of Cry {delta}-endotoxins produced by Bacillus thuringiensis is generally believed to be caused by their ability to form lytic pores in the midgut cell membrane of susceptible insect larvae. Here we have analyzed membrane-associated structures of the 65-kDa dipteran-active Cry4Ba toxin by electron crystallography. The membrane-associated toxin complex was crystallized in the presence of DMPC via detergent dialysis. Depending upon the charge of the adsorbed surface, 2D crystals of the oligomeric toxin complex have been captured in two distinct conformations. The projection maps of those crystals have been generated at 17 A resolution. Both complexes appeared tomore » be trimeric; as in one crystal form, its projection structure revealed a symmetrical pinwheel-like shape with virtually no depression in the middle of the complex. The other form revealed a propeller-like conformation displaying an obvious hole in the center region, presumably representing the toxin-induced pore. These crystallographic data thus demonstrate for the first time that the 65-kDa activated Cry4Ba toxin in association with lipid membranes could exist in at least two different trimeric conformations, conceivably implying the closed and open states of the pore.« less

System and process for capture of acid gasses at elevated pressure from gaseous process streams

DOEpatents

Heldebrant, David J.; Koech, Phillip K.; Linehan, John C.; Rainbolt, James E.; Bearden, Mark D.; Zheng, Feng

2016-09-06

A system, method, and material that enables the pressure-activated reversible chemical capture of acid gasses such as CO.sub.2 from gas volumes such as streams, flows or any other volume. Once the acid gas is chemically captured, the resulting product typically a zwitterionic salt, can be subjected to a reduced pressure whereupon the resulting product will release the captures acid gas and the capture material will be regenerated. The invention includes this process as well as the materials and systems for carrying out and enabling this process.

Stability of a slotted ALOHA system with capture effect

NASA Astrophysics Data System (ADS)

Onozato, Yoshikuni; Liu, Jin; Noguchi, Shoichi

1989-02-01

The stability of a slotted ALOHA system with capture effect is investigated under a general communication environment where terminals are divided into two groups (low-power and high-power) and the capture effect is modeled by capture probabilities. An approximate analysis is developed using catastrophe theory, in which the effects of system and user parameters on the stability are characterized by the cusp catastrophe. Particular attention is given to the low-power group, since it must bear the strain under the capture effect. The stability conditions of the two groups are given explicitly by bifurcation sets.

Quantum Liquid Crystal Phases in Strongly Correlated Fermionic Systems

ERIC Educational Resources Information Center

Sun, Kai

2009-01-01

This thesis is devoted to the investigation of the quantum liquid crystal phases in strongly correlated electronic systems. Such phases are characterized by their partially broken spatial symmetries and are observed in various strongly correlated systems as being summarized in Chapter 1. Although quantum liquid crystal phases often involve…

Quantum melting of a two-dimensional Wigner crystal

NASA Astrophysics Data System (ADS)

Dolgopolov, V. T.

2017-10-01

The paper reviews theoretical predictions about the behavior of two-dimensional low-density electron systems at nearly absolute zero temperatures, including the formation of an electron (Wigner) crystal, crystal melting at a critical electron density, and transitions between crystal modifications in more complex (for example, two-layer) systems. The paper presents experimental results obtained from real two-dimensional systems in which the nonconducting (solid) state of the electronic system with indications of collective localization is actually realized. Experimental methods for detecting a quantum liquid-solid phase interface are discussed.

Development and evaluation of a LOR-based image reconstruction with 3D system response modeling for a PET insert with dual-layer offset crystal design.

PubMed

Zhang, Xuezhu; Stortz, Greg; Sossi, Vesna; Thompson, Christopher J; Retière, Fabrice; Kozlowski, Piotr; Thiessen, Jonathan D; Goertzen, Andrew L

2013-12-07

In this study we present a method of 3D system response calculation for analytical computer simulation and statistical image reconstruction for a magnetic resonance imaging (MRI) compatible positron emission tomography (PET) insert system that uses a dual-layer offset (DLO) crystal design. The general analytical system response functions (SRFs) for detector geometric and inter-crystal penetration of coincident crystal pairs are derived first. We implemented a 3D ray-tracing algorithm with 4π sampling for calculating the SRFs of coincident pairs of individual DLO crystals. The determination of which detector blocks are intersected by a gamma ray is made by calculating the intersection of the ray with virtual cylinders with radii just inside the inner surface and just outside the outer-edge of each crystal layer of the detector ring. For efficient ray-tracing computation, the detector block and ray to be traced are then rotated so that the crystals are aligned along the X-axis, facilitating calculation of ray/crystal boundary intersection points. This algorithm can be applied to any system geometry using either single-layer (SL) or multi-layer array design with or without offset crystals. For effective data organization, a direct lines of response (LOR)-based indexed histogram-mode method is also presented in this work. SRF calculation is performed on-the-fly in both forward and back projection procedures during each iteration of image reconstruction, with acceleration through use of eight-fold geometric symmetry and multi-threaded parallel computation. To validate the proposed methods, we performed a series of analytical and Monte Carlo computer simulations for different system geometry and detector designs. The full-width-at-half-maximum of the numerical SRFs in both radial and tangential directions are calculated and compared for various system designs. By inspecting the sinograms obtained for different detector geometries, it can be seen that the DLO crystal design can provide better sampling density than SL or dual-layer no-offset system designs with the same total crystal length. The results of the image reconstruction with SRFs modeling for phantom studies exhibit promising image recovery capability for crystal widths of 1.27-1.43 mm and top/bottom layer lengths of 4/6 mm. In conclusion, we have developed efficient algorithms for system response modeling of our proposed PET insert with DLO crystal arrays. This provides an effective method for both 3D computer simulation and quantitative image reconstruction, and will aid in the optimization of our PET insert system with various crystal designs.

Application of the Statistical ICA Technique in the DANCE Data Analysis

NASA Astrophysics Data System (ADS)

Baramsai, Bayarbadrakh; Jandel, M.; Bredeweg, T. A.; Rusev, G.; Walker, C. L.; Couture, A.; Mosby, S.; Ullmann, J. L.; Dance Collaboration

2015-10-01

The Detector for Advanced Neutron Capture Experiments (DANCE) at the Los Alamos Neutron Science Center is used to improve our understanding of the neutron capture reaction. DANCE is a highly efficient 4 π γ-ray detector array consisting of 160 BaF2 crystals which make it an ideal tool for neutron capture experiments. The (n, γ) reaction Q-value equals to the sum energy of all γ-rays emitted in the de-excitation cascades from the excited capture state to the ground state. The total γ-ray energy is used to identify reactions on different isotopes as well as the background. However, it's challenging to identify contribution in the Esum spectra from different isotopes with the similar Q-values. Recently we have tested the applicability of modern statistical methods such as Independent Component Analysis (ICA) to identify and separate different (n, γ) reaction yields on different isotopes that are present in the target material. ICA is a recently developed computational tool for separating multidimensional data into statistically independent additive subcomponents. In this conference talk, we present some results of the application of ICA algorithms and its modification for the DANCE experimental data analysis. This research is supported by the U. S. Department of Energy, Office of Science, Nuclear Physics under the Early Career Award No. LANL20135009.

Preparative crystallization of a single chain antibody using an aqueous two-phase system.

PubMed

Huettmann, Hauke; Berkemeyer, Matthias; Buchinger, Wolfgang; Jungbauer, Alois

2014-11-01

A simultaneous crystallization and aqueous two-phase extraction of a single chain antibody was developed, demonstrating process integration. The process conditions were designed to form an aqueous two-phase system, and to favor crystallization, using sodium sulfate and PEG-2000. At sufficiently high concentrations of PEG, a second phase was generated in which the protein crystallization occurred simultaneously. The single chain antibody crystals were partitioned to the top, polyethylene glycol-rich phase. The crystal nucleation took place in the sodium sulfate-rich phase and at the phase boundary, whereas crystal growth was progressing mainly in the polyethylene glycol-rich phase. The crystals in the polyethylene glycol-rich phase grew to a size of >50 µm. Additionally, polyethylene glycol acted as an anti-solvent, thus, it influenced the crystallization yield. A phase diagram with an undersaturation zone, crystallization area, and amorphous precipitation zone was established. Only small differences in polyethylene glycol concentration caused significant shifts of the crystallization yield. An increase of the polyethylene glycol content from 2% (w/v) to 4% (w/v) increased the yield from approximately 63-87%, respectively. Our results show that crystallization in aqueous two-phase systems is an opportunity to foster process integration. © 2014 Wiley Periodicals, Inc.

Study on launch scheme of space-net capturing system.

PubMed

Gao, Qingyu; Zhang, Qingbin; Feng, Zhiwei; Tang, Qiangang

2017-01-01

With the continuous progress in active debris-removal technology, scientists are increasingly concerned about the concept of space-net capturing system. The space-net capturing system is a long-range-launch flexible capture system, which has great potential to capture non-cooperative targets such as inactive satellites and upper stages. In this work, the launch scheme is studied by experiment and simulation, including two-step ejection and multi-point-traction analyses. The numerical model of the tether/net is based on finite element method and is verified by full-scale ground experiment. The results of the ground experiment and numerical simulation show that the two-step ejection and six-point traction scheme of the space-net system is superior to the traditional one-step ejection and four-point traction launch scheme.

Study on launch scheme of space-net capturing system

PubMed Central

Zhang, Qingbin; Feng, Zhiwei; Tang, Qiangang

2017-01-01

With the continuous progress in active debris-removal technology, scientists are increasingly concerned about the concept of space-net capturing system. The space-net capturing system is a long-range-launch flexible capture system, which has great potential to capture non-cooperative targets such as inactive satellites and upper stages. In this work, the launch scheme is studied by experiment and simulation, including two-step ejection and multi-point-traction analyses. The numerical model of the tether/net is based on finite element method and is verified by full-scale ground experiment. The results of the ground experiment and numerical simulation show that the two-step ejection and six-point traction scheme of the space-net system is superior to the traditional one-step ejection and four-point traction launch scheme. PMID:28877187

Review: Serial Femtosecond Crystallography: A Revolution in Structural Biology

PubMed Central

Martin-Garcia, Jose M.; Conrad, Chelsie E.; Coe, Jesse; Roy-Chowdhury, Shatabdi; Fromme, Petra

2016-01-01

Macromolecular crystallography at synchrotron sources has proven to be the most influential method within structural biology, producing thousands of structures since its inception. While its utility has been instrumental in progressing our knowledge of structures of molecules, it suffers from limitations such as the need for large, well-diffracting crystals, and radiation damage that can hamper native structural determination. The recent advent of X-ray free electron lasers (XFELs) and their implementation in the emerging field of serial femtosecond crystallography (SFX) has given rise to a remarkable expansion upon existing crystallographic constraints, allowing structural biologists access to previously restricted scientific territory. SFX relies on exceptionally brilliant, micro-focused X-ray pulses, which are femtoseconds in duration, to probe nano/micrometer sized crystals in a serial fashion. This results in data sets comprised of individual snapshots, each capturing Bragg diffraction of single crystals in random orientations prior to their subsequent destruction. Thus structural elucidation while avoiding radiation damage, even at room temperature, can now be achieved. This emerging field has cultivated new methods for nanocrystallogenesis, sample delivery, and data processing. Opportunities and challenges within SFX are reviewed herein. PMID:27143509

Serial femtosecond crystallography: A revolution in structural biology.

PubMed

Martin-Garcia, Jose M; Conrad, Chelsie E; Coe, Jesse; Roy-Chowdhury, Shatabdi; Fromme, Petra

2016-07-15

Macromolecular crystallography at synchrotron sources has proven to be the most influential method within structural biology, producing thousands of structures since its inception. While its utility has been instrumental in progressing our knowledge of structures of molecules, it suffers from limitations such as the need for large, well-diffracting crystals, and radiation damage that can hamper native structural determination. The recent advent of X-ray free electron lasers (XFELs) and their implementation in the emerging field of serial femtosecond crystallography (SFX) has given rise to a remarkable expansion upon existing crystallographic constraints, allowing structural biologists access to previously restricted scientific territory. SFX relies on exceptionally brilliant, micro-focused X-ray pulses, which are femtoseconds in duration, to probe nano/micrometer sized crystals in a serial fashion. This results in data sets comprised of individual snapshots, each capturing Bragg diffraction of single crystals in random orientations prior to their subsequent destruction. Thus structural elucidation while avoiding radiation damage, even at room temperature, can now be achieved. This emerging field has cultivated new methods for nanocrystallogenesis, sample delivery, and data processing. Opportunities and challenges within SFX are reviewed herein. Published by Elsevier Inc.

On the use of SEM correlative tools for in situ mechanical tests.

PubMed

Shi, Qiwei; Roux, Stéphane; Latourte, Félix; Hild, François; Loisnard, Dominique; Brynaert, Nicolas

2018-01-01

In situ SEM mechanical tests are key to study crystal plasticity. In particular, imaging and diffraction (EBSD) allow microstructure and surface kinematics to be monitored all along the test. However, to get a full benefit from different modalities, it is necessary to register all images and crystallographic orientation maps from EBSD into the same frame. Different correlative approaches tracking either Pt surface markings, crystal orientations or grain boundaries, allow such registrations to be performed and displacement as well as rotation fields to be measured, a primary information for crystal plasticity identification. However, the different contrasts that are captured in different modalities and unavoidable stage motions also give rise to artifacts that are to be corrected to register the different information onto the same material points. The same image correlation tools reveal very powerful to correct such artifacts. Illustrated by an in situ uniaxial tensile test performed on a bainitic-ferritic steel sample, recent advances in image correlation techniques are reviewed and shown to provide a comprehensive picture of local strain and rotation maps. Copyright © 2017 Elsevier B.V. All rights reserved.

X-ray free electron laser: opportunities for drug discovery.

PubMed

Cheng, Robert K Y; Abela, Rafael; Hennig, Michael

2017-11-08

Past decades have shown the impact of structural information derived from complexes of drug candidates with their protein targets to facilitate the discovery of safe and effective medicines. Despite recent developments in single particle cryo-electron microscopy, X-ray crystallography has been the main method to derive structural information. The unique properties of X-ray free electron laser (XFEL) with unmet peak brilliance and beam focus allow X-ray diffraction data recording and successful structure determination from smaller and weaker diffracting crystals shortening timelines in crystal optimization. To further capitalize on the XFEL advantage, innovations in crystal sample delivery for the X-ray experiment, data collection and processing methods are required. This development was a key contributor to serial crystallography allowing structure determination at room temperature yielding physiologically more relevant structures. Adding the time resolution provided by the femtosecond X-ray pulse will enable monitoring and capturing of dynamic processes of ligand binding and associated conformational changes with great impact to the design of candidate drug compounds. © 2017 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.

Simulating Thermal Cycling and Isothermal Deformation Response of Polycrystalline NiTi

NASA Technical Reports Server (NTRS)

Manchiraju, Sivom; Gaydosh, Darrell J.; Noebe, Ronald D.; Anderson, Peter M.

2011-01-01

A microstructure-based FEM model that couples crystal plasticity, crystallographic descriptions of the B2-B19' martensitic phase transformation, and anisotropic elasticity is used to simulate thermal cycling and isothermal deformation in polycrystalline NiTi (49.9at% Ni). The model inputs include anisotropic elastic properties, polycrystalline texture, DSC data, and a subset of isothermal deformation and load-biased thermal cycling data. A key experimental trend is captured.namely, the transformation strain during thermal cycling is predicted to reach a peak with increasing bias stress, due to the onset of plasticity at larger bias stress. Plasticity induces internal stress that affects both thermal cycling and isothermal deformation responses. Affected thermal cycling features include hysteretic width, two-way shape memory effect, and evolution of texture with increasing bias stress. Affected isothermal deformation features include increased hardening during loading and retained martensite after unloading. These trends are not captured by microstructural models that lack plasticity, nor are they all captured in a robust manner by phenomenological approaches. Despite this advance in microstructural modeling, quantitative differences exist, such as underprediction of open loop strain during thermal cycling.

Design of integrated eye tracker-display device for head mounted systems

NASA Astrophysics Data System (ADS)

David, Y.; Apter, B.; Thirer, N.; Baal-Zedaka, I.; Efron, U.

2009-08-01

We propose an Eye Tracker/Display system, based on a novel, dual function device termed ETD, which allows sharing the optical paths of the Eye tracker and the display and on-chip processing. The proposed ETD design is based on a CMOS chip combining a Liquid-Crystal-on-Silicon (LCoS) micro-display technology with near infrared (NIR) Active Pixel Sensor imager. The ET operation allows capturing the Near IR (NIR) light, back-reflected from the eye's retina. The retinal image is then used for the detection of the current direction of eye's gaze. The design of the eye tracking imager is based on the "deep p-well" pixel technology, providing low crosstalk while shielding the active pixel circuitry, which serves the imaging and the display drivers, from the photo charges generated in the substrate. The use of the ETD in the HMD Design enables a very compact design suitable for Smart Goggle applications. A preliminary optical, electronic and digital design of the goggle and its associated ETD chip and digital control, are presented.

Energy harvesting: an integrated view of materials, devices and applications.

PubMed

Radousky, H B; Liang, H

2012-12-21

Energy harvesting refers to the set of processes by which useful energy is captured from waste, environmental, or mechanical sources and is converted into a usable form. The discipline of energy harvesting is a broad topic that includes established methods and materials such as photovoltaics and thermoelectrics, as well as more recent technologies that convert mechanical energy, magnetic energy and waste heat to electricity. This article will review various state-of-the-art materials and devices for direct energy conversion and in particular will include multistep energy conversion approaches. The article will highlight the nano-materials science underlying energy harvesting principles and devices, but also include more traditional bulk processes and devices as appropriate and synergistic. Emphasis is placed on device-design innovations that lead to higher efficiency energy harvesting or conversion technologies ranging from the cm/mm-scale down to MEMS/NEMS (micro- and nano-electromechanical systems) devices. Theoretical studies are reviewed, which address transport properties, crystal chemistry, thermodynamic analysis, energy transfer, system efficiency and device operation. New developments in experimental methods; device design and fabrication; nanostructured materials fabrication; materials properties; and device performance measurement techniques are discussed.

Energy harvesting: an integrated view of materials, devices and applications

NASA Astrophysics Data System (ADS)

Radousky, H. B.; Liang, H.

2012-12-01

Energy harvesting refers to the set of processes by which useful energy is captured from waste, environmental, or mechanical sources and is converted into a usable form. The discipline of energy harvesting is a broad topic that includes established methods and materials such as photovoltaics and thermoelectrics, as well as more recent technologies that convert mechanical energy, magnetic energy and waste heat to electricity. This article will review various state-of-the-art materials and devices for direct energy conversion and in particular will include multistep energy conversion approaches. The article will highlight the nano-materials science underlying energy harvesting principles and devices, but also include more traditional bulk processes and devices as appropriate and synergistic. Emphasis is placed on device-design innovations that lead to higher efficiency energy harvesting or conversion technologies ranging from the cm/mm-scale down to MEMS/NEMS (micro- and nano-electromechanical systems) devices. Theoretical studies are reviewed, which address transport properties, crystal chemistry, thermodynamic analysis, energy transfer, system efficiency and device operation. New developments in experimental methods; device design and fabrication; nanostructured materials fabrication; materials properties; and device performance measurement techniques are discussed.

The plug-based nanovolume Microcapillary Protein Crystallization System (MPCS)

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

Gerdts, Cory J.; Elliott, Mark; Lovell, Scott

2012-02-08

The Microcapillary Protein Crystallization System (MPCS) embodies a new semi-automated plug-based crystallization technology which enables nanolitre-volume screening of crystallization conditions in a plasticware format that allows crystals to be easily removed for traditional cryoprotection and X-ray diffraction data collection. Protein crystals grown in these plastic devices can be directly subjected to in situ X-ray diffraction studies. The MPCS integrates the formulation of crystallization cocktails with the preparation of the crystallization experiments. Within microfluidic Teflon tubing or the microfluidic circuitry of a plastic CrystalCard, {approx}10-20 nl volume droplets are generated, each representing a microbatch-style crystallization experiment with a different chemical composition.more » The entire protein sample is utilized in crystallization experiments. Sparse-matrix screening and chemical gradient screening can be combined in one comprehensive 'hybrid' crystallization trial. The technology lends itself well to optimization by high-granularity gradient screening using optimization reagents such as precipitation agents, ligands or cryoprotectants.« less

Space Art "Stardust"

NASA Image and Video Library

2008-01-08

Artist Paul Henry Ramirez captured symbolically the Stardust mission in this peice titled "Stardust". The Stardust mission in January of 2006 completed a seven-year, 2.8 billion mile journey to fly by a comet and return samples to Earth. The material is a first sample of pristine cometary material which will increase human understanding of interstellar dust. Stardust, 2007. Acrylic Micaceous Iron Oxide, Aluminum and crystal, hologram glitter Mylar 20" round canvas. Copyrighted: For more information contact Curator, NASA Art Program.

Guidelines for the successful generation of protein–ligand complex crystals

PubMed Central

Müller, Ilka

2017-01-01

With continuous technical improvements at synchrotron facilities, data-collection rates have increased dramatically. This makes it possible to collect diffraction data for hundreds of protein–ligand complexes within a day, provided that a suitable crystal system is at hand. However, developing a suitable crystal system can prove challenging, exceeding the timescale of data collection by several orders of magnitude. Firstly, a useful crystallization construct of the protein of interest needs to be chosen and its expression and purification optimized, before screening for suitable crystallization and soaking conditions can start. This article reviews recent publications analysing large data sets of crystallization trials, with the aim of identifying factors that do or do not make a good crystallization construct, and gives guidance in the design of an expression construct. It provides an overview of common protein-expression systems, addresses how ligand binding can be both help and hindrance for protein purification, and describes ligand co-crystallization and soaking, with an emphasis on troubleshooting. PMID:28177304

Depletion and capture: revisiting "the source of water derived from wells".

PubMed

Konikow, L F; Leake, S A

2014-09-01

A natural consequence of groundwater withdrawals is the removal of water from subsurface storage, but the overall rates and magnitude of groundwater depletion and capture relative to groundwater withdrawals (extraction or pumpage) have not previously been well characterized. This study assesses the partitioning of long-term cumulative withdrawal volumes into fractions derived from storage depletion and capture, where capture includes both increases in recharge and decreases in discharge. Numerical simulation of a hypothetical groundwater basin is used to further illustrate some of Theis' (1940) principles, particularly when capture is constrained by insufficient available water. Most prior studies of depletion and capture have assumed that capture is unconstrained through boundary conditions that yield linear responses. Examination of real systems indicates that capture and depletion fractions are highly variable in time and space. For a large sample of long-developed groundwater systems, the depletion fraction averages about 0.15 and the capture fraction averages about 0.85 based on cumulative volumes. Higher depletion fractions tend to occur in more arid regions, but the variation is high and the correlation coefficient between average annual precipitation and depletion fraction for individual systems is only 0.40. Because 85% of long-term pumpage is derived from capture in these real systems, capture must be recognized as a critical factor in assessing water budgets, groundwater storage depletion, and sustainability of groundwater development. Most capture translates into streamflow depletion, so it can detrimentally impact ecosystems. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.

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

Wykes, M., E-mail: mikewykes@gmail.com; Parambil, R.; Gierschner, J.

Here, we present a general approach to treating vibronic coupling in molecular crystals based on atomistic simulations of large clusters. Such clusters comprise model aggregates treated at the quantum chemical level embedded within a realistic environment treated at the molecular mechanics level. As we calculate ground and excited state equilibrium geometries and vibrational modes of model aggregates, our approach is able to capture effects arising from coupling to intermolecular degrees of freedom, absent from existing models relying on geometries and normal modes of single molecules. Using the geometries and vibrational modes of clusters, we are able to simulate the fluorescencemore » spectra of aggregates for which the lowest excited state bears negligible oscillator strength (as is the case, e.g., ideal H-aggregates) by including both Franck-Condon (FC) and Herzberg-Teller (HT) vibronic transitions. The latter terms allow the adiabatic excited state of the cluster to couple with vibrations in a perturbative fashion via derivatives of the transition dipole moment along nuclear coordinates. While vibronic coupling simulations employing FC and HT terms are well established for single-molecules, to our knowledge this is the first time they are applied to molecular aggregates. Here, we apply this approach to the simulation of the low-temperature fluorescence spectrum of para-distyrylbenzene single-crystal H-aggregates and draw comparisons with coarse-grained Frenkel-Holstein approaches previously extensively applied to such systems.« less

Polaronic deformation at the Fe2+/3 + impurity site in Fe:LiNbO3 crystals

NASA Astrophysics Data System (ADS)

Sanson, A.; Zaltron, A.; Argiolas, N.; Sada, C.; Bazzan, M.; Schmidt, W. G.; Sanna, S.

2015-03-01

Iron doped LiNbO3 crystals with different iron valence states are investigated. An extended x-ray absorption fine structure (EXAFS) spectroscopy study highlights evident changes in the local structure around iron that can be ascribed to the presence of small polarons. In particular, when a Fe3+ replaced a Li ion, the oxygen octahedron shrinked with respect to the pure material, with an average iron-oxygen bond value very similar to that of Fe2O3 hematite. When adding an electron, it localizes at the Fe site in a configuration very close to the atomic Fe d orbitals, inducing a relaxation of the oxygen cage. The same system was modelled by spin-polarized density functional theory (DFT). Several local as well as hybrid exchange-correlation functionals were probed on the bulk LiNbO3 structural properties. The computation is then extended to the case of hematite and finally to the Fe defect in LiNbO3. The calculations reproduced with good accuracy the large lattice relaxation of the oxygen ligands associated to the electronic capture at the Fe center that can be interpreted as due to the polaron formation. The calculations reproduce satisfactorily the available EXAFS data, and allow for the estimation of the polaron energies and the optical properties of the defect.

Crystal identification for a dual-layer-offset LYSO based PET system via Lu-176 background radiation and mean shift algorithm

NASA Astrophysics Data System (ADS)

Wei, Qingyang; Ma, Tianyu; Xu, Tianpeng; Zeng, Ming; Gu, Yu; Dai, Tiantian; Liu, Yaqiang

2018-01-01

Modern positron emission tomography (PET) detectors are made from pixelated scintillation crystal arrays and readout by Anger logic. The interaction position of the gamma-ray should be assigned to a crystal using a crystal position map or look-up table. Crystal identification is a critical procedure for pixelated PET systems. In this paper, we propose a novel crystal identification method for a dual-layer-offset LYSO based animal PET system via Lu-176 background radiation and mean shift algorithm. Single photon event data of the Lu-176 background radiation are acquired in list-mode for 3 h to generate a single photon flood map (SPFM). Coincidence events are obtained from the same data using time information to generate a coincidence flood map (CFM). The CFM is used to identify the peaks of the inner layer using the mean shift algorithm. The response of the inner layer is deducted from the SPFM by subtracting CFM. Then, the peaks of the outer layer are also identified using the mean shift algorithm. The automatically identified peaks are manually inspected by a graphical user interface program. Finally, a crystal position map is generated using a distance criterion based on these peaks. The proposed method is verified on the animal PET system with 48 detector blocks on a laptop with an Intel i7-5500U processor. The total runtime for whole system peak identification is 67.9 s. Results show that the automatic crystal identification has 99.98% and 99.09% accuracy for the peaks of the inner and outer layers of the whole system respectively. In conclusion, the proposed method is suitable for the dual-layer-offset lutetium based PET system to perform crystal identification instead of external radiation sources.

A polycrystal plasticity model of strain localization in irradiated iron

NASA Astrophysics Data System (ADS)

Barton, Nathan R.; Arsenlis, Athanasios; Marian, Jaime

2013-02-01

At low to intermediate homologous temperatures, the degradation of structural materials performance in nuclear environments is associated with high number densities of nanometric defects produced in irradiation cascades. In polycrystalline ferritic materials, self-interstitial dislocations loops are a principal signature of irradiation damage, leading to a mechanical response characterized by increased yield strengths, decreased total strain to failure, and decreased work hardening as compared to the unirradiated behavior. Above a critical defect concentration, the material deforms by plastic flow localization, giving rise to strain softening in terms of the engineering stress-strain response. Flow localization manifests itself in the form of defect-depleted crystallographic channels, through which all dislocation activity is concentrated. In this paper, we describe the formulation of a crystal plasticity model for pure Fe embedded in a finite element polycrystal simulator and present results of uniaxial tensile deformation tests up to 10% strain. We use a tensorial damage descriptor variable to capture the evolution of the irradiation damage loop subpopulation during deformation. The model is parameterized with detailed dislocation dynamics simulations of tensile tests up to 1.5% deformation of systems containing various initial densities of irradiation defects. The coarse-grained simulations are shown to capture the essential details of the experimental stress response observed in ferritic alloys and steels. Our methodology provides an effective linkage between the defect scale, of the order of one nanometer, and the continuum scale involving multiple grain orientations.

Validation of enhanced kinect sensor based motion capturing for gait assessment

PubMed Central

Müller, Björn; Ilg, Winfried; Giese, Martin A.

2017-01-01

Optical motion capturing systems are expensive and require substantial dedicated space to be set up. On the other hand, they provide unsurpassed accuracy and reliability. In many situations however flexibility is required and the motion capturing system can only temporarily be placed. The Microsoft Kinect v2 sensor is comparatively cheap and with respect to gait analysis promising results have been published. We here present a motion capturing system that is easy to set up, flexible with respect to the sensor locations and delivers high accuracy in gait parameters comparable to a gold standard motion capturing system (VICON). Further, we demonstrate that sensor setups which track the person only from one-side are less accurate and should be replaced by two-sided setups. With respect to commonly analyzed gait parameters, especially step width, our system shows higher agreement with the VICON system than previous reports. PMID:28410413

Control of interface shape during high melting sesquioxide crystal growth by HEM technique

NASA Astrophysics Data System (ADS)

Hu, Kaiwei; Zheng, Lili; Zhang, Hui

2018-02-01

During crystal growth in heat exchanger method (HEM) system, the shape of the growth interface changes with the proceeding of the growth process, which limits the crystal size and reduces the quality of the crystal. In this paper, a modified HEM system is proposed to control the interface shape for growth of sesquioxide crystals. Numerical simulation is performed to predict heat transfer, melt flow and interface shape during growth of high melting sesquioxide crystals by the heat exchanger method. The results show that a flat or slightly convex interface shape is beneficial to reduce the solute pileup in front of the melt/crystal interface and decrease the radial temperature gradient inside the crystal during growth of sesquioxide crystals. The interface shape can be controlled by adjusting the gap size d and lower resistance heater power during growth. The growth rate and the melt/crystal interface position can be obtained by two measured temperatures.

Crystal plasticity modeling of β phase deformation in Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Moore, John A.; Barton, Nathan R.; Florando, Jeff; Mulay, Rupalee; Kumar, Mukul

2017-10-01

Ti-6Al-4V is an alloy of titanium that dominates titanium usage in applications ranging from mass-produced consumer goods to high-end aerospace parts. The material’s structure on a microscale is known to affect its mechanical properties but these effects are not fully understood. Specifically, this work will address the effects of low volume fraction intergranular β phase on Ti-6Al-4V’s mechanical response during the transition from elastic to plastic deformation. A crystal plasticity-based finite element model is used to fully resolve the deformation of the β phase for the first time. This high fidelity model captures mechanisms difficult to access via experiments or lower fidelity models. The results are used to assess lower fidelity modeling assumptions and identify phenomena that have ramifications for failure of the material.

Investigating gas-phase defect formation in late-stage solidification using a novel phase-field crystal alloy model

NASA Astrophysics Data System (ADS)

Wang, Nan; Smith, Nathan; Provatas, Nikolas

2017-09-01

We study late-stage solidification and the associated formation of defects in alloy materials using a novel model based on the phase-field-crystal technique. It is shown that our model successfully captures several important physical phenomena that occur in the late stages of solidification, including solidification shrinkage, liquid cavitation and microsegregation, all in a single framework. By examining the interplay of solidification shrinkage and solute segregation, this model reveals that the formation of gas pore defects at the late stage of solidification can lead to nucleation of second phase solid particles due to solute enrichment in the eutectic liquid driven by gas-phase nucleation and growth. We also predict a modification of the Gulliver-Scheil equation in the presence of gas pockets in confined liquid pools.

Imaging of gout: an overview.

PubMed

Dalbeth, Nicola; Doyle, Anthony J

2012-12-01

The diverse clinical states and sites of pathology in gout provide challenges when considering the features apparent on imaging. Ideally, an imaging modality should capture all aspects of disease including monosodium urate crystal deposition, acute inflammation, tophus, tissue remodelling and complications of disease. The modalities used in gout include conventional radiography, ultrasonography, magnetic resonance imaging, computed tomography and dual-energy computed tomography. This review discusses the role of each of these imaging modalities in gout, focussing on the imaging characteristics, role in gout diagnosis and role for disease monitoring. Ultrasonography and dual-energy computed tomography are particularly promising methods for both non-invasive diagnosis and monitoring of disease. The observation that ultrasonographic appearances of monosodium urate crystal deposition can be observed in patients with hyperuricaemia but no other clinical features of gout raises important questions about disease definitions. Copyright © 2012 Elsevier Ltd. All rights reserved.

Human immunoglobulin E flexes between acutely bent and extended conformations

PubMed Central

Keeble, Anthony H; Wright, Michael; Cain, Katharine; Hailu, Hanna; Oxbrow, Amanda; Delgado, Jean; Shuttleworth, Lindsay K; Kao, Michael W-P; McDonnell, James M; Beavil, Andrew J; Henry, Alistair J; Sutton, Brian J

2014-01-01

Crystallographic and solution studies have shown that IgE molecules are acutely bent in their Fc region. Crystal structures reveal the Cε2 domain pair folded back onto the Cε3-Cε4 domains, but is the molecule exclusively bent or can the Cε2 domains adopt extended conformations and even “flip” from one side of the molecule to the other? We report the crystal structure of IgE-Fc captured in a fully extended, symmetrical conformation and show by molecular dynamics, calorimetry, stopped-flow kinetic, SPR and FRET analyses, that the antibody can indeed adopt such extended conformations in solution. This diversity of conformational states available to IgE-Fc offers a new perspective on IgE function in allergen recognition, as part of the B cell receptor and as a therapeutic target in allergic disease. PMID:24632569

Capturing Hammerhead Ribozyme Structures in Action by Modulating General Base Catalysis

PubMed Central

Chi, Young-In; Martick, Monika; Lares, Monica; Kim, Rosalind; Scott, William G; Kim, Sung-Hou

2008-01-01

We have obtained precatalytic (enzyme–substrate complex) and postcatalytic (enzyme–product complex) crystal structures of an active full-length hammerhead RNA that cleaves in the crystal. Using the natural satellite tobacco ringspot virus hammerhead RNA sequence, the self-cleavage reaction was modulated by substituting the general base of the ribozyme, G12, with A12, a purine variant with a much lower pKa that does not significantly perturb the ribozyme's atomic structure. The active, but slowly cleaving, ribozyme thus permitted isolation of enzyme–substrate and enzyme–product complexes without modifying the nucleophile or leaving group of the cleavage reaction, nor any other aspect of the substrate. The predissociation enzyme-product complex structure reveals RNA and metal ion interactions potentially relevant to transition-state stabilization that are absent in precatalytic structures. PMID:18834200

Fluorescence-based remote irradiation sensor in liquid-filled hollow-core photonic crystal fiber

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

Zeltner, R.; Russell, P. St.J.; Department of Physics, University of Erlangen-Nuremberg, Guenther-Scharowsky-Str. 1, 91058 Erlangen

2016-06-06

We report an irradiation sensor based on a fluorescent “flying particle” that is optically trapped and propelled inside the core of a water-filled hollow-core photonic crystal fiber. When the moving particle passes through an irradiated region, its emitted fluorescence is captured by guided modes of the fiber core and so can be monitored using a filtered photodiode placed at the fiber end. The particle speed and position can be precisely monitored using in-fiber Doppler velocimetry, allowing the irradiation profile to be measured to a spatial resolution of ∼10 μm. The spectral response can be readily adjusted by appropriate choice of particlemore » material. Using dye-doped polystyrene particles, we demonstrate detection of green (532 nm) and ultraviolet (340 nm) light.« less

Photonic crystal resonances for sensing and imaging

NASA Astrophysics Data System (ADS)

Pitruzzello, Giampaolo; Krauss, Thomas F.

2018-07-01

This review provides an insight into the recent developments of photonic crystal (PhC)-based devices for sensing and imaging, with a particular emphasis on biosensors. We focus on two main classes of devices, namely sensors based on PhC cavities and those on guided mode resonances (GMRs). This distinction is able to capture the richness of possibilities that PhCs are able to offer in this space. We present recent examples highlighting applications where PhCs can offer new capabilities, open up new applications or enable improved performance, with a clear emphasis on the different types of structures and photonic functions. We provide a critical comparison between cavity-based devices and GMR devices by highlighting strengths and weaknesses. We also compare PhC technologies and their sensing mechanism to surface plasmon resonance, microring resonators and integrated interferometric sensors.

Non-interferometric phase retrieval using refractive index manipulation

PubMed Central

Chen, Chyong-Hua; Hsu, Hsin-Feng; Chen, Hou-Ren; Hsieh, Wen-Feng

2017-01-01

We present a novel, inexpensive and non-interferometric technique to retrieve phase images by using a liquid crystal phase shifter without including any physically moving parts. First, we derive a new equation of the intensity-phase relation with respect to the change of refractive index, which is similar to the transport of the intensity equation. The equation indicates that this technique is unneeded to consider the variation of magnifications between optical images. For proof of the concept, we use a liquid crystal mixture MLC 2144 to manufacture a phase shifter and to capture the optical images in a rapid succession by electrically tuning the applied voltage of the phase shifter. Experimental results demonstrate that this technique is capable of reconstructing high-resolution phase images and to realize the thickness profile of a microlens array quantitatively. PMID:28387382

Transforming Functional Requirements from UML into BPEL to Efficiently Develop SOA-Based Systems

NASA Astrophysics Data System (ADS)

Vemulapalli, Anisha; Subramanian, Nary

The intended behavior of any system such as services, tasks or functions can be captured by functional requirements of the system. As our dependence on online services has grown steadily, the web applications are being developed employing the SOA. BPEL4WS provides a means for expressing functional requirements of an SOA-based system by providing constructs to capture business goals and objectives for the system. In this paper we propose an approach for transforming user-centered requirements captured using UML into a corresponding BPEL specification, where the business processes are captured by means of use-cases from which UML sequence diagrams and activity diagrams are extracted. Subsequently these UML models are mapped to BPEL specifications that capture the essence of the initial business requirements to develop the SOA-based system by employing CASE tools. A student housing system is used as a case study to illustrate this approach and the system is validated using NetBeans.

Approaches to automated protein crystal harvesting

PubMed Central

Deller, Marc C.; Rupp, Bernhard

2014-01-01

The harvesting of protein crystals is almost always a necessary step in the determination of a protein structure using X-ray crystallographic techniques. However, protein crystals are usually fragile and susceptible to damage during the harvesting process. For this reason, protein crystal harvesting is the single step that remains entirely dependent on skilled human intervention. Automation has been implemented in the majority of other stages of the structure-determination pipeline, including cloning, expression, purification, crystallization and data collection. The gap in automation between crystallization and data collection results in a bottleneck in throughput and presents unfortunate opportunities for crystal damage. Several automated protein crystal harvesting systems have been developed, including systems utilizing microcapillaries, microtools, microgrippers, acoustic droplet ejection and optical traps. However, these systems have yet to be commonly deployed in the majority of crystallography laboratories owing to a variety of technical and cost-related issues. Automation of protein crystal harvesting remains essential for harnessing the full benefits of fourth-generation synchrotrons, free-electron lasers and microfocus beamlines. Furthermore, automation of protein crystal harvesting offers several benefits when compared with traditional manual approaches, including the ability to harvest microcrystals, improved flash-cooling procedures and increased throughput. PMID:24637746

Beam dynamic simulation and optimization of the CLIC positron source and the capture linac

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

Bayar, C., E-mail: cafer.bayar@cern.ch; CERN, Geneva; Doebert, S., E-mail: Steffen.Doebert@cern.ch

2016-03-25

The CLIC Positron Source is based on the hybrid target composed of a crystal and an amorphous target. Simulations have been performed from the exit of the amorphous target to the end of pre-injector linac which captures and accelerates the positrons to an energy of 200 MeV. Simulations are performed by the particle tracking code PARMELA. The magnetic field of the AMD is represented in PARMELA by simple coils. Two modes are applied in this study. The first one is accelerating mode based on acceleration after the AMD. The second one is decelerating mode based on deceleration in the first acceleratingmore » structure. It is shown that the decelerating mode gives a higher yield for the e{sup +} beam in the end of the Pre-Injector Linac.« less

Capturing asteroids into bound orbits around the earth: Massive early return on an asteroid terminal defense system

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

Hills, J.G.

1992-02-06

Nuclear explosives may be used to capture small asteroids (e.g., 20--50 meters in diameter) into bound orbits around the earth. The captured objects could be used for construction material for manned and unmanned activity in Earth orbit. Asteroids with small approach velocities, which are the ones most likely to have close approaches to the Earth, require the least energy for capture. They are particularly easy to capture if they pass within one Earth radius of the surface of the Earth. They could be intercepted with intercontinental missiles if the latter were retrofit with a more flexible guiding and homing capability.more » This asteroid capture-defense system could be implemented in a few years at low cost by using decommissioned ICMs. The economic value of even one captured asteroid is many times the initial investment. The asteroid capture system would be an essential part of the learning curve for dealing with larger asteroids that can hit the earth.« less

Drop deployment system for crystal growth apparatus

NASA Technical Reports Server (NTRS)

Rhodes, Percy (Inventor); Snyder, Robert S. (Inventor); Pusey, Marc L. (Inventor)

1990-01-01

A crystal growth apparatus is presented. It utilizes a vapor diffusion method for growing protein crystals, and particularly such an apparatus wherein a ball mixer is used to mix the fluids that form a drop within which crystals are grown. Particular novelty of this invention lies in utilizing a ball mixer to completely mix the precipitate and protein solutions prior to forming the drop. Additional novelty lies in details of construction of the vials, the fluid deployment system, and the fluid storage system of the preferred embodiment.

Density Measurement of Tridecane by using Hydrostatic Weighing System at Density Laboratory, NML-SIRIM

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

Nor, Mohd. Fazrul Hisyam Mohd.; Othman, Hafidzah; Abidin, Abd. Rashid Zainal

2009-07-07

This paper presents the density measurement of tridecane by using hydrostatic weighing system, which is currently practised in Density Laboratory of National Metrology Laboratory (NML), SIRIM Berhad. This system weighed the crystal sphere while the crystal sphere was immersed in the tridecane. The volume and mass in air of the crystal sphere were calibrated at KRISS, Korea. The uncertainties of volume and mass in air of the crystal sphere were 4 ppm and 0.3 ppm respectively.

40 CFR 63.4291 - What are my options for meeting the emission limits?

Code of Federal Regulations, 2010 CFR

2010-07-01

... emission capture systems and add-on controls, the organic HAP emission rate for the web coating/printing... demonstrate that all capture systems and control devices for the web coating/printing operation(s) meet the... capture systems and control devices for the web coating/printing operation(s) meet the operating limits...

40 CFR 63.4181 - What definitions apply to this subpart?

Code of Federal Regulations, 2011 CFR

2011-07-01

... commercial or industrial HVAC systems. Manufacturer's formulation data means data on a material (such as a... capture system efficiency means the portion (expressed as a percentage) of the pollutants from an emission source that is delivered to an add-on control device. Capture system means one or more capture devices...

40 CFR 63.4181 - What definitions apply to this subpart?

Code of Federal Regulations, 2012 CFR

2012-07-01

... commercial or industrial HVAC systems. Manufacturer's formulation data means data on a material (such as a.... Capture efficiency or capture system efficiency means the portion (expressed as a percentage) of the pollutants from an emission source that is delivered to an add-on control device. Capture system means one or...

40 CFR 63.4181 - What definitions apply to this subpart?

Code of Federal Regulations, 2014 CFR

2014-07-01

... commercial or industrial HVAC systems. Manufacturer's formulation data means data on a material (such as a.... Capture efficiency or capture system efficiency means the portion (expressed as a percentage) of the pollutants from an emission source that is delivered to an add-on control device. Capture system means one or...

40 CFR 63.4181 - What definitions apply to this subpart?

Code of Federal Regulations, 2010 CFR

2010-07-01

... commercial or industrial HVAC systems. Manufacturer's formulation data means data on a material (such as a... capture system efficiency means the portion (expressed as a percentage) of the pollutants from an emission source that is delivered to an add-on control device. Capture system means one or more capture devices...

40 CFR 63.4181 - What definitions apply to this subpart?

Code of Federal Regulations, 2013 CFR

2013-07-01

... commercial or industrial HVAC systems. Manufacturer's formulation data means data on a material (such as a.... Capture efficiency or capture system efficiency means the portion (expressed as a percentage) of the pollutants from an emission source that is delivered to an add-on control device. Capture system means one or...

A Few Good Crystals Please

NASA Technical Reports Server (NTRS)

Judge, Russell A.; Snell, Edward H.

1999-01-01

Part of the challenge of macromolecular crystal growth for structure determination is obtaining an appropriate number of crystals with a crystal volume suitable for X-ray analysis. In this respect an understanding of the effect of solution conditions on macromolecule nucleation rates is advantageous. This study investigated the effects of solution conditions on the nucleation rate and final crystal size of two crystal systems; tetragonal lysozyme and glucose isomerase. Batch crystallization plates were prepared at given solution concentration and incubated at set temperatures over one week. The number of crystals per well with their size and axial ratios were recorded and correlated with solution conditions. Duplicate experiments indicate the reproducibility of the technique. Results for each system showing the effect of supersaturation, incubation temperature and solution pH on nucleation rates will be presented and discussed. In the case of lysozyme, having optimized solution conditions to produce an appropriate number of crystals of a suitable size, a batch of crystals were prepared under exactly the same conditions. Fifty of these crystals were analyzed by x-ray techniques. The results indicate that even under the same crystallization conditions, a marked variation in crystal properties exists.

Crystallization characteristics of iron-rich glass ceramics prepared from nickel slag and blast furnace slag

NASA Astrophysics Data System (ADS)

Wang, Zhong-Jie; Ni, Wen; Li, Ke-Qing; Huang, Xiao-Yan; Zhu, Li-Ping

2011-08-01

The crystallization process of iron-rich glass-ceramics prepared from the mixture of nickel slag (NS) and blast furnace slag (BFS) with a small amount of quartz sand was investigated. A modified melting method which was more energy-saving than the traditional methods was used to control the crystallization process. The results show that the iron-rich system has much lower melting temperature, glass transition temperature ( T g), and glass crystallization temperature ( T c), which can result in a further energy-saving process. The results also show that the system has a quick but controllable crystallization process with its peak crystallization temperature at 918°C. The crystallization of augite crystals begins from the edge of the sample and invades into the whole sample. The crystallization process can be completed in a few minutes. A distinct boundary between the crystallized part and the non-crystallized part exists during the process. In the non-crystallized part showing a black colour, some sphere-shaped augite crystals already exist in the glass matrix before samples are heated to T c. In the crystallized part showing a khaki colour, a compact structure is formed by augite crystals.

Imaging birefringent crystals using micro optical coherence tomography (Conference Presentation)

NASA Astrophysics Data System (ADS)

Sharma, Gargi; Singh, Kanwarpal; Gardecki, Joseph A.; Tearney, Guillermo J.

2017-02-01

Background: Uric acid crystals have recently been identified as a possible therapeutic target for coronary artery disease. Being subcellular in size, it is difficult to identify these crystals in situ. Micro optical coherence tomography (Micro-OCT) allows one to image subcellular structures with 1-micron resolution. Even though Micro-OCT should be capable of resolving urate crystals, it's difficult to differentiate these structures from other scattering particles within tissue. In this work we developed a novel polarization sensitive micro OCT (ps-Micro-OCT) system for identification of uric acid crystals. Methods: A spectrometer based ps-Micro-OCT system was developed using a broadband light source. The broadband input light was divided into reference and sample signals using a beam splitter. The reference signal was further divided into two polarized signals with different polarization states. Reflected reference and sample signals were combined and sent to a spectrometer that recorded the interference signal. Results: To test the performance of system, a mirror was used as sample and a quarter wave-plate was placed in the sample path. The measured quarter wave-plate angle values matched closely to actual angle values. Next we prepared uric acid crystals in our lab and imaged them using this system.We were able to image and identify these crystals based on polarization measurements. Conclusion: In this work we imaged and identified uric acid crystals using a newly developed ps-Micro-OCT system. The proposed technique will enable imaging uric acid crystals in coronary artery.

Solid-state reaction kinetics of neodymium doped magnesium hydrogen phosphate system

NASA Astrophysics Data System (ADS)

Gupta, Rashmi; Slathia, Goldy; Bamzai, K. K.

2018-05-01

Neodymium doped magnesium hydrogen phosphate (NdMHP) crystals were grown by using gel encapsulation technique. Structural characterization of the grown crystals has been carried out by single crystal X-ray diffraction (XRD) and it revealed that NdMHP crystals crystallize in orthorhombic crystal system with space group Pbca. Kinetics of the decomposition of the grown crystals has been studied by non-isothermal analysis. The estimation of decomposition temperatures and weight loss has been made from the thermogravimetric/differential thermo analytical (TG/DTA) in conjuncture with DSC studies. The various steps involved in the thermal decomposition of the material have been analysed using Horowitz-Metzger, Coats-Redfern and Piloyan-Novikova equations for evaluating various kinetic parameters.

40 CFR 63.3546 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2010 CFR

2010-07-01

... system and add-on control device operating limits during the performance test? 63.3546 Section 63.3546... device or system of multiple capture devices. The average duct static pressure is the maximum operating... Add-on Controls Option § 63.3546 How do I establish the emission capture system and add-on control...

40 CFR 63.4966 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2013 CFR

2013-07-01

... system and add-on control device operating limits during the performance test? 63.4966 Section 63.4966... outlet gas temperature is the maximum operating limit for your condenser. (e) Emission capture system... Emission Rate with Add-on Controls Option § 63.4966 How do I establish the emission capture system and add...

40 CFR 63.3546 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2011 CFR

2011-07-01

... system and add-on control device operating limits during the performance test? 63.3546 Section 63.3546... device or system of multiple capture devices. The average duct static pressure is the maximum operating... Add-on Controls Option § 63.3546 How do I establish the emission capture system and add-on control...

40 CFR 63.4966 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2011 CFR

2011-07-01

... system and add-on control device operating limits during the performance test? 63.4966 Section 63.4966... outlet gas temperature is the maximum operating limit for your condenser. (e) Emission capture system... with Add-on Controls Option § 63.4966 How do I establish the emission capture system and add-on control...

40 CFR 63.4966 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2010 CFR

2010-07-01

... system and add-on control device operating limits during the performance test? 63.4966 Section 63.4966... outlet gas temperature is the maximum operating limit for your condenser. (e) Emission capture system... with Add-on Controls Option § 63.4966 How do I establish the emission capture system and add-on control...

41 CFR 301-71.2 - What are the standard data elements and when must they be captured on a travel accounting system?

Code of Federal Regulations, 2010 CFR

2010-07-01

... data elements and when must they be captured on a travel accounting system? 301-71.2 Section 301-71.2 Public Contracts and Property Management Federal Travel Regulation System TEMPORARY DUTY (TDY) TRAVEL... the standard data elements and when must they be captured on a travel accounting system? The data...

KSC-08pd2387

NASA Image and Video Library

2008-08-12

CAPE CANAVERAL, Fla. – In the Payload Hazardous Servicing Facility at NASA's Kennedy Space Center, technicians monitor the lifting of the Soft Capture Mechanism (SCM), part of the Soft Capture and Rendezvous System, or SCRS, from its shipping container. The SCRS will enable the future rendezvous, capture and safe disposal of Hubble by either a crewed or robotic mission. The ring-like device attaches to Hubble’s aft bulkhead. The SCRS greatly increases the current shuttle capture interfaces on Hubble, therefore significantly reducing the rendezvous and capture design complexities associated with the disposal mission. The SCRS comprises the Soft Capture Mechanism system and the Relative Navigation System and is part of the payload on the fifth and final Hubble servicing mission, STS-125, targeted for launch Oct. 8. Photo credit: NASA/Jack Pfaller

(TES) Thermal Enclosure System with (COS) Crystal Observation System

NASA Technical Reports Server (NTRS)

1993-01-01

The COS consists of a specially designed (VDA) Vapor Diffusion Apparatus tray with 6 chambers, a video camera for each chamber, a lighting system, and associated hardware. By observing the crystal growth in each chamber, researchers can identify which conditions and concentrations of proteins and precipitants are best for promoting the crystal growth to a particular protein.

Studies on the growth aspects, structural, thermal, dielectric and third order nonlinear optical properties of solution grown 4-methylpyridinium p-nitrophenolate single crystal

NASA Astrophysics Data System (ADS)

Devi, S. Reena; Kalaiyarasi, S.; Zahid, I. MD.; Kumar, R. Mohan

2016-11-01

An ionic organic optical crystal of 4-methylpyridinium p-nitrophenolate was grown from methanol by slow evaporation method at ambient temperature. Powder and single crystal X-ray diffraction studies revealed the crystal system and its crystalline perfection. The rocking curve recorded from HRXRD study confirmed the crystal quality. FTIR spectral analysis confirmed the functional groups present in the title compound. UV-visible spectral study revealed the optical window and band gap of grown crystal. The thermal, electrical and surface laser damage threshold properties of harvested crystal were examined by using TGA/DTA, LCR/Impedance Analyzer and Nd:YAG laser system respectively. The third order nonlinear optical property of grown crystal was elucidated by Z-scan technique.

40 CFR 63.3100 - What are my general requirements for complying with this subpart?

Code of Federal Regulations, 2013 CFR

2013-07-01

... be in compliance with the operating limits for emission capture systems and add-on control devices...) You must maintain a log detailing the operation and maintenance of the emission capture systems, add... capture system and add-on control device performance tests have been completed, as specified in § 63.3160...

40 CFR 63.3100 - What are my general requirements for complying with this subpart?

Code of Federal Regulations, 2014 CFR

2014-07-01

... be in compliance with the operating limits for emission capture systems and add-on control devices...) You must maintain a log detailing the operation and maintenance of the emission capture systems, add... capture system and add-on control device performance tests have been completed, as specified in § 63.3160...

40 CFR 63.3100 - What are my general requirements for complying with this subpart?

Code of Federal Regulations, 2012 CFR

2012-07-01

... be in compliance with the operating limits for emission capture systems and add-on control devices...) You must maintain a log detailing the operation and maintenance of the emission capture systems, add... capture system and add-on control device performance tests have been completed, as specified in § 63.3160...

Acceptance and Use of Lecture Capture System (LCS) in Executive Business Studies: Extending UTAUT2

ERIC Educational Resources Information Center

Farooq, Muhammad Shoaib; Salam, Maimoona; Jaafar, Norizan; Fayolle, Alain; Ayupp, Kartinah; Radovic-Markovic, Mirjana; Sajid, Ali

2017-01-01

Purpose: Adoption of latest technological advancements (e.g. lecture capture system) is a hallmark of market-driven private universities. Among many other distinguishing features, lecture capture system (LCS) is the one which is being offered to enhance the flexibility of learning environment for attracting executive business students. Majority of…

The improved scintillation crystal lead tungstate scintillation for PET

NASA Astrophysics Data System (ADS)

Wan, Youbao; WU, Rurong; Xiao, Linrong; Zhang, Jianxin; Yang, Peizhi; Yan, Hui

2009-07-01

As a valuable material for the detecting of γ-ray, PbWO4 and BaF2:PbWO4 crystals were grown by a novel multi-crucible temperature gradient system developed by ourselves. Utilizing a topical partial heating method, this system can form a topical partial high temperature in its hearth. Thus this system could melt raw materials in step by step as requirement. The advantage of this method is that there would be solid obstruct left on the melt in the procedure of the crystal growing up. The left obstruct could prevent the volatilization of the component in the melt. Hence it is helpful for the composition homogenization in the crystal. The system also offers a sustaining device for multi-crucibles and thus it can grow many crystals simultaneity. The optical properties and scintillation properties of the crystals were studied. The results reveal that the ions doping improves the scintillation properties of the crystal. The transmittance spectra show that the transmittance of BaF2:PbWO4 crystals are better than that of PbWO4 crystals. For the PbWO4 crystals, their absorption edge is at 325nm, and their maximum transmittance is 68%. For the BaF2:PbWO4 crystals, their absorption edge is at 325nm and their maximum transmittance is upto76%. The X-ray excited luminescence spectra shows that the luminescence peak is at 420nm for the samples of PbWO4 crystal while the peak is at 430nm for the samples of BaF2:PbWO4 crystal respectively. The luminescence intensity of the samples of BaF2:PbWO4 crystal is about two times than that of PbWO4 crystal. And their peak shape is different for the two kind of crystal. The light yield of BaF2:PbWO4 crystals is about 2.9 times than that of PbWO4 crystal Analyzing these scintillation properties, we find that the VPb 3+ and VO- defects do harm for the optical properties of the crystal. Ions doping method could reduce the defect concentration and improving its illumination performance of the crystal. Specially, the doped F- ions in O2- site can induce the aberrance of the [WO4]2- tetrahedron and form [WO3F]- tetrahedron which has more active blue light yield, thus improve the light yield of the crystal. The improved light yield of BaF2:PbWO4 crystals is valuable for the medical diagnosing instrument PET and CT with high resolving power

Mechanical and electro-optical properties of unconventional liquid crystal systems

NASA Astrophysics Data System (ADS)

Liao, Guangxun

Four types of unconventional liquid crystal systems - amphotropic glycolipids; novel bent-core liquid crystals, bent-core liquid crystal and glycolipid mixtures, and colloidal crystal-liquid crystal systems - were studied and characterized by polarizing microscopy, electrical current, digital scanning calorimetry, and dielectric spectroscopy. Thermotropic properties of glycolipids show a number of unusual properties, most notably high (60-120) relative dielectric constants mainly proportional to the number of polar sugar heads. The relaxation of this dielectric mode is found to be governed by the hydrogen bonding between sugar heads. Studies on novel bent-core liquid crystals reveal a new optically isotropic ferroelectric phase, molecular chirality-induced polarity, and transitions between molecular chirality and polarity driven phases. Mixtures of several bent-core substances with nematic, polar SmA and SmC phases, and a simple amphiphilic sugar lipid with SmA mesophase found to obey the well known miscibility rules, i.e. the sugar lipid mixes best with the polar SmA bent-core material. In addition, the chiral sugar lipid was found to induce tilt to the non-tilted polar SmA phase, which represents a new direction among the chirality--polarity--tilt relations. The effects of the surface properties and electric fields were studied on various colloid particles--and liquid crystal systems. It is found that the surface properties (hydrophobicity, roughness, rubbing) of the substrates are important in determining the size and symmetry of colloidal crystals. The director field of the liquid crystal infiltrated in the colloid crystals can be rendered both random and uniform along one of the crystallographic axis. We present the first observations of DC electric-field-induced rotational and translational motion of finite particles in liquid crystals. The electrorotation is essentially identical to the well - known Quincke rotation, which in liquid crystals triggers an additional translational motion at higher fields. Analysis of the electro-rotation and translations provides new ways to probe local rheological properties of liquid crystals.

Use of anomolous thermal imaging effects for multi-mode systems control during crystal growth

NASA Technical Reports Server (NTRS)

Wargo, Michael J.

1989-01-01

Real time image processing techniques, combined with multitasking computational capabilities are used to establish thermal imaging as a multimode sensor for systems control during crystal growth. Whereas certain regions of the high temperature scene are presently unusable for quantitative determination of temperature, the anomalous information thus obtained is found to serve as a potentially low noise source of other important systems control output. Using this approach, the light emission/reflection characteristics of the crystal, meniscus and melt system are used to infer the crystal diameter and a linear regression algorithm is employed to determine the local diameter trend. This data is utilized as input for closed loop control of crystal shape. No performance penalty in thermal imaging speed is paid for this added functionality. Approach to secondary (diameter) sensor design and systems control structure is discussed. Preliminary experimental results are presented.

Ship-in-a-bottle synthesis of amine-functionalized ionic liquids in NaY zeolite for CO2 capture

PubMed Central

Yu, Yinghao; Mai, Jingzhang; Wang, Lefu; Li, Xuehui; Jiang, Zheng; Wang, Furong

2014-01-01

CO2 capture on solid materials possesses significant advantages on the operation cost, process for large-scale CO2 capture and storage (CCS) that stimulates great interest in exploring high-performance solid CO2 adsorbents. A ship-in-a-bottle strategy was successfully developed to prepare the [APMIM]Br@NaY host–guest system in which an amine-functionalized ionic liquid (IL), 1-aminopropyl-3-methylimidazolium bromide ([APMIM]Br), was in-situ encapsulated in the NaY supercages. The genuine host-guest systems were thoroughly characterized and tested in CO2 capture from simulated flue gas. It was evidenced the encapsulated ILs are more stable than the bulk ILs. These host–guest systems exhibited superb overall CO2 capture capacity up to 4.94 mmol g−1 and the chemically adsorbed CO2 achieved 1.85 mmol g−1 depending on the [APMIM]Br loading amount. The chemisorbed CO2 can be desorbed rapidly by flushing with N2 gas at 50°C. The optimized [APMIM]Br@NaY system remains its original CO2 capture capacity in multiple cycling tests under prolonged harsh adsorption-desorption conditions. The excellent physicochemical properties and the CO2 capture performance of the host-guest systems offer them great promise for the future practice in the industrial CO2 capture. PMID:25104324

Microgravity protein crystallization

PubMed Central

McPherson, Alexander; DeLucas, Lawrence James

2015-01-01

Over the past 20 years a variety of technological advances in X-ray crystallography have shortened the time required to determine the structures of large macromolecules (i.e., proteins and nucleic acids) from several years to several weeks or days. However, one of the remaining challenges is the ability to produce diffraction-quality crystals suitable for a detailed structural analysis. Although the development of automated crystallization systems combined with protein engineering (site-directed mutagenesis to enhance protein solubility and crystallization) have improved crystallization success rates, there remain hundreds of proteins that either cannot be crystallized or yield crystals of insufficient quality to support X-ray structure determination. In an attempt to address this bottleneck, an international group of scientists has explored use of a microgravity environment to crystallize macromolecules. This paper summarizes the history of this international initiative along with a description of some of the flight hardware systems and crystallization results. PMID:28725714

Protein crystal growth in microgravity

NASA Technical Reports Server (NTRS)

Rosenblum, William M.; Delucas, Lawrence J.; Wilson, William W.

1989-01-01

Major advances have been made in several of the experimental aspects of protein crystallography, leaving protein crystallization as one of the few remaining bottlenecks. As a result, it has become important that the science of protein crystal growth is better understood and that improved methods for protein crystallization are developed. Preliminary experiments with both small molecules and proteins indicate that microgravity may beneficially affect crystal growth. For this reason, a series of protein crystal growth experiments using the Space Shuttle was initiated. The preliminary space experiments were used to evolve prototype hardware that will form the basis for a more advanced system that can be used to evaluate effects of gravity on protein crystal growth. Various optical techniques are being utilized to monitor the crystal growth process from the incipient or nucleation stage and throughout the growth phase. The eventual goal of these studies is to develop a system which utilizes optical monitoring for dynamic control of the crystallization process.

Holographic data storage crystals for the LDEF. [long duration exposure facility

NASA Technical Reports Server (NTRS)

Callen, W. Russell; Gaylord, Thomas K.

1992-01-01

Lithium niobate is a significant electro-optic material, with potential applications in ultra high capacity storage and processing systems. Lithium niobate is the material of choice for many integrated optical devices and holographic mass memory systems. For crystals of lithium niobate were passively exposed to the space environment of the Long Duration Exposure Facility (LDEF). Three of these crystals contained volume holograms. Although the crystals suffered the surface damage characteristics of most of the other optical components on the Georgia Tech tray, the crystals were recovered intact. The holograms were severely degraded because of the lengthy exposure, but the bulk properties are being investigated to determine the spaceworthiness for space data storage and retrieval systems.

Provenance Datasets Highlighting Capture Disparities

DTIC Science & Technology

2014-01-01

Vistrails [20], Taverna [21] or Kepler [6], and an OS -observing system like PASS [18]. In less granular workflow systems, the data files, scripts...run, etc. are capturable as long as they are executed within the workflow system. In more granular OS -observing systems, the actual reads, writes...rolling up” very granular information to less granular information. OS -level capture knows that a socket was opened and that data was sent to a foreign

Energy minimization in nematic liquid crystal systems driven by geometric confinement and temperature gradients with applications in colloidal systems

NASA Astrophysics Data System (ADS)

Kolacz, Jakub

We first explore the topology of liquid crystals and look at the fundamental limitations of liquid crystals in confined geometries. The properties of liquid crystal droplets are studied both theoretically and through simulations. We then demonstrate a method of chemically patterning surfaces that allows us to generate periodic arrays of micron-sized liquid crystal droplets and compare them to our simulation results. The parallelizable method of self-localizing liquid crystals using 2D chemical patterning developed here has applications in liquid crystal biosensors and lens arrays. We also present the first work looking at colloidal liquid crystals under the guise of thermophoresis. We observe that strong negative thermophoresis occurs in these systems and develop a theory based on elastic energy minimization. We also calculate a Soret coefficient two orders of magnitude larger than those present in the literature. This large Soret coefficient has considerable potential for improving thermophoretic sorting mechanisms such as Thermal-Field Flow Fractionation and MicroScale Thermophoresis. The final piece of this work demonstrates a method of using projection lithography to polymerize liquid crystal colloids with a defined internal director. While still a work in progress, there is potential for generating systems of active colloids that can change shape upon external stimulus and in the generation of self-folding shapes by selective polymerization and director predetermination in the vain of micro-kirigami.

Binary Colloidal Alloy Test-5: Three-Dimensional Melt

NASA Technical Reports Server (NTRS)

Yodh, Arjun G.

2008-01-01

Binary Colloidal Alloy Test - 5: Three-Dimensional Melt (BCAT-5-3DMelt) photographs initially randomized colloidal samples in microgravity to determine their resulting structure over time. BCAT-5-3D-Melt will allow the scientists to capture the kinetics (evolution) of their samples, as well as the final equilibrium state of each sample. BCAT-5-3D-Melt will look at the mechanisms of melting using three-dimensional temperature sensitive colloidal crystals. Results will help scientists develop fundamental physics concepts previously shadowed by the effects of gravity.

Excitonic mechanism of the photoinduced surface restructuring of copper

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

Molotskii, Michel

An explanation for the photoinduced reconstruction of Cu single-crystal surfaces that was observed by Ernst et al. [Science 279, 679 (1998)] under the influence of visible light is proposed. It is suggested that reconstruction can be attributed to the energy released during the nonradiative decay of excitons that were excited by light irradiation and captured on surface active centers. The estimates performed show that exciton decay on surface steps and adatoms releases enough energy to create surface defects.

Time-resolved forward-light-scattering monitoring of protein–lysozyme aggregation in precrystalline solutions

NASA Astrophysics Data System (ADS)

Wakamatsu, Takashi; Onoda, Takashi; Ogata, Makoto

2018-05-01

An in situ measurement method of monitoring protein aggregation in precrystalline solutions is presented. The method is based on a small-angle forward static light scattering (F-SLS) technique. This technique uses an accurate optical arrangement of a combination of a collimating lens and a CCD to obtain an F-SLS pattern from an aggregate-containing protein solution in one shot. The real-time observation of a crystallizing lysozyme captured the formation of fractal aggregates in the initial formation stage.

Structured laser gain-medium by new bonding for power micro-laser

NASA Astrophysics Data System (ADS)

Kausas, Arvydas; Zheng, Lihe; Taira, Takunori

2017-02-01

In this work, we have compared the Q-switched performance of single rod crystal to a newly developed distributed face cooling structure. This structure was made by surface activated bonding technology and allowed to combine transparent heatsink to a gain crystal at room temperature. The Sapphire and Nd3+:YAG crystal plates were combined in this fashion to produce eight crystal chip which was further used to obtain Q-switch pulses with Cr4+:YAG crystal as saturable absorber. Energy of 9 mJ and pulse duration of 815 ps were achieved. Although the energy obtained with single rod system was 10 mJ, the degradation of the beam prevents such crystal to be used in further applications. This is the first demonstration of distributed face cooling system outperformed conventionally single rod system.

Techno-economic assessment of polymer membrane systems for postcombustion carbon capture at coal-fired power plants.

PubMed

Zhai, Haibo; Rubin, Edward S

2013-03-19

This study investigates the feasibility of polymer membrane systems for postcombustion carbon dioxide (CO(2)) capture at coal-fired power plants. Using newly developed performance and cost models, our analysis shows that membrane systems configured with multiple stages or steps are capable of meeting capture targets of 90% CO(2) removal efficiency and 95+% product purity. A combined driving force design using both compressors and vacuum pumps is most effective for reducing the cost of CO(2) avoided. Further reductions in the overall system energy penalty and cost can be obtained by recycling a portion of CO(2) via a two-stage, two-step membrane configuration with air sweep to increase the CO(2) partial pressure of feed flue gas. For a typical plant with carbon capture and storage, this yielded a 15% lower cost per metric ton of CO(2) avoided compared to a plant using a current amine-based capture system. A series of parametric analyses also is undertaken to identify paths for enhancing the viability of membrane-based capture technology.

Method for acquiring, storing and analyzing crystal images

NASA Technical Reports Server (NTRS)

Gester, Thomas E. (Inventor); Rosenblum, William M. (Inventor); Christopher, Gayle K. (Inventor); Hamrick, David T. (Inventor); Delucas, Lawrence J. (Inventor); Tillotson, Brian (Inventor)

2003-01-01

A system utilizing a digital computer for acquiring, storing and evaluating crystal images. The system includes a video camera (12) which produces a digital output signal representative of a crystal specimen positioned within its focal window (16). The digitized output from the camera (12) is then stored on data storage media (32) together with other parameters inputted by a technician and relevant to the crystal specimen. Preferably, the digitized images are stored on removable media (32) while the parameters for different crystal specimens are maintained in a database (40) with indices to the digitized optical images on the other data storage media (32). Computer software is then utilized to identify not only the presence and number of crystals and the edges of the crystal specimens from the optical image, but to also rate the crystal specimens by various parameters, such as edge straightness, polygon formation, aspect ratio, surface clarity, crystal cracks and other defects or lack thereof, and other parameters relevant to the quality of the crystals.

Experimental Investigation of Orthoenstatite Single Crystal Rheology

NASA Astrophysics Data System (ADS)

fraysse, G.; Girard, J.; Holyoke, C. W.; Raterron, P.

2013-12-01

The plasticity of enstatite, upper mantle second most abundant mineral, is still poorly constrained, mostly because of its high-temperature (T) transformation into proto- and clino-enstatite at low pressure (P). Mackwell (1991, GRL, 18, 2027) reports a pioneer study of protoenstatite (Pbcn) single-crystal rheology, but the results do not directly apply to the orthorhombic (Pbca) mantle phase. Ohuchi et al. (2011, Contri. Mineral. Petrol , 161, 961) carried out deformation experiments at P=1.3 GPa on oriented orthoenstatite crystals, investigating the activity of [001](100) and [001](010) dislocation slip systems; they report the first rheological laws for orthoenstatite crystals. However, strain and stress were indirectly constrained in their experiments, which questioned whether steady state conditions of deformation were achieved. Also, data reported for [001](100) slip system were obtained after specimens had transformed by twinning into clinoenstatite. We report here new data from deformation experiments carried out at high T and P ranging from 3.5 to 6.2 GPa on natural Fe-bearing enstatite single crystals, using the Deformation-DIA apparatus (D-DIA) that equipped the X17B2 beamline of the NSLS (NY, USA). The applied stress and specimen strain rates were measured in situ by X-ray diffraction and imaging techniques (e.g., Raterron & Merkel, 2009, J. Sync. Rad., 16, 748; Raterron et al., 2013, Rev. Sci. Instr., 84, 043906). Three specimen orientations were tested: i) with the compression direction along [101]c crystallographic direction, which forms a 45° angle with both [100] and [001] axes, to investigate [001](100) slip-system activity; ii) along [011]c direction to investigate [001](010) system activity; iii) and along enstatite [125] axis, to activate both slip systems together. Crystals were deformed two by two, to compare slip system activities, or against enstatite aggregates or orientated olivine crystals of known rheology for comparison. Run products microstructures were investigated by transmission electron microscopy. Despite a significant hardening with P, enstatite [001](100) slip system is found to be the easiest system at mantle P and T. Furthermore, orthoenstatite crystals exhibit a higher sensitivity to stress than olivine crystals, i.e. a higher n exponent in classical power laws. At the low stress level prevailing in the Earth mantle, enstatite crystals are thus harder than olivine crystals.

Interface Character of Aluminum-Graphite Metal Matrix Composites.

DTIC Science & Technology

1983-01-27

studied included the commer- cial A/graphite composites; layered model systems on single crystal and poly- crystalline graphite substrates as well as...composition and thickness of the composite interface, and graphite crystal orientation. 3 For the model systems in this study , single crystal graphite...been reviewed by Kingcry. Segregation at surfaces in single- crystal MgO of Fe, Cr and Sc, which were Dresent in concentrations within the single- 3phase

Predicting the crystallization propensity of carboxylic acid buffers in frozen systems--relevance to freeze-drying.

PubMed

Sundaramurthi, Prakash; Suryanarayanan, Raj

2011-04-01

Selective crystallization of buffer components in frozen solutions is known to cause pronounced pH shifts. Our objective was to study the crystallization behavior and the consequent pH shift in frozen aqueous carboxylic acid buffers. Aqueous carboxylic acid buffers were cooled to -25°C and the pH of the solution was measured as a function of temperature. The thermal behavior of solutions during freezing and thawing was investigated by differential scanning calorimetry. The crystallized phases in frozen solution were identified by X-ray diffractometry. The malate buffer system was robust with no evidence of buffer component crystallization and hence negligible pH shift. In the citrate and tartarate systems, at initial pH

40 CFR 63.9324 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2010 CFR

2010-07-01

... capture system and add-on control device operating limits during the performance test? 63.9324 Section 63... Requirements § 63.9324 How do I establish the emission capture system and add-on control device operating... the operating limits required by § 63.9302 according to this section, unless you have received...

40 CFR 63.9324 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2012 CFR

2012-07-01

... capture system and add-on control device operating limits during the performance test? 63.9324 Section 63... Requirements § 63.9324 How do I establish the emission capture system and add-on control device operating... the operating limits required by § 63.9302 according to this section, unless you have received...

40 CFR 63.4167 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2012 CFR

2012-07-01

... capture system and add-on control device operating limits during the performance test? 63.4167 Section 63... capture system and add-on control device operating limits during the performance test? During the... the operating limits required by § 63.4092 according to this section unless you have received approval...

40 CFR 63.9324 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2013 CFR

2013-07-01

... capture system and add-on control device operating limits during the performance test? 63.9324 Section 63... Requirements § 63.9324 How do I establish the emission capture system and add-on control device operating... the operating limits required by § 63.9302 according to this section, unless you have received...

40 CFR 63.9324 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2014 CFR

2014-07-01

... capture system and add-on control device operating limits during the performance test? 63.9324 Section 63... Requirements § 63.9324 How do I establish the emission capture system and add-on control device operating... the operating limits required by § 63.9302 according to this section, unless you have received...

40 CFR 63.4567 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2014 CFR

2014-07-01

... capture system and add-on control device operating limits during the performance test? 63.4567 Section 63... emission capture system and add-on control device operating limits during the performance test? During the... the operating limits required by § 63.4492 according to this section, unless you have received...

40 CFR 63.3967 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2014 CFR

2014-07-01

... capture system and add-on control device operating limits during the performance test? 63.3967 Section 63... establish the emission capture system and add-on control device operating limits during the performance test... must establish the operating limits required by § 63.3892 according to this section, unless you have...

40 CFR 63.9324 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2011 CFR

2011-07-01

... capture system and add-on control device operating limits during the performance test? 63.9324 Section 63... Requirements § 63.9324 How do I establish the emission capture system and add-on control device operating... the operating limits required by § 63.9302 according to this section, unless you have received...

40 CFR 63.4167 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2014 CFR

2014-07-01

... capture system and add-on control device operating limits during the performance test? 63.4167 Section 63... capture system and add-on control device operating limits during the performance test? During the... the operating limits required by § 63.4092 according to this section unless you have received approval...

40 CFR 63.4767 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2014 CFR

2014-07-01

... capture system and add-on control device operating limits during the performance test? 63.4767 Section 63... capture system and add-on control device operating limits during the performance test? During the... the operating limits required by § 63.4692 according to this section, unless you have received...

40 CFR 63.4767 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2012 CFR

2012-07-01

... capture system and add-on control device operating limits during the performance test? 63.4767 Section 63... capture system and add-on control device operating limits during the performance test? During the... the operating limits required by § 63.4692 according to this section, unless you have received...

40 CFR 63.3967 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2012 CFR

2012-07-01

... capture system and add-on control device operating limits during the performance test? 63.3967 Section 63... establish the emission capture system and add-on control device operating limits during the performance test... must establish the operating limits required by § 63.3892 according to this section, unless you have...

40 CFR 63.4567 - How do I establish the emission capture system and add-on control device operating limits during...

Code of Federal Regulations, 2012 CFR

2012-07-01

... capture system and add-on control device operating limits during the performance test? 63.4567 Section 63... emission capture system and add-on control device operating limits during the performance test? During the... the operating limits required by § 63.4492 according to this section, unless you have received...

Crystallization Methods for Preparation of Nanocrystals for Drug Delivery System.

PubMed

Gao, Yuan; Wang, Jingkang; Wang, Yongli; Yin, Qiuxiang; Glennon, Brian; Zhong, Jian; Ouyang, Jinbo; Huang, Xin; Hao, Hongxun

2015-01-01

Low water solubility of drug products causes delivery problems such as low bioavailability. The reduced particle size and increased surface area of nanocrystals lead to the increasing of the dissolution rate. The formulation of drug nanocrystals is a robust approach and has been widely applied to drug delivery system (DDS) due to the significant development of nanoscience and nanotechnology. It can be used to improve drug efficacy, provide targeted delivery and minimize side-effects. Crystallization is the main and efficient unit operation to produce nanocrystals. Both traditional crystallization methods such as reactive crystallization, anti-solvent crystallization and new crystallization methods such as supercritical fluid crystallization, high-gravity controlled precipitation can be used to produce nanocrystals. The current mini-review outlines the main crystallization methods addressed in literature. The advantages and disadvantages of each method were summarized and compared.

Re-awakening Magmatic Systems: The Mechanics of an Open-system Event

NASA Astrophysics Data System (ADS)

Bergantz, George; Burgisser, Alain; Schleicher, Jillian

2016-04-01

The re-awakening of magmatic systems requires new magma input, which often induces mixing with a resident magma existing as a crystal-rich mush. This is expressed by complex phenocryst populations, many of which preserve evidence of multiple episodes of recycling. The unlocking and mobilization of these resident mushes conditions the progress of re-awakening, however their processes are poorly understood. Crystal-rich but mobile systems, dominated by their granular mechanics, are not satisfactorily explained from either fluid or solid-like models. We will present a generalizing framework for describing the mechanics of crystal-rich mushes based on the notion of force chains. Force chains arise from crystal-crystal contacts and describe the highly non-uniform way that stress is transmitted in a crystal-rich mush. Using CFD-DEM simulations that resolve crystal-scale mechanics, we will show how the populations of crystal mush force chains and their spatial fabric change during an open-system event. We will show how the various forms of dissipation, such as: fluid drag, particle-fluid drag, particle normal and shear lubrication, and contact friction, jointly contribute to the processes of magma mush unlocking, mobilization and fabric formation. We will also describe non-intuitive constitutive behavior such as non-local and non-affine deformation as well as complex, rheological transitions from continuous to discontinuous shear thickening as a function of the dimensionless shear rate. One implication of this is that many of the commonly-invoked postulates about magma behavior such as lock-up at a critical crystallinity and suspension rheology, are better understood from a micro-physical (crystal-scale) perspective as a combination of far-field geometrical controls, local frictional thickening and shear jamming, each with distinct time scales. This kind of crystal-based unifying framework can simultaneously recover diverse processes such as strain-localization, shear-induced dilatency, and help to identify the volumes of resident magma re-mobilized during magma system re-awakening.

Effect of local structures on crystallization in deeply undercooled metallic glass-forming liquids

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

Jiang, S. Q.; Li, M. Z., E-mail: maozhili@ruc.edu.cn; Wu, Z. W.

2016-04-21

The crystallization mechanism in deeply undercooled ZrCu metallic glass-forming liquids was investigated via molecular dynamics simulations. It was found that the crystallization process is mainly controlled by the growth of crystal nuclei formed by the BCC-like atomic clusters, consistent with experimental speculations. The crystallization rate is found to relate to the number of growing crystal nuclei in the crystallization process. The crystallization rate in systems with more crystal nuclei is significantly hindered by the larger surface fractions of crystal nuclei and their different crystalline orientations. It is further revealed that in the crystallization in deeply undercooled regions, the BCC-like crystalmore » nuclei are formed from the inside of the precursors formed by the FCC-like atomic clusters, and growing at the expense of the precursors. Meanwhile, the precursors are expanding at the expense of the outside atomic clusters. This process is consistent with the so-called Ostwald step rule. The atomic structures of metallic glasses are found to have significant impact on the subsequent crystallization process. In the Zr{sub 85}Cu{sub 15} system, the stronger spatial correlation of Cu atoms could hinder the crystallization processes in deeply undercooled regions.« less

Occipital TMS at phosphene detection threshold captures attention automatically.

PubMed

Rangelov, Dragan; Müller, Hermann J; Taylor, Paul C J

2015-04-01

Strong stimuli may capture attention automatically, suggesting that attentional selection is determined primarily by physical stimulus properties. The mechanisms underlying capture remain controversial, in particular, whether feedforward subcortical processes are its main source. Also, it remains unclear whether only physical stimulus properties determine capture strength. Here, we demonstrate strong capture in the absence of feedforward input to subcortical structures such as the superior colliculus, by using transcranial magnetic stimulation (TMS) over occipital visual cortex as an attention cue. This implies that the feedforward sweep through subcortex is not necessary for capture to occur but rather provides an additional source of capture. Furthermore, seen cues captured attention more strongly than (physically identical) unseen cues, suggesting that the momentary state of the nervous system modulates attentional selection. In summary, we demonstrate the existence of several sources of attentional capture, and that both physical stimulus properties and the state of the nervous system influence capture. Copyright © 2015 Elsevier Inc. All rights reserved.

Quantitative analysis with advanced compensated polarized light microscopy on wavelength dependence of linear birefringence of single crystals causing arthritis

NASA Astrophysics Data System (ADS)

Takanabe, Akifumi; Tanaka, Masahito; Taniguchi, Atsuo; Yamanaka, Hisashi; Asahi, Toru

2014-07-01

To improve our ability to identify single crystals causing arthritis, we have developed a practical measurement system of polarized light microscopy called advanced compensated polarized light microscopy (A-CPLM). The A-CPLM system is constructed by employing a conventional phase retardation plate, an optical fibre and a charge-coupled device spectrometer in a polarized light microscope. We applied the A-CPLM system to measure linear birefringence (LB) in the visible region, which is an optical anisotropic property, for tiny single crystals causing arthritis, i.e. monosodium urate monohydrate (MSUM) and calcium pyrophosphate dihydrate (CPPD). The A-CPLM system performance was evaluated by comparing the obtained experimental data using the A-CPLM system with (i) literature data for a standard sample, MgF2, and (ii) experimental data obtained using an established optical method, high-accuracy universal polarimeter, for the MSUM. The A-CPLM system was found to be applicable for measuring the LB spectra of the single crystals of MSUM and CPPD, which cause arthritis, in the visible regions. We quantitatively reveal the large difference in LB between MSUM and CPPD crystals. These results demonstrate the usefulness of the A-CPLM system for distinguishing the crystals causing arthritis.

Manual for the Construction of a Mercury Capture System for Use in Gold Shops

EPA Pesticide Factsheets

Download a manual for the construction of a mercury capture system for use in gold shops with detailed information for constructing a device to capture mercury aerosol particles emitted from gold shops that process gold dore’, a gold-mercury amalgam.

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering.

PubMed

Wall, Michael E

2018-03-01

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structure to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

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

Wall, Michael E.

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structuremore » to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.« less

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

DOE PAGES

Wall, Michael E.

2018-01-25

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structuremore » to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.« less

Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ

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

Barends, Thomas R. M., E-mail: thomas.barends@mpimf-heidelberg.mpg.de; Brosi, Richard W. W.; Steinmetz, Andrea

2013-08-01

The crystal structure of the N-terminal part of T. thermophilus DnaJ unexpectedly showed an ordered GF domain and guided the design of a construct enabling the first structure determination of a complete DnaJ cochaperone molecule. By combining the crystal structures with spin-labelling EPR and cross-linking in solution, a dynamic view of this flexible molecule was developed. Hsp70 chaperones assist in a large variety of protein-folding processes in the cell. Crucial for these activities is the regulation of Hsp70 by Hsp40 cochaperones. DnaJ, the bacterial homologue of Hsp40, stimulates ATP hydrolysis by DnaK (Hsp70) and thus mediates capture of substrate protein,more » but is also known to possess chaperone activity of its own. The first structure of a complete functional dimeric DnaJ was determined and the mobility of its individual domains in solution was investigated. Crystal structures of the complete molecular cochaperone DnaJ from Thermus thermophilus comprising the J, GF and C-terminal domains and of the J and GF domains alone showed an ordered GF domain interacting with the J domain. Structure-based EPR spin-labelling studies as well as cross-linking results showed the existence of multiple states of DnaJ in solution with different arrangements of the various domains, which has implications for the function of DnaJ.« less

Single crystal growth, characterization and high-pressure Raman spectroscopy of impurity-free magnesite (MgCO3)

NASA Astrophysics Data System (ADS)

Liang, Wen; Li, Zeming; Yin, Yuan; Li, Rui; Chen, Lin; He, Yu; Dong, Haini; Dai, Lidong; Li, Heping

2018-05-01

The understanding of the physical and chemical properties of magnesite (MgCO3) under deep-mantle conditions is highly important to capture the essence of deep-carbon storage in Earth's interior. To develop standard rating scales, the impurity-free magnesite single crystal, paying particular attention to the case of avoiding adverse impacts of Ca2+, Fe2+, and Mn2+ impurities in natural magnesite, is undoubtedly necessary for all research of magnesite, including crystalline structural phase transitions, anisotropic elasticity and conductivity, and equation of state (EoS). Thus, a high-quality single crystal of impurity-free magnesite was grown successfully for the first time using the self-flux method under high pressure-temperature conditions. The size of the magnesite single crystal, observed in a plane-polarized microscope, exceeds 200 μm, and the crystal exhibits a rhombohedral structure to cleave along the (101) plane. In addition, its composition of Mg0.999 ± 0.001CO3 was quantified through electron probing analysis. The structural property was investigated by means of single crystal X-ray diffraction and the unit cell dimensions obtained in the rhombohedral symmetry of the R\\bar {3}c space group are a = 4.6255 (3) and c = 14.987 (2), and the final R = 0.0243 for 718 reflections. High-pressure Raman spectroscopy of the magnesite single crystal was performed up to 27 GPa at ambient temperature. All Raman active bands, ν i, without any splitting increased almost linearly with increasing pressure. In combination with the high-pressure Raman results {{d/ν _i}}{{{d}P}} and the bulk modulus K T (103 GPa) reported from magnesite EoS studies, the mode Grüneisen parameters (1.49, 1.40, 0.26, and 0.27) of each vibration ( T, L, ν 4, and ν 1) were calculated.

Metal-assisted and microwave accelerated-evaporative crystallization: Application to lysozyme protein

NASA Astrophysics Data System (ADS)

Mauge-Lewis, Kevin

In response to the growing need for new crystallization techniques that afford for rapid processing times along with control over crystal size and distribution, the Aslan Research Group has recently demonstrated the use of Metal-Assisted and Microwave-Accelerated Evaporative Crystallization MA-MAEC technique in conjunction with metal nanoparticles and nanostructures for the crystallization of amino acids and organic small molecules. In this study, we have employed the newly developed MA-MAEC technique to the accelerated crystallization of chicken egg-white lysozyme on circular crystallization platforms in order to demonstrate the proof-of-principle application of the method for protein crystallization. The circular crystallization platforms are constructed in-house from poly (methyl methacrylate) (PMMA) and silver nanoparticle films (SNFs), indium tin oxide (ITO) and iron nano-columns. In this study, we prove the MA-MAEC method to be a more effective technique in the rapid crystallization of macromolecules in comparison to other conventional methods. Furthermore, we demonstrate the use of the novel iCrystal system, which incorporates the use of continuous, low wattage heating to facilitate the rapid crystallization of the lysozyme while still retaining excellent crystal quality. With the incorporation of the iCrystal system, we observe crystallization times that are even shorter than those produced by the MA-MAEC technique using a conventional microwave oven in addition to significantly improved crystal quality.

Flow-induced birefringence measurement system using dual-crystal transverse electro-optic modulator for microgravity fluid physics applications

NASA Technical Reports Server (NTRS)

Mackey, Jeffrey R.

1999-01-01

We have developed a new instrument that can measure fast transient birefringence and polymer chain orientation angle in complex fluids. The instrument uses a dual-crystal transverse electro-optic modulator with the second crystal's modulation voltage applied 180 deg out of phase from that of the first crystal. In this manner, the second crystal compensates for the intrinsic static birefringence of the first crystal, and it doubles the modulation depth. By incorporating a transverse electro-optic modulator with two lithium-niobate (LiNbO3) crystals oriented orthogonal to each other with a custom-designed optical system, we have produced a very small robust instrument capable of fast transient retardation measurements. By measuring the sample thickness or optical path length through the sample, we can calculate the transient birefringence. This system can also measure dichroism. We have compared the calibration results and retardation and orientation angle measurements of this instrument with those of a photoelastic modulator (PEM) based system using a quarter wave plate and a high-precision 1/16-wave plate to simulate a birefringent sample. Transient birefringence measurements on the order of 10(exp -9) can be measured using either modulator.

Crystal structure of a TAPBPR–MHC I complex reveals the mechanism of peptide editing in antigen presentation

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

Jiang, Jiansheng; Natarajan, Kannan; Boyd, Lisa F.

Central to CD8+ T cell–mediated immunity is the recognition of peptide–major histocompatibility complex class I (p–MHC I) proteins displayed by antigen-presenting cells. Chaperone-mediated loading of high-affinity peptides onto MHC I is a key step in the MHC I antigen presentation pathway. However, the structure of MHC I with a chaperone that facilitates peptide loading has not been determined. We report the crystal structure of MHC I in complex with the peptide editor TAPBPR (TAP-binding protein–related), a tapasin homolog. TAPBPR remodels the peptide-binding groove of MHC I, resulting in the release of low-affinity peptide. Changes include groove relaxation, modifications of keymore » binding pockets, and domain adjustments. This structure captures a peptide-receptive state of MHC I and provides insights into the mechanism of peptide editing by TAPBPR and, by analogy, tapasin.« less

Crystal plasticity modeling of β phase deformation in Ti-6Al-4V

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

Moore, John A.; Barton, Nathan R.; Florando, Jeff

Ti-6Al-4V is an alloy of titanium that dominates titanium usage in applications ranging from mass-produced consumer goods to high-end aerospace parts. The material's structure on a microscale is known to affect its mechanical properties but these effects are not fully understood. Specifically, this work will address the effects of low volume fraction intergranular β phase on Ti-6Al-4V's mechanical response during the transition from elastic to plastic deformation. A crystal plasticity-based finite element model is used to fully resolve the deformation of the β phase for the first time. This high fidelity model captures mechanisms difficult to access via experiments ormore » lower fidelity models. Lastly, the results are used to assess lower fidelity modeling assumptions and identify phenomena that have ramifications for failure of the material.« less

High-pressure/high-temperature polymorphs of energetic materials by first-principles simulations

NASA Astrophysics Data System (ADS)

Le, Nam; Schweigert, Igor

2017-06-01

Energetic molecular crystals exhibit complex phase diagrams that include solid-solid phase transitions, melting, and decomposition. Sorescu and Rice have recently demonstrated that first-principles molecular dynamics (MD) simulations based on dispersion-corrected density functional theory (DFT) can capture the α to γ phase transition in hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) on time scales of several picoseconds. Motivated by their work, we are using DFT-based MD to model the relative stability of solid phases in several molecular crystals. In this presentation, we report simulations of pentaerythritol tetranitrate (PETN) and 2,4,6-trinitrotoluene (TNT) under high pressures and temperatures and compare them with experimentally observed polymorphs. This work was supported by the U.S. Naval Research Laboratory via the National Research Council and by the Office of Naval Research through the U.S. Naval Research Laboratory.

Asymptotics for metamaterials and photonic crystals

PubMed Central

Antonakakis, T.; Craster, R. V.; Guenneau, S.

2013-01-01

Metamaterial and photonic crystal structures are central to modern optics and are typically created from multiple elementary repeating cells. We demonstrate how one replaces such structures asymptotically by a continuum, and therefore by a set of equations, that captures the behaviour of potentially high-frequency waves propagating through a periodic medium. The high-frequency homogenization that we use recovers the classical homogenization coefficients in the low-frequency long-wavelength limit. The theory is specifically developed in electromagnetics for two-dimensional square lattices where every cell contains an arbitrary hole with Neumann boundary conditions at its surface and implemented numerically for cylinders and split-ring resonators. Illustrative numerical examples include lensing via all-angle negative refraction, as well as omni-directive antenna, endoscope and cloaking effects. We also highlight the importance of choosing the correct Brillouin zone and the potential of missing interesting physical effects depending upon the path chosen. PMID:23633908

Versatile hydrogel-based nanocrystal microreactors towards uniform fluorescent photonic crystal supraballs

NASA Astrophysics Data System (ADS)

Zhang, Jing; Tian, Yu; Ling, Lu-Ting; Yin, Su-Na; Wang, Cai-Feng; Chen, Su

2014-12-01

Versatile hydrogel-based nanocrystal (NC) microreactors were designed in this work for the construction of uniform fluorescence colloidal photonic crystal (CPC) supraballs. The hydrogel-based microspheres with sizes ranging from 150 to 300 nm were prepared by seeded copolymerization of acrylic acid and 2-hydroxyethyl methacrylate with micrometer-sized PS seed particles. As an independent NC microreactor, the as-synthesized hydrogel microsphere can effectively capture the guest cadmium ions due to the abundant carboxyl groups inside. Followed by the introduction of chalcogenides, in situ generation of higher-uptake NCs with sizes less than 5 nm was finally realized. Additionally, with the aid of the microfluidic device, the as-obtained NC-latex hybrids can be further self-assembled to bi-functional CPC supraballs bearing brilliant structural colors and uniform fluorescence. This research offers an alternative way to finely bind CPCs with NCs, which will facilitate progress in fields of self-assembled functional colloids and photonic materials.

Crystal plasticity modeling of β phase deformation in Ti-6Al-4V

DOE PAGES

Moore, John A.; Barton, Nathan R.; Florando, Jeff; ...

2017-08-24

Ti-6Al-4V is an alloy of titanium that dominates titanium usage in applications ranging from mass-produced consumer goods to high-end aerospace parts. The material's structure on a microscale is known to affect its mechanical properties but these effects are not fully understood. Specifically, this work will address the effects of low volume fraction intergranular β phase on Ti-6Al-4V's mechanical response during the transition from elastic to plastic deformation. A crystal plasticity-based finite element model is used to fully resolve the deformation of the β phase for the first time. This high fidelity model captures mechanisms difficult to access via experiments ormore » lower fidelity models. Lastly, the results are used to assess lower fidelity modeling assumptions and identify phenomena that have ramifications for failure of the material.« less

An electrically tunable plenoptic camera using a liquid crystal microlens array.

PubMed

Lei, Yu; Tong, Qing; Zhang, Xinyu; Sang, Hongshi; Ji, An; Xie, Changsheng

2015-05-01

Plenoptic cameras generally employ a microlens array positioned between the main lens and the image sensor to capture the three-dimensional target radiation in the visible range. Because the focal length of common refractive or diffractive microlenses is fixed, the depth of field (DOF) is limited so as to restrict their imaging capability. In this paper, we propose a new plenoptic camera using a liquid crystal microlens array (LCMLA) with electrically tunable focal length. The developed LCMLA is fabricated by traditional photolithography and standard microelectronic techniques, and then, its focusing performance is experimentally presented. The fabricated LCMLA is directly integrated with an image sensor to construct a prototyped LCMLA-based plenoptic camera for acquiring raw radiation of targets. Our experiments demonstrate that the focused region of the LCMLA-based plenoptic camera can be shifted efficiently through electrically tuning the LCMLA used, which is equivalent to the extension of the DOF.

An electrically tunable plenoptic camera using a liquid crystal microlens array

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

Lei, Yu; School of Automation, Huazhong University of Science and Technology, Wuhan 430074; Wuhan National Laboratory for Optoelectronics, Huazhong University of Science and Technology, Wuhan 430074

2015-05-15

Plenoptic cameras generally employ a microlens array positioned between the main lens and the image sensor to capture the three-dimensional target radiation in the visible range. Because the focal length of common refractive or diffractive microlenses is fixed, the depth of field (DOF) is limited so as to restrict their imaging capability. In this paper, we propose a new plenoptic camera using a liquid crystal microlens array (LCMLA) with electrically tunable focal length. The developed LCMLA is fabricated by traditional photolithography and standard microelectronic techniques, and then, its focusing performance is experimentally presented. The fabricated LCMLA is directly integrated withmore » an image sensor to construct a prototyped LCMLA-based plenoptic camera for acquiring raw radiation of targets. Our experiments demonstrate that the focused region of the LCMLA-based plenoptic camera can be shifted efficiently through electrically tuning the LCMLA used, which is equivalent to the extension of the DOF.« less

Measurement of Wall Shear Stress in High Speed Air Flow Using Shear-Sensitive Liquid Crystal Coating.

PubMed

Zhao, Jisong

2018-05-17

Wall shear stress is an important quantity in fluid mechanics, but its measurement is a challenging task. An approach to measure wall shear stress vector distribution using shear-sensitive liquid crystal coating (SSLCC) is described. The wall shear stress distribution on the test surface beneath high speed jet flow is measured while using the proposed technique. The flow structures inside the jet flow are captured and the results agree well with the streakline pattern that was visualized using the oil-flow technique. In addition, the shock diamonds inside the supersonic jet flow are visualized clearly using SSLCC and the results are compared with the velocity contour that was measured using the particle image velocimetry (PIV) technique. The work of this paper demonstrates the application of SSLCC in the measurement/visualization of wall shear stress in high speed flow.

Modelling of creep hysteresis in ferroelectrics

NASA Astrophysics Data System (ADS)

He, Xuan; Wang, Dan; Wang, Linxiang; Melnik, Roderick

2018-05-01

In the current paper, a macroscopic model is proposed to simulate the hysteretic dynamics of ferroelectric ceramics with creep phenomenon incorporated. The creep phenomenon in the hysteretic dynamics is attributed to the rate-dependent characteristic of the polarisation switching processes induced in the materials. A non-convex Helmholtz free energy based on Landau theory is proposed to model the switching dynamics. The governing equation of single-crystal model is formulated by applying the Euler-Lagrange equation. The polycrystalline model is obtained by combining the single crystal dynamics with a density function which is constructed to model the weighted contributions of different grains with different principle axis orientations. In addition, numerical simulations of hysteretic dynamics with creep phenomenon are presented. Comparison of the numerical results and their experimental counterparts is also presented. It is shown that the creep phenomenon is captured precisely, validating the capability of the proposed model in a range of its potential applications.

An electrically tunable plenoptic camera using a liquid crystal microlens array

NASA Astrophysics Data System (ADS)

Lei, Yu; Tong, Qing; Zhang, Xinyu; Sang, Hongshi; Ji, An; Xie, Changsheng

2015-05-01

Plenoptic cameras generally employ a microlens array positioned between the main lens and the image sensor to capture the three-dimensional target radiation in the visible range. Because the focal length of common refractive or diffractive microlenses is fixed, the depth of field (DOF) is limited so as to restrict their imaging capability. In this paper, we propose a new plenoptic camera using a liquid crystal microlens array (LCMLA) with electrically tunable focal length. The developed LCMLA is fabricated by traditional photolithography and standard microelectronic techniques, and then, its focusing performance is experimentally presented. The fabricated LCMLA is directly integrated with an image sensor to construct a prototyped LCMLA-based plenoptic camera for acquiring raw radiation of targets. Our experiments demonstrate that the focused region of the LCMLA-based plenoptic camera can be shifted efficiently through electrically tuning the LCMLA used, which is equivalent to the extension of the DOF.

Director gliding in a nematic liquid crystal layer: Quantitative comparison with experiments

NASA Astrophysics Data System (ADS)

Mema, E.; Kondic, L.; Cummings, L. J.

2018-03-01

The interaction between nematic liquid crystals and polymer-coated substrates may lead to slow reorientation of the easy axis (so-called "director gliding") when a prolonged external field is applied. We consider the experimental evidence of zenithal gliding observed by Joly et al. [Phys. Rev. E 70, 050701 (2004), 10.1103/PhysRevE.70.050701] and Buluy et al. [J. Soc. Inf. Disp. 14, 603 (2006), 10.1889/1.2235686] as well as azimuthal gliding observed by S. Faetti and P. Marianelli [Liq. Cryst. 33, 327 (2006), 10.1080/02678290500512227], and we present a simple, physically motivated model that captures the slow dynamics of gliding, both in the presence of an electric field and after the electric field is turned off. We make a quantitative comparison of our model results and the experimental data and conclude that our model explains the gliding evolution very well.

Measurement of Wall Shear Stress in High Speed Air Flow Using Shear-Sensitive Liquid Crystal Coating

PubMed Central

Zhao, Jisong

2018-01-01

Wall shear stress is an important quantity in fluid mechanics, but its measurement is a challenging task. An approach to measure wall shear stress vector distribution using shear-sensitive liquid crystal coating (SSLCC) is described. The wall shear stress distribution on the test surface beneath high speed jet flow is measured while using the proposed technique. The flow structures inside the jet flow are captured and the results agree well with the streakline pattern that was visualized using the oil-flow technique. In addition, the shock diamonds inside the supersonic jet flow are visualized clearly using SSLCC and the results are compared with the velocity contour that was measured using the particle image velocimetry (PIV) technique. The work of this paper demonstrates the application of SSLCC in the measurement/visualization of wall shear stress in high speed flow. PMID:29772822

Crystal Plasticity Model of Reactor Pressure Vessel Embrittlement in GRIZZLY

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

Chakraborty, Pritam; Biner, Suleyman Bulent; Zhang, Yongfeng

2015-07-01

The integrity of reactor pressure vessels (RPVs) is of utmost importance to ensure safe operation of nuclear reactors under extended lifetime. Microstructure-scale models at various length and time scales, coupled concurrently or through homogenization methods, can play a crucial role in understanding and quantifying irradiation-induced defect production, growth and their influence on mechanical behavior of RPV steels. A multi-scale approach, involving atomistic, meso- and engineering-scale models, is currently being pursued within the GRIZZLY project to understand and quantify irradiation-induced embrittlement of RPV steels. Within this framework, a dislocation-density based crystal plasticity model has been developed in GRIZZLY that captures themore » effect of irradiation-induced defects on the flow stress behavior and is presented in this report. The present formulation accounts for the interaction between self-interstitial loops and matrix dislocations. The model predictions have been validated with experiments and dislocation dynamics simulation.« less

A Hybrid Multi-Scale Model of Crystal Plasticity for Handling Stress Concentrations

DOE PAGES

Sun, Shang; Ramazani, Ali; Sundararaghavan, Veera

2017-09-04

Microstructural effects become important at regions of stress concentrators such as notches, cracks and contact surfaces. A multiscale model is presented that efficiently captures microstructural details at such critical regions. The approach is based on a multiresolution mesh that includes an explicit microstructure representation at critical regions where stresses are localized. At regions farther away from the stress concentration, a reduced order model that statistically captures the effect of the microstructure is employed. The statistical model is based on a finite element representation of the orientation distribution function (ODF). As an illustrative example, we have applied the multiscaling method tomore » compute the stress intensity factor K I around the crack tip in a wedge-opening load specimen. The approach is verified with an analytical solution within linear elasticity approximation and is then extended to allow modeling of microstructural effects on crack tip plasticity.« less

A Hybrid Multi-Scale Model of Crystal Plasticity for Handling Stress Concentrations

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

Sun, Shang; Ramazani, Ali; Sundararaghavan, Veera

Microstructural effects become important at regions of stress concentrators such as notches, cracks and contact surfaces. A multiscale model is presented that efficiently captures microstructural details at such critical regions. The approach is based on a multiresolution mesh that includes an explicit microstructure representation at critical regions where stresses are localized. At regions farther away from the stress concentration, a reduced order model that statistically captures the effect of the microstructure is employed. The statistical model is based on a finite element representation of the orientation distribution function (ODF). As an illustrative example, we have applied the multiscaling method tomore » compute the stress intensity factor K I around the crack tip in a wedge-opening load specimen. The approach is verified with an analytical solution within linear elasticity approximation and is then extended to allow modeling of microstructural effects on crack tip plasticity.« less

Atomic sites and stability of Cs+ captured within zeolitic nanocavities

PubMed Central

Yoshida, Kaname; Toyoura, Kazuaki; Matsunaga, Katsuyuki; Nakahira, Atsushi; Kurata, Hiroki; Ikuhara, Yumi H.; Sasaki, Yukichi

2013-01-01

Zeolites have potential application as ion-exchangers, catalysts and molecular sieves. Zeolites are once again drawing attention in Japan as stable adsorbents and solidification materials of fission products, such as 137Cs+ from damaged nuclear-power plants. Although there is a long history of scientific studies on the crystal structures and ion-exchange properties of zeolites for practical application, there are still open questions, at the atomic-level, on the physical and chemical origins of selective ion-exchange abilities of different cations and detailed atomic structures of exchanged cations inside the nanoscale cavities of zeolites. Here, the precise locations of Cs+ ions captured within A-type zeolite were analyzed using high-resolution electron microscopy. Together with theoretical calculations, the stable positions of absorbed Cs+ ions in the nanocavities are identified, and the bonding environment within the zeolitic framework is revealed to be a key factor that influences the locations of absorbed cations. PMID:23949184

Thermal neutron radiative capture cross-section of 186W(n, γ)187W reaction

NASA Astrophysics Data System (ADS)

Tan, V. H.; Son, P. N.

2016-06-01

The thermal neutron radiative capture cross section for 186W(n, γ)187W reaction was measured by the activation method using the filtered neutron beam at the Dalat research reactor. An optimal composition of Si and Bi, in single crystal form, has been used as neutron filters to create the high-purity filtered neutron beam with Cadmium ratio of Rcd = 420 and peak energy En = 0.025 eV. The induced activities in the irradiated samples were measured by a high resolution HPGe digital gamma-ray spectrometer. The present result of cross section has been determined relatively to the reference value of the standard reaction 197Au(n, γ)198Au. The necessary correction factors for gamma-ray true coincidence summing, and thermal neutron self-shielding effects were taken into account in this experiment by Monte Carlo simulations.

Collective acceleration of ions in picosecond pinched electron beams

NASA Astrophysics Data System (ADS)

Baryshnikov, V. I.; Paperny, V. L.; Shipayev, I. V.

2017-10-01

Сharacteristics of intense electron-ion beams emitted by a high-voltage (280 kV) electron accelerator with a pulse duration of 200 ps and current 5 kA are studied. The capture phenomena and the subsequent collective acceleration of multi charged ions of the cathode material by the electric field of the electron beam are observed. It is shown that the electron-ion beam diameter does not exceed 30 µm therein in the case of lighter ions, and the decay of the pinched beam occurs at a shorter distance from the cathode. It is established that the ions of the cathode material Tin+ captured by the electron beam are accelerated up to an energy of  ⩽10 MeV, and the ion fluence reaches 1017 ion cm-2 in the pulse. These ions are effectively embedded into the lattice sites of the irradiated substrate (sapphire crystal), forming the luminescent areas of the micron scale.

Controlled Growth of Rubrene Nanowires by Eutectic Melt Crystallization

NASA Astrophysics Data System (ADS)

Chung, Jeyon; Hyon, Jinho; Park, Kyung-Sun; Cho, Boram; Baek, Jangmi; Kim, Jueun; Lee, Sang Uck; Sung, Myung Mo; Kang, Youngjong

2016-03-01

Organic semiconductors including rubrene, Alq3, copper phthalocyanine and pentacene are crystallized by the eutectic melt crystallization. Those organic semiconductors form good eutectic systems with the various volatile crystallizable additives such as benzoic acid, salicylic acid, naphthalene and 1,3,5-trichlorobenzene. Due to the formation of the eutectic system, organic semiconductors having originally high melting point (Tm > 300 °C) are melted and crystallized at low temperature (Te = 40.8-133 °C). The volatile crystallizable additives are easily removed by sublimation. For a model system using rubrene, single crystalline rubrene nanowires are prepared by the eutectic melt crystallization and the eutectic-melt-assisted nanoimpinting (EMAN) technique. It is demonstrated that crystal structure and the growth direction of rubrene can be controlled by using different volatile crystallizable additives. The field effect mobility of rubrene nanowires prepared using several different crystallizable additives are measured and compared.

Long-range Prethermal Time Crystals

NASA Astrophysics Data System (ADS)

Machado, Francisco; Meyer, Gregory D.; Else, Dominic; Olund, Christopher; Nayak, Chetan; Yao, Norman Y.

2017-04-01

Driven quantum systems have recently enabled the realization of a discrete time crystal - an intrinsically out-of-equilibrium phase of matter. One strategy to prevent the drive-induced, runaway heating of the time crystal is the presence of strong disorder leading to many-body localization (MBL). A more elegant, disorder-less approach is simply to work in the prethermal regime where time crystalline order can persist to exponentially long times. One key difference between prethermal and MBL time crystals is that the former is prohibited from existing in one dimensional systems with short-range interactions. In this work, we demonstrate that long-range interactions can stabilize a one dimensional prethermal time crystal. By numerically studying the pre-thermal regime, we find evidence for a phase transition out of the time crystal as a function of increasing energy density. Finally, generalizations of previous analytical bounds for the heating time-scale of driven quantum systems to long-range interactions will also be discussed.

Macromolecular Crystallization with Microfluidic Free-Interface Diffusion

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

Segelke, B

2005-02-24

Fluidigm released the Topaz 1.96 and 4.96 crystallization chips in the fall of 2004. Topaz 1.96 and 4.96 are the latest evolution of Fluidigm's microfluidics crystallization technologies that enable ultra low volume rapid screening for macromolecular crystallization. Topaz 1.96 and 4.96 are similar to each other but represent a major redesign of the Topaz system and have of substantially improved ease of automation and ease of use, improved efficiency and even further reduced amount of material needed. With the release of the new Topaz system, Fluidigm continues to set the standard in low volume crystallization screening which is having anmore » increasing impact in the field of structural genomics, and structural biology more generally. In to the future we are likely to see further optimization and increased utility of the Topaz crystallization system, but we are also likely to see further innovation and the emergence of competing technologies.« less

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

Ma, Xiang; Zhang, Shuai; Jiao, Fang

Two-step nucleation pathways in which disordered, amorphous, or dense liquid states precede appearance of crystalline phases have been reported for a wide range of materials, but the dynamics of such pathways are poorly understood. Moreover, whether these pathways are general features of crystallizing systems or a consequence of system-specific structural details that select for direct vs two-step processes is unknown. Using atomic force microscopy to directly observe crystallization of sequence-defined polymers, we show that crystallization pathways are indeed sequence dependent. When a short hydrophobic region is added to a sequence that directly forms crystalline particles, crystallization instead follows a two-stepmore » pathway that begins with creation of disordered clusters of 10-20 molecules and is characterized by highly non-linear crystallization kinetics in which clusters transform into ordered structures that then enter the growth phase. The results shed new light on non-classical crystallization mechanisms and have implications for design of self-assembling polymer systems.« less

High-efficency stable 213-nm generation for LASIK application

NASA Astrophysics Data System (ADS)

Wang, Zhenglin; Alameh, Kamal; Zheng, Rong

2005-01-01

213nm Solid-state laser technology provides an alternative method to replace toxic excimer laser in LASIK system. In this paper, we report a compact fifth harmonic generation system to generate high pulse energy 213nm laser from Q-switched Nd:YAG laser for LASIK application based on three stages harmonic generation procedures. A novel crystal housing was specifically designed to hold the three crystals with each crystal has independent, precise angular adjustment structure and automatic tuning control. The crystal temperature is well maintained at ~130°C to improve harmonic generation stability and crystal operation lifetime. An output pulse energy 35mJ is obtained at 213nm, corresponding to total conversion efficiency ~10% from 1064nm pump laser. In system verification tests, the 213nm output power drops less than 5% after 5 millions pulse shots and no significant damage appears in the crystals.

A preliminary investigation of cryogenic CO2 capture utilizing a reverse Brayton Cycle

NASA Astrophysics Data System (ADS)

Yuan, L. C.; Pfotenhauer, J. M.; Qiu, L. M.

2014-01-01

Utilizing CO2 capture and storage (CCS) technologies is a significant way to reduce carbon emissions from coal fired power plants. Cryogenic CO2 capture (CCC) is an innovative and promising CO2 capture technology, which has an apparent energy and environmental advantage compared to alternatives. A process of capturing CO2 from the flue gas of a coal-fired electrical power plant by cryogenically desublimating CO2 has been discussed and demonstrated theoretically. However, pressurizing the inlet flue gas to reduce the energy penalty for the cryogenic process will lead to a more complex system. In this paper, a modified CCC system utilizing a reverse Brayton Cycle is proposed, and the energy penalty of these two systems are compared theoretically.

40 CFR Table 2 to Subpart Oooo of... - Operating Limits if Using Add-On Control Devices and Capture System

Code of Federal Regulations, 2014 CFR

2014-07-01

... to Subpart OOOO of Part 63—Operating Limits if Using Add-On Control Devices and Capture System If you... 40 Protection of Environment 13 2014-07-01 2014-07-01 false Operating Limits if Using Add-On Control Devices and Capture System 2 Table 2 to Subpart OOOO of Part 63 Protection of Environment...

40 CFR Table 1 to Subpart Jjjj of... - Operating Limits if Using Add-On Control Devices and Capture System

Code of Federal Regulations, 2014 CFR

2014-07-01

...—Operating Limits if Using Add-On Control Devices and Capture System If you are required to comply with... 40 Protection of Environment 13 2014-07-01 2014-07-01 false Operating Limits if Using Add-On Control Devices and Capture System 1 Table 1 to Subpart JJJJ of Part 63 Protection of Environment...

40 CFR Table 1 to Subpart Ssss of... - Operating Limits if Using Add-on Control Devices and Capture System

Code of Federal Regulations, 2014 CFR

2014-07-01

...—Operating Limits if Using Add-on Control Devices and Capture System If you are required to comply with... 40 Protection of Environment 13 2014-07-01 2014-07-01 false Operating Limits if Using Add-on Control Devices and Capture System 1 Table 1 to Subpart SSSS of Part 63 Protection of Environment...

40 CFR Table 1 to Subpart IIIi of... - Operating Limits for Capture Systems and Add-On Control Devices

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 12 2010-07-01 2010-07-01 true Operating Limits for Capture Systems... 63—Operating Limits for Capture Systems and Add-On Control Devices If you are required to comply with operating limits by § 63.3093, you must comply with the applicable operating limits in the following table...

40 CFR Table 1 to Subpart Jjjj of... - Operating Limits if Using Add-On Control Devices and Capture System

Code of Federal Regulations, 2011 CFR

2011-07-01

... Limits if Using Add-On Control Devices and Capture System If you are required to comply with operating... 40 Protection of Environment 12 2011-07-01 2009-07-01 true Operating Limits if Using Add-On Control Devices and Capture System 1 Table 1 to Subpart JJJJ of Part 63 Protection of Environment...

40 CFR Table 1 to Subpart Jjjj of... - Operating Limits if Using Add-On Control Devices and Capture System

Code of Federal Regulations, 2012 CFR

2012-07-01

...—Operating Limits if Using Add-On Control Devices and Capture System If you are required to comply with... 40 Protection of Environment 13 2012-07-01 2012-07-01 false Operating Limits if Using Add-On Control Devices and Capture System 1 Table 1 to Subpart JJJJ of Part 63 Protection of Environment...

40 CFR Table 2 to Subpart Oooo of... - Operating Limits if Using Add-On Control Devices and Capture System

Code of Federal Regulations, 2013 CFR

2013-07-01

... to Subpart OOOO of Part 63—Operating Limits if Using Add-On Control Devices and Capture System If you... 40 Protection of Environment 13 2013-07-01 2012-07-01 true Operating Limits if Using Add-On Control Devices and Capture System 2 Table 2 to Subpart OOOO of Part 63 Protection of Environment...

40 CFR Table 1 to Subpart IIIi of... - Operating Limits for Capture Systems and Add-On Control Devices

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 12 2011-07-01 2009-07-01 true Operating Limits for Capture Systems... 63—Operating Limits for Capture Systems and Add-On Control Devices If you are required to comply with operating limits by § 63.3093, you must comply with the applicable operating limits in the following table...

40 CFR Table 1 to Subpart Ssss of... - Operating Limits if Using Add-on Control Devices and Capture System

Code of Federal Regulations, 2013 CFR

2013-07-01

...—Operating Limits if Using Add-on Control Devices and Capture System If you are required to comply with... 40 Protection of Environment 13 2013-07-01 2012-07-01 true Operating Limits if Using Add-on Control Devices and Capture System 1 Table 1 to Subpart SSSS of Part 63 Protection of Environment...

40 CFR Table 2 to Subpart Oooo of... - Operating Limits if Using Add-On Control Devices and Capture System

Code of Federal Regulations, 2012 CFR

2012-07-01

... to Subpart OOOO of Part 63—Operating Limits if Using Add-On Control Devices and Capture System If you... 40 Protection of Environment 13 2012-07-01 2012-07-01 false Operating Limits if Using Add-On Control Devices and Capture System 2 Table 2 to Subpart OOOO of Part 63 Protection of Environment...

40 CFR Table 2 to Subpart Oooo of... - Operating Limits if Using Add-On Control Devices and Capture System

Code of Federal Regulations, 2010 CFR

2010-07-01

... OOOO of Part 63—Operating Limits if Using Add-On Control Devices and Capture System If you are required... 40 Protection of Environment 12 2010-07-01 2010-07-01 true Operating Limits if Using Add-On Control Devices and Capture System 2 Table 2 to Subpart OOOO of Part 63 Protection of Environment...

40 CFR Table 1 to Subpart Ssss of... - Operating Limits if Using Add-on Control Devices and Capture System

Code of Federal Regulations, 2012 CFR

2012-07-01

...—Operating Limits if Using Add-on Control Devices and Capture System If you are required to comply with... 40 Protection of Environment 13 2012-07-01 2012-07-01 false Operating Limits if Using Add-on Control Devices and Capture System 1 Table 1 to Subpart SSSS of Part 63 Protection of Environment...

40 CFR Table 1 to Subpart IIIi of... - Operating Limits for Capture Systems and Add-On Control Devices

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 13 2013-07-01 2012-07-01 true Operating Limits for Capture Systems... Subpart IIII of Part 63—Operating Limits for Capture Systems and Add-On Control Devices If you are required to comply with operating limits by § 63.3093, you must comply with the applicable operating limits...

40 CFR Table 1 to Subpart IIIi of... - Operating Limits for Capture Systems and Add-On Control Devices

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 13 2012-07-01 2012-07-01 false Operating Limits for Capture Systems... Subpart IIII of Part 63—Operating Limits for Capture Systems and Add-On Control Devices If you are required to comply with operating limits by § 63.3093, you must comply with the applicable operating limits...

40 CFR Table 1 to Subpart Ssss of... - Operating Limits if Using Add-on Control Devices and Capture System

Code of Federal Regulations, 2011 CFR

2011-07-01

... Using Add-on Control Devices and Capture System If you are required to comply with operating limits by... 40 Protection of Environment 12 2011-07-01 2009-07-01 true Operating Limits if Using Add-on Control Devices and Capture System 1 Table 1 to Subpart SSSS of Part 63 Protection of Environment...

40 CFR Table 2 to Subpart Oooo of... - Operating Limits if Using Add-On Control Devices and Capture System

Code of Federal Regulations, 2011 CFR

2011-07-01

... OOOO of Part 63—Operating Limits if Using Add-On Control Devices and Capture System If you are required... 40 Protection of Environment 12 2011-07-01 2009-07-01 true Operating Limits if Using Add-On Control Devices and Capture System 2 Table 2 to Subpart OOOO of Part 63 Protection of Environment...

40 CFR Table 1 to Subpart Ssss of... - Operating Limits if Using Add-on Control Devices and Capture System

Code of Federal Regulations, 2010 CFR

2010-07-01

... Using Add-on Control Devices and Capture System If you are required to comply with operating limits by... 40 Protection of Environment 12 2010-07-01 2010-07-01 true Operating Limits if Using Add-on Control Devices and Capture System 1 Table 1 to Subpart SSSS of Part 63 Protection of Environment...

40 CFR Table 1 to Subpart Jjjj of... - Operating Limits if Using Add-On Control Devices and Capture System

Code of Federal Regulations, 2013 CFR

2013-07-01

...—Operating Limits if Using Add-On Control Devices and Capture System If you are required to comply with... 40 Protection of Environment 13 2013-07-01 2012-07-01 true Operating Limits if Using Add-On Control Devices and Capture System 1 Table 1 to Subpart JJJJ of Part 63 Protection of Environment...