REDBACK: an Open-Source Highly Scalable Simulation Tool for Rock Mechanics with Dissipative Feedbacks

NASA Astrophysics Data System (ADS)

Poulet, T.; Veveakis, M.; Paesold, M.; Regenauer-Lieb, K.

2014-12-01

Multiphysics modelling has become an indispensable tool for geoscientists to simulate the complex behaviours observed in their various fields of study where multiple processes are involved, including thermal, hydraulic, mechanical and chemical (THMC) laws. This modelling activity involves simulations that are computationally expensive and its soaring uptake is tightly linked to the increasing availability of supercomputing power and easy access to powerful nonlinear solvers such as PETSc (http://www.mcs.anl.gov/petsc/). The Multiphysics Object-Oriented Simulation Environment (MOOSE) is a finite-element, multiphysics framework (http://mooseframework.org) that can harness such computational power and allow scientists to develop easily some tightly-coupled fully implicit multiphysics simulations that run automatically in parallel on large clusters. This open-source framework provides a powerful tool to collaborate on numerical modelling activities and we are contributing to its development with REDBACK (https://github.com/pou036/redback), a module for Rock mEchanics with Dissipative feedBACKs. REDBACK builds on the tensor mechanics finite strain implementation available in MOOSE to provide a THMC simulator where the energetic formulation highlights the importance of all dissipative terms in the coupled system of equations. We show first applications of fully coupled dehydration reactions triggering episodic fluid transfer through shear zones (Alevizos et al, 2014). The dimensionless approach used allows focusing on the critical underlying variables which are driving the resulting behaviours observed and this tool is specifically designed to study material instabilities underpinning geological features like faulting, folding, boudinage, shearing, fracturing, etc. REDBACK provides a collaborative and educational tool which captures the physical and mathematical understanding of such material instabilities and provides an easy way to apply this knowledge to realistic scenarios, where the size and complexity of the geometries considered, along with the material parameters distributions, add as many sources of different instabilities. References: Alevizos, S., T. Poulet, and E. Veveakis (2014), J. Geophys. Res., 119, 4558-4582, doi:10.1002/2013JB010070.

(Project 13-5292) Correlating thermal and mechanical coupling based multiphysics behavior of nuclear materials through in-situ measurements

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

Tomar, Vikas

Irradiations and post characterization experiments were performed first on Zr samples. This step will help understand the effect of the 2.5% alloying elements on the behavior of Zircaloy-4 (PWR cladding material) when compared to pure Zr. Irradiation flux measurements and sample temperature calibrations were performed at different energies prior to the irradiation experiments. Irradiations were performed with two different energy regimes1: non-displacment energies and displacement energies. Time was also dedicated to optimize transmission electron microscopy (TEM) sample preparation conditions via electropolishing technique. This step is crucial to prepare TEM samples for the in-situ TEM/irradiation experiments (Year 2). In addition, Zircaloy-4more » samples are being prepared for irradiation, and a setup is built by one of our collaborators (Dr. Mert Efe) to prepare ultrafine (UF) and nanocrystalline (NC) Zircaloy-4 samples for comparison with the commercial Zircaloy-4 samples.« less

SHARP User Manual

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

Yu, Y. Q.; Shemon, E. R.; Thomas, J. W.

SHARP is an advanced modeling and simulation toolkit for the analysis of nuclear reactors. It is comprised of several components including physical modeling tools, tools to integrate the physics codes for multi-physics analyses, and a set of tools to couple the codes within the MOAB framework. Physics modules currently include the neutronics code PROTEUS, the thermal-hydraulics code Nek5000, and the structural mechanics code Diablo. This manual focuses on performing multi-physics calculations with the SHARP ToolKit. Manuals for the three individual physics modules are available with the SHARP distribution to help the user to either carry out the primary multi-physics calculationmore » with basic knowledge or perform further advanced development with in-depth knowledge of these codes. This manual provides step-by-step instructions on employing SHARP, including how to download and install the code, how to build the drivers for a test case, how to perform a calculation and how to visualize the results. Since SHARP has some specific library and environment dependencies, it is highly recommended that the user read this manual prior to installing SHARP. Verification tests cases are included to check proper installation of each module. It is suggested that the new user should first follow the step-by-step instructions provided for a test problem in this manual to understand the basic procedure of using SHARP before using SHARP for his/her own analysis. Both reference output and scripts are provided along with the test cases in order to verify correct installation and execution of the SHARP package. At the end of this manual, detailed instructions are provided on how to create a new test case so that user can perform novel multi-physics calculations with SHARP. Frequently asked questions are listed at the end of this manual to help the user to troubleshoot issues.« less

Multidimensional Multiphysics Simulation of TRISO Particle Fuel

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

J. D. Hales; R. L. Williamson; S. R. Novascone

2013-11-01

Multidimensional multiphysics analysis of TRISO-coated particle fuel using the BISON finite-element based nuclear fuels code is described. The governing equations and material models applicable to particle fuel and implemented in BISON are outlined. Code verification based on a recent IAEA benchmarking exercise is described, and excellant comparisons are reported. Multiple TRISO-coated particles of increasing geometric complexity are considered. It is shown that the code's ability to perform large-scale parallel computations permits application to complex 3D phenomena while very efficient solutions for either 1D spherically symmetric or 2D axisymmetric geometries are straightforward. Additionally, the flexibility to easily include new physical andmore » material models and uncomplicated ability to couple to lower length scale simulations makes BISON a powerful tool for simulation of coated-particle fuel. Future code development activities and potential applications are identified.« less

CFD Multiphysics Tool

NASA Technical Reports Server (NTRS)

Perrell, Eric R.

2005-01-01

The recent bold initiatives to expand the human presence in space require innovative approaches to the design of propulsion systems whose underlying technology is not yet mature. The space propulsion community has identified a number of candidate concepts. A short list includes solar sails, high-energy-density chemical propellants, electric and electromagnetic accelerators, solar-thermal and nuclear-thermal expanders. For each of these, the underlying physics are relatively well understood. One could easily cite authoritative texts, addressing both the governing equations, and practical solution methods for, e.g. electromagnetic fields, heat transfer, radiation, thermophysics, structural dynamics, particulate kinematics, nuclear energy, power conversion, and fluid dynamics. One could also easily cite scholarly works in which complete equation sets for any one of these physical processes have been accurately solved relative to complex engineered systems. The Advanced Concepts and Analysis Office (ACAO), Space Transportation Directorate, NASA Marshall Space Flight Center, has recently released the first alpha version of a set of computer utilities for performing the applicable physical analyses relative to candidate deep-space propulsion systems such as those listed above. PARSEC, Preliminary Analysis of Revolutionary in-Space Engineering Concepts, enables rapid iterative calculations using several physics tools developed in-house. A complete cycle of the entire tool set takes about twenty minutes. PARSEC is a level-zero/level-one design tool. For PARSEC s proof-of-concept, and preliminary design decision-making, assumptions that significantly simplify the governing equation sets are necessary. To proceed to level-two, one wishes to retain modeling of the underlying physics as close as practical to known applicable first principles. This report describes results of collaboration between ACAO, and Embry-Riddle Aeronautical University (ERAU), to begin building a set of level-two design tools for PARSEC. The "CFD Multiphysics Tool" will be the propulsive element of the tool set. The name acknowledges that space propulsion performance assessment is primarily a fluid mechanics problem. At the core of the CFD Multiphysics Tool is an open-source CFD code, HYP, under development at ERAU. ERAU is renowned for its undergraduate degree program in Aerospace Engineering the largest in the nation. The strength of the program is its applications-oriented curriculum, which culminates in one of three two-course Engineering Design sequences: Aerospace Propulsion, Spacecraft, or Aircraft. This same philosophy applies to the HYP Project, albeit with fluid physics modeling commensurate with graduate research. HYP s purpose, like the Multiphysics Tool s, is to enable calculations of real (three-dimensional; geometrically complex; intended for hardware development) applications of high speed and propulsive fluid flows.

An approach for coupled-code multiphysics core simulations from a common input

DOE PAGES

Schmidt, Rodney; Belcourt, Kenneth; Hooper, Russell; ...

2014-12-10

This study describes an approach for coupled-code multiphysics reactor core simulations that is being developed by the Virtual Environment for Reactor Applications (VERA) project in the Consortium for Advanced Simulation of Light-Water Reactors (CASL). In this approach a user creates a single problem description, called the “VERAIn” common input file, to define and setup the desired coupled-code reactor core simulation. A preprocessing step accepts the VERAIn file and generates a set of fully consistent input files for the different physics codes being coupled. The problem is then solved using a single-executable coupled-code simulation tool applicable to the problem, which ismore » built using VERA infrastructure software tools and the set of physics codes required for the problem of interest. The approach is demonstrated by performing an eigenvalue and power distribution calculation of a typical three-dimensional 17 × 17 assembly with thermal–hydraulic and fuel temperature feedback. All neutronics aspects of the problem (cross-section calculation, neutron transport, power release) are solved using the Insilico code suite and are fully coupled to a thermal–hydraulic analysis calculated by the Cobra-TF (CTF) code. The single-executable coupled-code (Insilico-CTF) simulation tool is created using several VERA tools, including LIME (Lightweight Integrating Multiphysics Environment for coupling codes), DTK (Data Transfer Kit), Trilinos, and TriBITS. Parallel calculations are performed on the Titan supercomputer at Oak Ridge National Laboratory using 1156 cores, and a synopsis of the solution results and code performance is presented. Finally, ongoing development of this approach is also briefly described.« less

VERAView

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

Lee, Ronald W.; Collins, Benjamin S.; Godfrey, Andrew T.

2016-12-09

In order to support engineering analysis of Virtual Environment for Reactor Analysis (VERA) model results, the Consortium for Advanced Simulation of Light Water Reactors (CASL) needs a tool that provides visualizations of HDF5 files that adhere to the VERAOUT specification. VERAView provides an interactive graphical interface for the visualization and engineering analyses of output data from VERA. The Python-based software provides instantaneous 2D and 3D images, 1D plots, and alphanumeric data from VERA multi-physics simulations.

FY17 Status Report on NEAMS Neutronics Activities

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

Lee, C. H.; Jung, Y. S.; Smith, M. A.

2017-09-30

Under the U.S. DOE NEAMS program, the high-fidelity neutronics code system has been developed to support the multiphysics modeling and simulation capability named SHARP. The neutronics code system includes the high-fidelity neutronics code PROTEUS, the cross section library and preprocessing tools, the multigroup cross section generation code MC2-3, the in-house meshing generation tool, the perturbation and sensitivity analysis code PERSENT, and post-processing tools. The main objectives of the NEAMS neutronics activities in FY17 are to continue development of an advanced nodal solver in PROTEUS for use in nuclear reactor design and analysis projects, implement a simplified sub-channel based thermal-hydraulic (T/H)more » capability into PROTEUS to efficiently compute the thermal feedback, improve the performance of PROTEUS-MOCEX using numerical acceleration and code optimization, improve the cross section generation tools including MC2-3, and continue to perform verification and validation tests for PROTEUS.« less

An agent-based model of leukocyte transendothelial migration during atherogenesis.

PubMed

Bhui, Rita; Hayenga, Heather N

2017-05-01

A vast amount of work has been dedicated to the effects of hemodynamics and cytokines on leukocyte adhesion and trans-endothelial migration (TEM) and subsequent accumulation of leukocyte-derived foam cells in the artery wall. However, a comprehensive mechanobiological model to capture these spatiotemporal events and predict the growth and remodeling of an atherosclerotic artery is still lacking. Here, we present a multiscale model of leukocyte TEM and plaque evolution in the left anterior descending (LAD) coronary artery. The approach integrates cellular behaviors via agent-based modeling (ABM) and hemodynamic effects via computational fluid dynamics (CFD). In this computational framework, the ABM implements the diffusion kinetics of key biological proteins, namely Low Density Lipoprotein (LDL), Tissue Necrosis Factor alpha (TNF-α), Interlukin-10 (IL-10) and Interlukin-1 beta (IL-1β), to predict chemotactic driven leukocyte migration into and within the artery wall. The ABM also considers wall shear stress (WSS) dependent leukocyte TEM and compensatory arterial remodeling obeying Glagov's phenomenon. Interestingly, using fully developed steady blood flow does not result in a representative number of leukocyte TEM as compared to pulsatile flow, whereas passing WSS at peak systole of the pulsatile flow waveform does. Moreover, using the model, we have found leukocyte TEM increases monotonically with decreases in luminal volume. At critical plaque shapes the WSS changes rapidly resulting in sudden increases in leukocyte TEM suggesting lumen volumes that will give rise to rapid plaque growth rates if left untreated. Overall this multi-scale and multi-physics approach appropriately captures and integrates the spatiotemporal events occurring at the cellular level in order to predict leukocyte transmigration and plaque evolution.

An agent-based model of leukocyte transendothelial migration during atherogenesis

PubMed Central

Bhui, Rita; Hayenga, Heather N.

2017-01-01

A vast amount of work has been dedicated to the effects of hemodynamics and cytokines on leukocyte adhesion and trans-endothelial migration (TEM) and subsequent accumulation of leukocyte-derived foam cells in the artery wall. However, a comprehensive mechanobiological model to capture these spatiotemporal events and predict the growth and remodeling of an atherosclerotic artery is still lacking. Here, we present a multiscale model of leukocyte TEM and plaque evolution in the left anterior descending (LAD) coronary artery. The approach integrates cellular behaviors via agent-based modeling (ABM) and hemodynamic effects via computational fluid dynamics (CFD). In this computational framework, the ABM implements the diffusion kinetics of key biological proteins, namely Low Density Lipoprotein (LDL), Tissue Necrosis Factor alpha (TNF-α), Interlukin-10 (IL-10) and Interlukin-1 beta (IL-1β), to predict chemotactic driven leukocyte migration into and within the artery wall. The ABM also considers wall shear stress (WSS) dependent leukocyte TEM and compensatory arterial remodeling obeying Glagov’s phenomenon. Interestingly, using fully developed steady blood flow does not result in a representative number of leukocyte TEM as compared to pulsatile flow, whereas passing WSS at peak systole of the pulsatile flow waveform does. Moreover, using the model, we have found leukocyte TEM increases monotonically with decreases in luminal volume. At critical plaque shapes the WSS changes rapidly resulting in sudden increases in leukocyte TEM suggesting lumen volumes that will give rise to rapid plaque growth rates if left untreated. Overall this multi-scale and multi-physics approach appropriately captures and integrates the spatiotemporal events occurring at the cellular level in order to predict leukocyte transmigration and plaque evolution. PMID:28542193

Investigating Darcy-scale assumptions by means of a multiphysics algorithm

NASA Astrophysics Data System (ADS)

Tomin, Pavel; Lunati, Ivan

2016-09-01

Multiphysics (or hybrid) algorithms, which couple Darcy and pore-scale descriptions of flow through porous media in a single numerical framework, are usually employed to decrease the computational cost of full pore-scale simulations or to increase the accuracy of pure Darcy-scale simulations when a simple macroscopic description breaks down. Despite the massive increase in available computational power, the application of these techniques remains limited to core-size problems and upscaling remains crucial for practical large-scale applications. In this context, the Hybrid Multiscale Finite Volume (HMsFV) method, which constructs the macroscopic (Darcy-scale) problem directly by numerical averaging of pore-scale flow, offers not only a flexible framework to efficiently deal with multiphysics problems, but also a tool to investigate the assumptions used to derive macroscopic models and to better understand the relationship between pore-scale quantities and the corresponding macroscale variables. Indeed, by direct comparison of the multiphysics solution with a reference pore-scale simulation, we can assess the validity of the closure assumptions inherent to the multiphysics algorithm and infer the consequences for macroscopic models at the Darcy scale. We show that the definition of the scale ratio based on the geometric properties of the porous medium is well justified only for single-phase flow, whereas in case of unstable multiphase flow the nonlinear interplay between different forces creates complex fluid patterns characterized by new spatial scales, which emerge dynamically and weaken the scale-separation assumption. In general, the multiphysics solution proves very robust even when the characteristic size of the fluid-distribution patterns is comparable with the observation length, provided that all relevant physical processes affecting the fluid distribution are considered. This suggests that macroscopic constitutive relationships (e.g., the relative permeability) should account for the fact that they depend not only on the saturation but also on the actual characteristics of the fluid distribution.

A multiphysics and multiscale software environment for modeling astrophysical systems

NASA Astrophysics Data System (ADS)

Portegies Zwart, Simon; McMillan, Steve; Harfst, Stefan; Groen, Derek; Fujii, Michiko; Nualláin, Breanndán Ó.; Glebbeek, Evert; Heggie, Douglas; Lombardi, James; Hut, Piet; Angelou, Vangelis; Banerjee, Sambaran; Belkus, Houria; Fragos, Tassos; Fregeau, John; Gaburov, Evghenii; Izzard, Rob; Jurić, Mario; Justham, Stephen; Sottoriva, Andrea; Teuben, Peter; van Bever, Joris; Yaron, Ofer; Zemp, Marcel

2009-05-01

We present MUSE, a software framework for combining existing computational tools for different astrophysical domains into a single multiphysics, multiscale application. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for studying generalized stellar systems. We have now reached a "Noah's Ark" milestone, with (at least) two available numerical solvers for each domain. MUSE can treat multiscale and multiphysics systems in which the time- and size-scales are well separated, like simulating the evolution of planetary systems, small stellar associations, dense stellar clusters, galaxies and galactic nuclei. In this paper we describe three examples calculated using MUSE: the merger of two galaxies, the merger of two evolving stars, and a hybrid N-body simulation. In addition, we demonstrate an implementation of MUSE on a distributed computer which may also include special-purpose hardware, such as GRAPEs or GPUs, to accelerate computations. The current MUSE code base is publicly available as open source at http://muse.li.

Performance Characterization and Optimization of Microgrid-Based Energy Generation and Storage Technologies

DTIC Science & Technology

2012-01-01

A. Rufer, “Multiphysics and energetic modeling of a vanadium redox flow battery ,” in Proc. 2008 IEEE International Conference on Sustainable...p. 81. [11] K.W. Knehr and E.C. Kumbur, "Open circuit voltage of vanadium redox flow batteries : Discrepancy between models and experiments...Blanc and A. Rufer, “Multiphysics and energetic modeling of a vanadium redox flow battery ,” in Proc. 2008 IEEE International Conference on Sustainable

FEM and Multiphysics Applications at NASA/GSFC

NASA Technical Reports Server (NTRS)

Loughlin, James

2004-01-01

FEM software available to the Mechanical Systems Analysis and Simulation Branch at Goddard Space Flight Center (GSFC) include: 1) MSC/Nastran; 2) Abaqus; 3) Ansys/Multiphysics; 4) COSMOS/M; 5) 'Home-grown' programs; 6) Pre/post processors such as Patran and FEMAP. This viewgraph presentation provides additional information on MSC/Nastran and Ansys/Multiphysics, and includes screen shots of analyzed equipment, including the Wilkinson Microwave Anistropy Probe, a micro-mirror, a MEMS tunable filter, and a micro-shutter array. The presentation also includes information on the verification of results.

ToTem: a tool for variant calling pipeline optimization.

PubMed

Tom, Nikola; Tom, Ondrej; Malcikova, Jitka; Pavlova, Sarka; Kubesova, Blanka; Rausch, Tobias; Kolarik, Miroslav; Benes, Vladimir; Bystry, Vojtech; Pospisilova, Sarka

2018-06-26

High-throughput bioinformatics analyses of next generation sequencing (NGS) data often require challenging pipeline optimization. The key problem is choosing appropriate tools and selecting the best parameters for optimal precision and recall. Here we introduce ToTem, a tool for automated pipeline optimization. ToTem is a stand-alone web application with a comprehensive graphical user interface (GUI). ToTem is written in Java and PHP with an underlying connection to a MySQL database. Its primary role is to automatically generate, execute and benchmark different variant calling pipeline settings. Our tool allows an analysis to be started from any level of the process and with the possibility of plugging almost any tool or code. To prevent an over-fitting of pipeline parameters, ToTem ensures the reproducibility of these by using cross validation techniques that penalize the final precision, recall and F-measure. The results are interpreted as interactive graphs and tables allowing an optimal pipeline to be selected, based on the user's priorities. Using ToTem, we were able to optimize somatic variant calling from ultra-deep targeted gene sequencing (TGS) data and germline variant detection in whole genome sequencing (WGS) data. ToTem is a tool for automated pipeline optimization which is freely available as a web application at  https://totem.software .

Evolution of TEM-type enzymes: biochemical and genetic characterization of two new complex mutant TEM enzymes, TEM-151 and TEM-152, from a single patient.

PubMed

Robin, Frédéric; Delmas, Julien; Schweitzer, Cédric; Tournilhac, Olivier; Lesens, Olivier; Chanal, Catherine; Bonnet, Richard

2007-04-01

Two clinical isolates of Escherichia coli, CF1179 and CF1295, were isolated from a patient hospitalized in the hematology unit of the University Hospital of Clermont-Ferrand, Clermont-Ferrand, France. They were resistant to penicillin-clavulanate combinations and to ceftazidime. The double-disk synergy test was positive only for isolate CF1179. Molecular comparison of the isolates showed that they were clonally related. E. coli recombinant strains exhibiting the resistance phenotype of the clinical strains were obtained by cloning. The clones corresponding to strains CF1179 and CF1295 produced TEM-type beta-lactamases with pI values of 5.7 and 5.3, respectively. Sequencing analysis revealed two novel blaTEM genes encoding closely related complex mutant TEM enzymes, designated TEM-151 (pI 5.3) and TEM-152 (pI 5.7). These two genes also harbored a new promoter region which presented a 9-bp deletion. The two novel beta-lactamases differed from the parental enzyme, TEM-1, by the substitution Arg164His, previously observed in extended-spectrum beta-lactamases (ESBLs), and by the substitutions Met69Val and Asn276Asp, previously observed in the inhibitor-resistant penicillinase TEM-36/IRT-7. They differed by two amino acid substitutions: TEM-152 harbored a Glu240Lys ESBL-type substitution and TEM-151 had an Ala284Gly substitution. Functional analysis of TEM-151 and TEM-152 showed that both enzymes had hydrolytic activity against ceftazidime (kcat, 5 and 16 s-1, respectively). TEM-152 was more resistant than TEM-151 to the inhibitor clavulanic acid (50% inhibitory concentrations, 1 versus 0.17 microM). These results confirm the evolution of TEM-type enzymes toward complex enzymes harboring the two kinds of substitutions which confer an extended spectrum of action against beta-lactam antibiotics and resistance to inhibitors.

Optimization of coupled multiphysics methodology for safety analysis of pebble bed modular reactor

NASA Astrophysics Data System (ADS)

Mkhabela, Peter Tshepo

The research conducted within the framework of this PhD thesis is devoted to the high-fidelity multi-physics (based on neutronics/thermal-hydraulics coupling) analysis of Pebble Bed Modular Reactor (PBMR), which is a High Temperature Reactor (HTR). The Next Generation Nuclear Plant (NGNP) will be a HTR design. The core design and safety analysis methods are considerably less developed and mature for HTR analysis than those currently used for Light Water Reactors (LWRs). Compared to LWRs, the HTR transient analysis is more demanding since it requires proper treatment of both slower and much longer transients (of time scale in hours and days) and fast and short transients (of time scale in minutes and seconds). There is limited operation and experimental data available for HTRs for validation of coupled multi-physics methodologies. This PhD work developed and verified reliable high fidelity coupled multi-physics models subsequently implemented in robust, efficient, and accurate computational tools to analyse the neutronics and thermal-hydraulic behaviour for design optimization and safety evaluation of PBMR concept The study provided a contribution to a greater accuracy of neutronics calculations by including the feedback from thermal hydraulics driven temperature calculation and various multi-physics effects that can influence it. Consideration of the feedback due to the influence of leakage was taken into account by development and implementation of improved buckling feedback models. Modifications were made in the calculation procedure to ensure that the xenon depletion models were accurate for proper interpolation from cross section tables. To achieve this, the NEM/THERMIX coupled code system was developed to create the system that is efficient and stable over the duration of transient calculations that last over several tens of hours. Another achievement of the PhD thesis was development and demonstration of full-physics, three-dimensional safety analysis methodology for the PBMR to provide reference solutions. Investigation of different aspects of the coupled methodology and development of efficient kinetics treatment for the PBMR were carried out, which accounts for all feedback phenomena in an efficient manner. The OECD/NEA PBMR-400 coupled code benchmark was used as a test matrix for the proposed investigations. The integrated thermal-hydraulics and neutronics (multi-physics) methods were extended to enable modeling of a wider range of transients pertinent to the PBMR. First, the effect of the spatial mapping schemes (spatial coupling) was studied and quantified for different types of transients, which resulted in implementation of improved mapping methodology based on user defined criteria. The second aspect that was studied and optimized is the temporal coupling and meshing schemes between the neutronics and thermal-hydraulics time step selection algorithms. The coupled code convergence was achieved supplemented by application of methods to accelerate it. Finally, the modeling of all feedback phenomena in PBMRs was investigated and a novel treatment of cross-section dependencies was introduced for improving the representation of cross-section variations. The added benefit was that in the process of studying and improving the coupled multi-physics methodology more insight was gained into the physics and dynamics of PBMR, which will help also to optimize the PBMR design and improve its safety. One unique contribution of the PhD research is the investigation of the importance of the correct representation of the three-dimensional (3-D) effects in the PBMR analysis. The performed studies demonstrated that explicit 3-D modeling of control rod movement is superior and removes the errors associated with the grey curtain (2-D homogenized) approximation.

Pika: A snow science simulation tool built using the open-source framework MOOSE

NASA Astrophysics Data System (ADS)

Slaughter, A.; Johnson, M.

2017-12-01

The Department of Energy (DOE) is currently investing millions of dollars annually into various modeling and simulation tools for all aspects of nuclear energy. An important part of this effort includes developing applications based on the open-source Multiphysics Object Oriented Simulation Environment (MOOSE; mooseframework.org) from Idaho National Laboratory (INL).Thanks to the efforts of the DOE and outside collaborators, MOOSE currently contains a large set of physics modules, including phase-field, level set, heat conduction, tensor mechanics, Navier-Stokes, fracture and crack propagation (via the extended finite-element method), flow in porous media, and others. The heat conduction, tensor mechanics, and phase-field modules, in particular, are well-suited for snow science problems. Pika--an open-source MOOSE-based application--is capable of simulating both 3D, coupled nonlinear continuum heat transfer and large-deformation mechanics applications (such as settlement) and phase-field based micro-structure applications. Additionally, these types of problems may be coupled tightly in a single solve or across length and time scales using a loosely coupled Picard iteration approach. In addition to the wide range of physics capabilities, MOOSE-based applications also inherit an extensible testing framework, graphical user interface, and documentation system; tools that allow MOOSE and other applications to adhere to nuclear software quality standards. The snow science community can learn from the nuclear industry and harness the existing effort to build simulation tools that are open, modular, and share a common framework. In particular, MOOSE-based multiphysics solvers are inherently parallel, dimension agnostic, adaptive in time and space, fully coupled, and capable of interacting with other applications. The snow science community should build on existing tools to enable collaboration between researchers and practitioners throughout the world, and advance the state-of-the-art in line with other scientific research efforts.

Automated SEM and TEM sample preparation applied to copper/low k materials

NASA Astrophysics Data System (ADS)

Reyes, R.; Shaapur, F.; Griffiths, D.; Diebold, A. C.; Foran, B.; Raz, E.

2001-01-01

We describe the use of automated microcleaving for preparation of both SEM and TEM samples as done by SELA's new MC500 and TEMstation tools. The MC500 is an automated microcleaving tool that is capable of producing cleaves with 0.25 μm accuracy resulting in SEM-ready samples. The TEMstation is capable of taking a sample output from the MC500 (or from SELA's earlier MC200 tool) and producing a FIB ready slice of 25±5 μm, mounted on a TEM-washer and ready for FIB thinning to electron transparency for TEM analysis. The materials selected for the tool set evaluation mainly included the Cu/TaN/HOSP low-k system. The paper is divided into three sections, experimental approach, SEM preparation and analysis of HOSP low-k, and TEM preparation and analysis of Cu/TaN/HOSP low-k samples. For the samples discussed, data is presented to show the quality of preparation provided by these new automated tools.

Transanal Endoscopic Microsurgery with or without Completion Total Mesorectal Excision for T2 and T3 Rectal Carcinoma.

PubMed

Leijtens, Jeroen W A; Koedam, Thomas W A; Borstlap, Wernard A A; Maas, Monique; Doornebosch, Pascal G; Karsten, Tom M; Derksen, Eric J; Stassen, Laurents P S; Rosman, Camiel; de Graaf, Eelco J R; Bremers, André J A; Heemskerk, Jeroen; Beets, Geerard L; Tuynman, Jurriaan B; Rademakers, Kevin L J

2018-05-23

Transanal endoscopic microsurgery (TEM) is used for the resection of large rectal adenomas and well or moderately differentiated T1 carcinomas. Due to difficulty in preoperative staging, final pathology may reveal a carcinoma not suitable for TEM. Although completion total mesorectal excision is considered standard of care in T2 or more invasive carcinomas, this completion surgery is not always performed. The purpose of this article is to evaluate the outcome of patients after TEM-only, when completion surgery would be indicated. In this retrospective multicenter, observational cohort study, outcome after TEM-only (n = 41) and completion surgery (n = 40) following TEM for a pT2-3 rectal adenocarcinoma was compared. Median follow-up was 29 months for the TEM-only group and 31 months for the completion surgery group. Local recurrence rate was 35 and 11% for the TEM-only and completion surgery groups respectively. Distant metastasis occurred in 16% of the patients in both groups. The 3-year overall survival was 63% in the TEM-only group and 91% in the completion surgery group respectively. Three-year disease-specific survival was 91 versus 93% respectively. Although local recurrence after TEM-only for pT2-3 rectal cancer is worse compared to the recurrence that occurs after completion surgery, disease-specific survival is comparable between both groups. The lower unadjusted overall survival in the TEM-only group indicates that TEM-only may be a valid alternative in older and frail patients, especially when high morbidity of completion surgery is taken into consideration. Nevertheless, completion surgery should always be advised when curation is intended. © 2018 The Author(s) Published by S. Karger AG, Basel.

The Application of COMSOL Multiphysics Package on the Modelling of Complex 3-D Lithospheric Electrical Resistivity Structures - A Case Study from the Proterozoic Orogenic belt within the North China Craton

NASA Astrophysics Data System (ADS)

Guo, L.; Yin, Y.; Deng, M.; Guo, L.; Yan, J.

2017-12-01

At present, most magnetotelluric (MT) forward modelling and inversion codes are based on finite difference method. But its structured mesh gridding cannot be well adapted for the conditions with arbitrary topography or complex tectonic structures. By contrast, the finite element method is more accurate in calculating complex and irregular 3-D region and has lower requirement of function smoothness. However, the complexity of mesh gridding and limitation of computer capacity has been affecting its application. COMSOL Multiphysics is a cross-platform finite element analysis, solver and multiphysics full-coupling simulation software. It achieves highly accurate numerical simulations with high computational performance and outstanding multi-field bi-directional coupling analysis capability. In addition, its AC/DC and RF module can be used to easily calculate the electromagnetic responses of complex geological structures. Using the adaptive unstructured grid, the calculation is much faster. In order to improve the discretization technique of computing area, we use the combination of Matlab and COMSOL Multiphysics to establish a general procedure for calculating the MT responses for arbitrary resistivity models. The calculated responses include the surface electric and magnetic field components, impedance components, magnetic transfer functions and phase tensors. Then, the reliability of this procedure is certificated by 1-D, 2-D and 3-D and anisotropic forward modeling tests. Finally, we establish the 3-D lithospheric resistivity model for the Proterozoic Wutai-Hengshan Mts. within the North China Craton by fitting the real MT data collected there. The reliability of the model is also verified by induced vectors and phase tensors. Our model shows more details and better resolution, compared with the previously published 3-D model based on the finite difference method. In conclusion, COMSOL Multiphysics package is suitable for modeling the 3-D lithospheric resistivity structures under complex tectonic deformation backgrounds, which could be a good complement to the existing finite-difference inversion algorithms.

Case studies on optimization problems in MATLAB and COMSOL multiphysics by means of the livelink

NASA Astrophysics Data System (ADS)

Ozana, Stepan; Pies, Martin; Docekal, Tomas

2016-06-01

LiveLink for COMSOL is a tool that integrates COMSOL Multiphysics with MATLAB to extend one's modeling with scripting programming in the MATLAB environment. It allows user to utilize the full power of MATLAB and its toolboxes in preprocessing, model manipulation, and post processing. At first, the head script launches COMSOL with MATLAB and defines initial value of all parameters, refers to the objective function J described in the objective function and creates and runs the defined optimization task. Once the task is launches, the COMSOL model is being called in the iteration loop (from MATLAB environment by use of API interface), changing defined optimization parameters so that the objective function is minimized, using fmincon function to find a local or global minimum of constrained linear or nonlinear multivariable function. Once the minimum is found, it returns exit flag, terminates optimization and returns the optimized values of the parameters. The cooperation with MATLAB via LiveLink enhances a powerful computational environment with complex multiphysics simulations. The paper will introduce using of the LiveLink for COMSOL for chosen case studies in the field of technical cybernetics and bioengineering.

Three-dimensional fuel pin model validation by prediction of hydrogen distribution in cladding and comparison with experiment

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

Aly, A.; Avramova, Maria; Ivanov, Kostadin

To correctly describe and predict this hydrogen distribution there is a need for multi-physics coupling to provide accurate three-dimensional azimuthal, radial, and axial temperature distributions in the cladding. Coupled high-fidelity reactor-physics codes with a sub-channel code as well as with a computational fluid dynamics (CFD) tool have been used to calculate detailed temperature distributions. These high-fidelity coupled neutronics/thermal-hydraulics code systems are coupled further with the fuel-performance BISON code with a kernel (module) for hydrogen. Both hydrogen migration and precipitation/dissolution are included in the model. Results from this multi-physics analysis is validated utilizing calculations of hydrogen distribution using models informed bymore » data from hydrogen experiments and PIE data.« less

Development of FAST.Farm: A New Multiphysics Engineering Tool for Wind Farm Design and Analysis: Preprint

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

Jonkman, Jason; Annoni, Jennifer; Hayman, Greg

2017-01-01

This paper presents the development of FAST.Farm, a new multiphysics tool applicable to engineering problems in research and industry involving wind farm performance and cost optimization that is needed to address the current underperformance, failures, and expenses plaguing the wind industry. Achieving wind cost-of-energy targets - which requires improvements in wind farm performance and reliability, together with reduced uncertainty and expenditures - has been eluded by the complicated nature of the wind farm design problem, especially the sophisticated interaction between atmospheric phenomena and wake dynamics and array effects. FAST.Farm aims to balance the need for accurate modeling of the relevantmore » physics for predicting power performance and loads while maintaining low computational cost to support a highly iterative and probabilistic design process and system-wide optimization. FAST.Farm makes use of FAST to model the aero-hydro-servo-elastics of distinct turbines in the wind farm, and it is based on some of the principles of the Dynamic Wake Meandering (DWM) model, but avoids many of the limitations of existing DWM implementations.« less

A Multiphysics and Multiscale Software Environment for Modeling Astrophysical Systems

NASA Astrophysics Data System (ADS)

Portegies Zwart, Simon; McMillan, Steve; O'Nualláin, Breanndán; Heggie, Douglas; Lombardi, James; Hut, Piet; Banerjee, Sambaran; Belkus, Houria; Fragos, Tassos; Fregeau, John; Fuji, Michiko; Gaburov, Evghenii; Glebbeek, Evert; Groen, Derek; Harfst, Stefan; Izzard, Rob; Jurić, Mario; Justham, Stephen; Teuben, Peter; van Bever, Joris; Yaron, Ofer; Zemp, Marcel

We present MUSE, a software framework for tying together existing computational tools for different astrophysical domains into a single multiphysics, multiscale workload. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly-coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for a generalized stellar systems workload. MUSE has now reached a "Noah's Ark" milestone, with two available numerical solvers for each domain. MUSE can treat small stellar associations, galaxies and everything in between, including planetary systems, dense stellar clusters and galactic nuclei. Here we demonstrate an examples calculated with MUSE: the merger of two galaxies. In addition we demonstrate the working of MUSE on a distributed computer. The current MUSE code base is publicly available as open source at http://muse.li.

Multiphysics Object Oriented Simulation Environment

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

The Multiphysics Object Oriented Simulation Environment (MOOSE) software library developed at Idaho National Laboratory is a tool. MOOSE, like other tools, doesn't actually complete a task. Instead, MOOSE seeks to reduce the effort required to create engineering simulation applications. MOOSE itself is a software library: a blank canvas upon which you write equations and then MOOSE can help you solve them. MOOSE is comparable to a spreadsheet application. A spreadsheet, by itself, doesn't do anything. Only once equations are entered into it will a spreadsheet application compute anything. Such is the same for MOOSE. An engineer or scientist can utilizemore » the equation solvers within MOOSE to solve equations related to their area of study. For instance, a geomechanical scientist can input equations related to water flow in underground reservoirs and MOOSE can solve those equations to give the scientist an idea of how water could move over time. An engineer might input equations related to the forces in steel beams in order to understand the load bearing capacity of a bridge. Because MOOSE is a blank canvas it can be useful in many scientific and engineering pursuits.« less

Integral Full Core Multi-Physics PWR Benchmark with Measured Data

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

Forget, Benoit; Smith, Kord; Kumar, Shikhar

In recent years, the importance of modeling and simulation has been highlighted extensively in the DOE research portfolio with concrete examples in nuclear engineering with the CASL and NEAMS programs. These research efforts and similar efforts worldwide aim at the development of high-fidelity multi-physics analysis tools for the simulation of current and next-generation nuclear power reactors. Like all analysis tools, verification and validation is essential to guarantee proper functioning of the software and methods employed. The current approach relies mainly on the validation of single physic phenomena (e.g. critical experiment, flow loops, etc.) and there is a lack of relevantmore » multiphysics benchmark measurements that are necessary to validate high-fidelity methods being developed today. This work introduces a new multi-cycle full-core Pressurized Water Reactor (PWR) depletion benchmark based on two operational cycles of a commercial nuclear power plant that provides a detailed description of fuel assemblies, burnable absorbers, in-core fission detectors, core loading and re-loading patterns. This benchmark enables analysts to develop extremely detailed reactor core models that can be used for testing and validation of coupled neutron transport, thermal-hydraulics, and fuel isotopic depletion. The benchmark also provides measured reactor data for Hot Zero Power (HZP) physics tests, boron letdown curves, and three-dimensional in-core flux maps from 58 instrumented assemblies. The benchmark description is now available online and has been used by many groups. However, much work remains to be done on the quantification of uncertainties and modeling sensitivities. This work aims to address these deficiencies and make this benchmark a true non-proprietary international benchmark for the validation of high-fidelity tools. This report details the BEAVRS uncertainty quantification for the first two cycle of operations and serves as the final report of the project.« less

Multiscale and Multiphysics Modeling of Additive Manufacturing of Advanced Materials

NASA Technical Reports Server (NTRS)

Liou, Frank; Newkirk, Joseph; Fan, Zhiqiang; Sparks, Todd; Chen, Xueyang; Fletcher, Kenneth; Zhang, Jingwei; Zhang, Yunlu; Kumar, Kannan Suresh; Karnati, Sreekar

2015-01-01

The objective of this proposed project is to research and develop a prediction tool for advanced additive manufacturing (AAM) processes for advanced materials and develop experimental methods to provide fundamental properties and establish validation data. Aircraft structures and engines demand materials that are stronger, useable at much higher temperatures, provide less acoustic transmission, and enable more aeroelastic tailoring than those currently used. Significant improvements in properties can only be achieved by processing the materials under nonequilibrium conditions, such as AAM processes. AAM processes encompass a class of processes that use a focused heat source to create a melt pool on a substrate. Examples include Electron Beam Freeform Fabrication and Direct Metal Deposition. These types of additive processes enable fabrication of parts directly from CAD drawings. To achieve the desired material properties and geometries of the final structure, assessing the impact of process parameters and predicting optimized conditions with numerical modeling as an effective prediction tool is necessary. The targets for the processing are multiple and at different spatial scales, and the physical phenomena associated occur in multiphysics and multiscale. In this project, the research work has been developed to model AAM processes in a multiscale and multiphysics approach. A macroscale model was developed to investigate the residual stresses and distortion in AAM processes. A sequentially coupled, thermomechanical, finite element model was developed and validated experimentally. The results showed the temperature distribution, residual stress, and deformation within the formed deposits and substrates. A mesoscale model was developed to include heat transfer, phase change with mushy zone, incompressible free surface flow, solute redistribution, and surface tension. Because of excessive computing time needed, a parallel computing approach was also tested. In addition, after investigating various methods, a Smoothed Particle Hydrodynamics Model (SPH Model) was developed to model wire feeding process. Its computational efficiency and simple architecture makes it more robust and flexible than other models. More research on material properties may be needed to realistically model the AAM processes. A microscale model was developed to investigate heterogeneous nucleation, dendritic grain growth, epitaxial growth of columnar grains, columnar-to-equiaxed transition, grain transport in melt, and other properties. The orientations of the columnar grains were almost perpendicular to the laser motion's direction. Compared to the similar studies in the literature, the multiple grain morphology modeling result is in the same order of magnitude as optical morphologies in the experiment. Experimental work was conducted to validate different models. An infrared camera was incorporated as a process monitoring and validating tool to identify the solidus and mushy zones during deposition. The images were successfully processed to identify these regions. This research project has investigated multiscale and multiphysics of the complex AAM processes thus leading to advanced understanding of these processes. The project has also developed several modeling tools and experimental validation tools that will be very critical in the future of AAM process qualification and certification.

A Thermal Precipitator for Fire Characterization Research

NASA Technical Reports Server (NTRS)

Meyer, Marit; Bryg, Vicky

2008-01-01

Characterization of the smoke from pyrolysis of common spacecraft materials provides insight for the design of future smoke detectors and post-fire clean-up equipment on the International Space Station. A thermal precipitator was designed to collect smoke aerosol particles for microscopic analysis in fire characterization research. Information on particle morphology, size and agglomerate structure obtained from these tests supplements additional aerosol data collected. Initial modeling for the thermal precipitator design was performed with the finite element software COMSOL Multiphysics, and includes the flow field and heat transfer in the device. The COMSOL Particle Tracing Module was used to determine particle deposition on SEM stubs which include TEM grids. Modeling provided optimized design parameters such as geometry, flow rate and temperatures. Microscopy results from fire characterization research using the thermal precipitator are presented.

MASTODON: A geosciences simulation tool built using the open-source framework MOOSE

NASA Astrophysics Data System (ADS)

Slaughter, A.

2017-12-01

The Department of Energy (DOE) is currently investing millions of dollars annually into various modeling and simulation tools for all aspects of nuclear energy. An important part of this effort includes developing applications based on the open-source Multiphysics Object Oriented Simulation Environment (MOOSE; mooseframework.org) from Idaho National Laboratory (INL).Thanks to the efforts of the DOE and outside collaborators, MOOSE currently contains a large set of physics modules, including phase field, level set, heat conduction, tensor mechanics, Navier-Stokes, fracture (extended finite-element method), and porous media, among others. The tensor mechanics and contact modules, in particular, are well suited for nonlinear geosciences problems. Multi-hazard Analysis for STOchastic time-DOmaiN phenomena (MASTODON; https://seismic-research.inl.gov/SitePages/Mastodon.aspx)--a MOOSE-based application--is capable of analyzing the response of 3D soil-structure systems to external hazards with current development focused on earthquakes. It is capable of simulating seismic events and can perform extensive "source-to-site" simulations including earthquake fault rupture, nonlinear wave propagation, and nonlinear soil-structure interaction analysis. MASTODON also includes a dynamic probabilistic risk assessment capability that enables analysts to not only perform deterministic analyses, but also easily perform probabilistic or stochastic simulations for the purpose of risk assessment. Although MASTODON has been developed for the nuclear industry, it can be used to assess the risk for any structure subjected to earthquakes.The geosciences community can learn from the nuclear industry and harness the enormous effort underway to build simulation tools that are open, modular, and share a common framework. In particular, MOOSE-based multiphysics solvers are inherently parallel, dimension agnostic, adaptive in time and space, fully coupled, and capable of interacting with other applications. The geosciences community could benefit from existing tools by enabling collaboration between researchers and practitioners throughout the world and advance the state-of-the-art in line with other scientific research efforts.

Pedagogical Approach to the Modeling and Simulation of Oscillating Chemical Systems with Modern Software: The Brusselator Model

ERIC Educational Resources Information Center

Lozano-Parada, Jaime H.; Burnham, Helen; Martinez, Fiderman Machuca

2018-01-01

A classical nonlinear system, the "Brusselator", was used to illustrate the modeling and simulation of oscillating chemical systems using stability analysis techniques with modern software tools such as Comsol Multiphysics, Matlab, and Excel. A systematic approach is proposed in order to establish a regime of parametric conditions that…

Direct Utilization of Coal Syngas in High Temperature Fuel Cells

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

Celik, Ismail B.

2014-10-30

This EPSCoR project had two primary goals: (i) to build infrastructure and work force at WVU to support long-term research in the area of fuel cells and related sciences; (ii) study effects of various impurities found in coal-syngas on performance of Solid Oxide Fuel Cells (SOFC). As detailed in this report the WVU research team has made significant accomplishments in both of these areas. What follows is a brief summary of these accomplishments: State-of-the-art test facilities and diagnostic tools have been built and put into use. These include cell manufacturing, half-cell and full-cell test benches, XPS, XRD, TEM, Raman, EDAX,more » SEM, EIS, and ESEM equipment, unique in-situ measurement techniques and test benches (Environmental EM, Transient Mass-Spectrometer-MS, and IR Optical Temperature measurements). In addition, computational capabilities have been developed culminating in a multi-scale multi-physics fuel cell simulation code, DREAM-SOFC, as well as a Beowulf cluster with 64 CPU units. We have trained 16 graduate students, 10 postdoctoral fellows, and recruited 4 new young faculty members who have actively participated in the EPSCoR project. All four of these faculty members have already been promoted to the tenured associate professor level. With the help of these faculty and students, we were able to secure 14 research awards/contracts amounting to a total of circa $5.0 Million external funding in closely related areas of research. Using the facilities mentioned above, the effects of PH3, HCl, Cl2, and H2S on cell performance have been studied in detail, mechanisms have been identified, and also remedies have been proposed and demonstrated in the laboratory. For example, it has been determined that PH3 reacts rapidly with Ni to from secondary compounds which may become softer or even melt at high temperature and then induce Ni migration to the surface of the cell changing the material and micro-structural properties of the cell drastically. It is found that the extent of steam and current load accelerate the degradation caused by PH3. A unique filtering technique has been proposed to reduce the effect of PH3. In addition, various cell materials have been proposed to reduce the rate of degradation caused by H2S. Furthermore, a three-dimensional, transient multi-physics model has been formulated to describe primary transport processes and electro-chemical reactions occurring within the cell. This model has been validated using data gathered from accelerated tests. The validated model then has been used to study the degradation rates under a range of operating conditions and impurity levels. This has resulted in a procedure that uses both experiments and simulations to predict the life-time of a cell operating with syngas with known concentration of trace impurities. Finally all the experience and knowledge gained has been disseminated via 39 journal papers and 43 presentations/posters/conference papers.« less

Determination of Specific Forces and Tool Deflections in Micro-milling of Ti-6Al-4V alloy using Finite Element Simulations and Analysis

NASA Astrophysics Data System (ADS)

Farina, Simone; Thepsonti, Thanongsak; Ceretti, Elisabetta; Özel, Tugrul

2011-05-01

Titanium alloys offer superb properties in strength, corrosion resistance and biocompatibility and are commonly utilized in medical devices and implants. Micro-end milling process is a direct and rapid fabrication method for manufacturing medical devices and implants in titanium alloys. Process performance and quality depend upon an understanding of the relationship between cutting parameters and forces and resultant tool deflections to avoid tool breakage. For this purpose, FE simulations of chip formation during micro-end milling of Ti-6Al-4V alloy with an ultra-fine grain solid carbide two-flute micro-end mill are investigated using DEFORM software. At first, specific forces in tangential and radial directions of cutting during micro-end milling for varying feed advance and rotational speeds have been determined using designed FE simulations for chip formation process. Later, these forces are applied to the micro-end mill geometry along the axial depth of cut in 3D analysis of ABAQUS. Consequently, 3D distributions for tool deflections & von Misses stress are determined. These analyses will yield in establishing integrated multi-physics process models for high performance micro-end milling and a leap-forward to process improvements.

A novel medical image data-based multi-physics simulation platform for computational life sciences.

PubMed

Neufeld, Esra; Szczerba, Dominik; Chavannes, Nicolas; Kuster, Niels

2013-04-06

Simulating and modelling complex biological systems in computational life sciences requires specialized software tools that can perform medical image data-based modelling, jointly visualize the data and computational results, and handle large, complex, realistic and often noisy anatomical models. The required novel solvers must provide the power to model the physics, biology and physiology of living tissue within the full complexity of the human anatomy (e.g. neuronal activity, perfusion and ultrasound propagation). A multi-physics simulation platform satisfying these requirements has been developed for applications including device development and optimization, safety assessment, basic research, and treatment planning. This simulation platform consists of detailed, parametrized anatomical models, a segmentation and meshing tool, a wide range of solvers and optimizers, a framework for the rapid development of specialized and parallelized finite element method solvers, a visualization toolkit-based visualization engine, a Python scripting interface for customized applications, a coupling framework, and more. Core components are cross-platform compatible and use open formats. Several examples of applications are presented: hyperthermia cancer treatment planning, tumour growth modelling, evaluating the magneto-haemodynamic effect as a biomarker and physics-based morphing of anatomical models.

Pervasive Restart In MOOSE-based Applications

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

Derek Gaston; Cody Permann; David Andrs

Multiphysics applications are inherently complicated. Solving for multiple, interacting physical phenomena involves the solution of multiple equations, and each equation has its own data dependencies. Feeding the correct data to these equations at exactly the right time requires extensive effort in software design. In an ideal world, multiphysics applications always run to completion and produce correct answers. Unfortunately, in reality, there can be many reasons why a simulation might fail: power outage, system failure, exceeding a runtime allotment on a supercomputer, failure of the solver to converge, etc. A failure after many hours spent computing can be a significant setbackmore » for a project. Therefore, the ability to “continue” a solve from the point of failure, rather than starting again from scratch, is an essential component of any high-quality simulation tool. This process of “continuation” is commonly termed “restart” in the computational community. While the concept of restarting an application sounds ideal, the aforementioned complexities and data dependencies present in multiphysics applications make its implementation decidedly non-trivial. A running multiphysics calculation accumulates an enormous amount of “state”: current time, solution history, material properties, status of mechanical contact, etc. This “state” data comes in many different forms, including scalar, tensor, vector, and arbitrary, application-specific data types. To be able to restart an application, you must be able to both store and retrieve this data, effectively recreating the state of the application before the failure. When utilizing the Multiphysics Object Oriented Simulation Environment (MOOSE) framework developed at Idaho National Laboratory, this state data is stored both internally within the framework itself (such as solution vectors and the current time) and within the applications that use the framework. In order to implement restart in MOOSE-based applications, the total state of the system (both within the framework and without) must be stored and retrieved. To this end, the MOOSE team has implemented a “pervasive” restart capability which allows any object within MOOSE (or within a MOOSE-based application) to be declared as “state” data, and handles the storage and retrieval of said data.« less

Synthesis and characterization of hollow spherical copper phosphide (Cu 3P) nanopowders

NASA Astrophysics Data System (ADS)

Liu, Shuling; Qian, Yitai; Xu, Liqiang

2009-03-01

In this paper, hollow spherical Cu 3P nanopowders were synthesized by using copper sulfate pentahydrate (CuSO 4ṡ5H 2O) and yellow phosphorus in a mixed solvent of glycol, ethanol and water at 140-180 ∘C for 12 h. X-ray powder diffraction (XRD), energy dispersive X-ray spectroscopy (EDX), electron diffraction pattern (ED) and transmission electronic microscopy (TEM) studies show that the as-synthesized nanocrystal is pure hexagonal phase Cu 3P with a hollow spherical morphology. Based on the TEM observations, a possible aggregation growth mechanism was proposed for the formation of Cu 3P hollow structures. Meanwhile, the effects of some key factors such as solvents, reaction temperature and reaction time on the final formation of the Cu 3P hollow structure were also discussed.

Computational simulation of biomolecules transport with multi-physics near microchannel surface for development of biomolecules-detection devices.

PubMed

Suzuki, Yuma; Shimizu, Tetsuhide; Yang, Ming

2017-01-01

The quantitative evaluation of the biomolecules transport with multi-physics in nano/micro scale is demanded in order to optimize the design of microfluidics device for the biomolecules detection with high detection sensitivity and rapid diagnosis. This paper aimed to investigate the effectivity of the computational simulation using the numerical model of the biomolecules transport with multi-physics near a microchannel surface on the development of biomolecules-detection devices. The biomolecules transport with fluid drag force, electric double layer (EDL) force, and van der Waals force was modeled by Newtonian Equation of motion. The model validity was verified in the influence of ion strength and flow velocity on biomolecules distribution near the surface compared with experimental results of previous studies. The influence of acting forces on its distribution near the surface was investigated by the simulation. The trend of its distribution to ion strength and flow velocity was agreement with the experimental result by the combination of all acting forces. Furthermore, EDL force dominantly influenced its distribution near its surface compared with fluid drag force except for the case of high velocity and low ion strength. The knowledges from the simulation might be useful for the design of biomolecules-detection devices and the simulation can be expected to be applied on its development as the design tool for high detection sensitivity and rapid diagnosis in the future.

Modeling of Lithium Niobate (LiNbO3) and Aluminum Nitride (AlN) Nanowires Using Comsol Multiphysics Software: The Case of Pressure Sensor

NASA Astrophysics Data System (ADS)

Ahmad, A. A.; Alsaad, A.; Al-Bataineh, Q. M.; Al-Naafa, M. A.

2018-02-01

In this study, Lithium niobate (LiNbO3) and Aluminum nitride (AlN) nanostructures were designed and investigated using the COMSOL Multiphysics software for pressure sensing applications. The Finite Element Method (FEM) was used for solving the differential equations with various parameters such as size, length, force, etc. The variation of the total maximum displacement as a function of applied force for various NWs lengths and the variation of the voltage as a function of applied force were plotted and discussed. AlN nanowires exhibit a better piezoelectric response than LiNbO3 nanowires do.

Multiphysics Simulations: Challenges and Opportunities

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

Keyes, David; McInnes, Lois C.; Woodward, Carol

2013-02-12

We consider multiphysics applications from algorithmic and architectural perspectives, where ‘‘algorithmic’’ includes both mathematical analysis and computational complexity, and ‘‘architectural’’ includes both software and hardware environments. Many diverse multiphysics applications can be reduced, en route to their computational simulation, to a common algebraic coupling paradigm. Mathematical analysis of multiphysics coupling in this form is not always practical for realistic applications, but model problems representative of applications discussed herein can provide insight. A variety of software frameworks for multiphysics applications have been constructed and refined within disciplinary communities and executed on leading-edge computer systems. We examine several of these, expose somemore » commonalities among them, and attempt to extrapolate best practices to future systems. From our study, we summarize challenges and forecast opportunities.« less

Clinical and psychopathological features associated with treatment-emergent mania in bipolar-II depressed outpatients exposed to antidepressants.

PubMed

Fornaro, Michele; Anastasia, Annalisa; Monaco, Francesco; Novello, Stefano; Fusco, Andrea; Iasevoli, Felice; De Berardis, Domenico; Veronese, Nicola; Solmi, Marco; de Bartolomeis, Andrea

2018-07-01

Treatment-emergent affective switch (TEAS), including treatment-emergent mania (TEM), carry significant burden in the clinical management of bipolar depression, whereas the use of antidepressants raises both efficacy, safety and tolerability concerns. The present study assesses the prevalence and clinical correlates of TEM in selected sample of Bipolar Disorder (BD) Type-II (BD-II) acute depression outpatients. Post-hoc analysis of the clinical and psychopathological features associated with TEM among 91 BD-II depressed outpatients exposed to antidepressants. Second-generation antipsychotics (SGA) (p = .005), lithium (≤ .001), cyclothymic/irritable/hyperthymic temperaments (p = ≤ .001; p = .001; p = .003, respectively), rapid-cycling (p = .005) and depressive mixed features (p = .003) differed between TEM + cases vs. TEM - controls. Upon multinomial logistic regression, the accounted psychopathological features correctly classified as much as 88.6% of TEM + cases (35/91 overall sample, or 38.46% of the sample), yet not statistically significantly [Exp(B) = .032; p = ns]. Specifically, lithium [B = - 2.385; p = .001], SGAs [B = - 2.354; p = .002] predicted lower rates of TEM + in contrast to the number of lifetime previous psychiatric hospitalizations [B = 2.380; p = .002], whereas mixed features did not [B = 1.267; p = ns]. Post-hoc analysis. Lack of systematic pharmacological history record; chance of recall bias and Berkson's biases. Permissive operational criterion for TEM. Relatively small sample size. Cyclothymic temperament and mixed depression discriminated TEM + between TEM - cases, although only lithium and the SGAs reliably predicted TEM +/- grouping. Larger-sampled/powered longitudinal replication studies are warranted to allow firm conclusions on the matter, ideally contributing to the identification of clear-cut sub-phenotypes of BD towards patient-tailored-pharmacotherapy. Copyright © 2018 Elsevier B.V. All rights reserved.

Wide-field Imaging System and Rapid Direction of Optical Zoom (WOZ)

DTIC Science & Technology

2010-12-24

The modeling tools are based on interaction between three commercial software packages: SolidWorks, COMSOL Multiphysics, and ZEMAX optical design...deformation resulting from the applied voltages. Finally, the deformed surface can be exported to ZEMAX via MatLab. From ZEMAX , various analyses can...results to extract from ZEMAX to support the optimization remains to be determined. Figure 1 shows the deformation calculated using a model of an

FAST Modularization Framework for Wind Turbine Simulation: Full-System Linearization

DOE PAGES

Jonkman, Jason M.; Jonkman, Bonnie J.

2016-10-03

The wind engineering community relies on multiphysics engineering software to run nonlinear time-domain simulations e.g. for design-standards-based loads analysis. Although most physics involved in wind energy are nonlinear, linearization of the underlying nonlinear system equations is often advantageous to understand the system response and exploit well-established methods and tools for analyzing linear systems. Here, this paper presents the development and verification of the new linearization functionality of the open-source engineering tool FAST v8 for land-based wind turbines, as well as the concepts and mathematical background needed to understand and apply it correctly.

AeroDyn V15.04: Design tool for wind and MHK turbines

DOE Data Explorer

Murray, Robynne; Hayman, Greg; Jonkman, Jason

2017-04-28

AeroDyn is a time-domain wind and MHK turbine aerodynamics module that can be coupled into the FAST version 8 multi-physics engineering tool to enable aero-elastic simulation of horizontal-axis wind turbines. AeroDyn V15.04 has been updated to include a cavitation check for MHK turbines, and can be driven as a standalone code to compute wind turbine aerodynamic response uncoupled from FAST. Note that while AeroDyn has been updated to v15.04, FAST v8.16 has not yet been updated and still uses AeroDyn v15.03.

FAST modularization framework for wind turbine simulation: full-system linearization

NASA Astrophysics Data System (ADS)

Jonkman, J. M.; Jonkman, B. J.

2016-09-01

The wind engineering community relies on multiphysics engineering software to run nonlinear time-domain simulations e.g. for design-standards-based loads analysis. Although most physics involved in wind energy are nonlinear, linearization of the underlying nonlinear system equations is often advantageous to understand the system response and exploit well- established methods and tools for analyzing linear systems. This paper presents the development and verification of the new linearization functionality of the open-source engineering tool FAST v8 for land-based wind turbines, as well as the concepts and mathematical background needed to understand and apply it correctly.

Experimental Evaluation of Acoustic Engine Liner Models Developed with COMSOL Multiphysics

NASA Technical Reports Server (NTRS)

Schiller, Noah H.; Jones, Michael G.; Bertolucci, Brandon

2017-01-01

Accurate modeling tools are needed to design new engine liners capable of reducing aircraft noise. The purpose of this study is to determine if a commercially-available finite element package, COMSOL Multiphysics, can be used to accurately model a range of different acoustic engine liner designs, and in the process, collect and document a benchmark dataset that can be used in both current and future code evaluation activities. To achieve these goals, a variety of liner samples, ranging from conventional perforate-over-honeycomb to extended-reaction designs, were installed in one wall of the grazing flow impedance tube at the NASA Langley Research Center. The liners were exposed to high sound pressure levels and grazing flow, and the effect of the liner on the sound field in the flow duct was measured. These measurements were then compared with predictions. While this report only includes comparisons for a subset of the configurations, the full database of all measurements and predictions is available in electronic format upon request. The results demonstrate that both conventional perforate-over-honeycomb and extended-reaction liners can be accurately modeled using COMSOL. Therefore, this modeling tool can be used with confidence to supplement the current suite of acoustic propagation codes, and ultimately develop new acoustic engine liners designed to reduce aircraft noise.

Nanocrystalline p-hydroxyacetanilide (paracetamol) and gold core-shell structure as a model drug deliverable organic-inorganic hybrid nanostructure

NASA Astrophysics Data System (ADS)

Das, Subhojit; Paul, Anumita; Chattopadhyay, Arun

2013-09-01

We report on the generation of core-shell nanoparticles (NPs) having an organic nanocrystal (NC) core coated with an inorganic metallic shell, being dispersed in aqueous medium. First, NCs of p-hydroxyacetanilide (pHA)--known also as paracetamol--were generated in an aqueous medium. Transmission electron microscopy (TEM) and powder X-ray diffraction (XRD) evidenced the formation of pHA NCs and of their crystalline nature. The NCs were then coated with Au to form pHA@Au core-shell NPs, where the thickness of the Au shell was on the order of nanometers. The formation of Au nanoshell--surrounding pHA NC--was confirmed from its surface plasmon resonance (SPR) band in the UV/Vis spectrum and by TEM measurements. Further, on treatment of the core-shell particles with a solution comprising NaCl and HCl (pH < 3), the Au shell could be dissolved, subsequently releasing pHA molecules. The dissolution of Au shell was marked by a gradual diminishing of its SPR band, while the release of pHA molecules in the solution was confirmed from TEM and FTIR studies. The findings suggest that the core-shell NP could be hypothesized to be a model for encapsulating drug molecules, in their crystalline forms, for slow as well as targeted release.We report on the generation of core-shell nanoparticles (NPs) having an organic nanocrystal (NC) core coated with an inorganic metallic shell, being dispersed in aqueous medium. First, NCs of p-hydroxyacetanilide (pHA)--known also as paracetamol--were generated in an aqueous medium. Transmission electron microscopy (TEM) and powder X-ray diffraction (XRD) evidenced the formation of pHA NCs and of their crystalline nature. The NCs were then coated with Au to form pHA@Au core-shell NPs, where the thickness of the Au shell was on the order of nanometers. The formation of Au nanoshell--surrounding pHA NC--was confirmed from its surface plasmon resonance (SPR) band in the UV/Vis spectrum and by TEM measurements. Further, on treatment of the core-shell particles with a solution comprising NaCl and HCl (pH < 3), the Au shell could be dissolved, subsequently releasing pHA molecules. The dissolution of Au shell was marked by a gradual diminishing of its SPR band, while the release of pHA molecules in the solution was confirmed from TEM and FTIR studies. The findings suggest that the core-shell NP could be hypothesized to be a model for encapsulating drug molecules, in their crystalline forms, for slow as well as targeted release. Electronic supplementary information (ESI) available: See DOI: 10.1039/c3nr03566b

Multiphysics modeling of the steel continuous casting process

NASA Astrophysics Data System (ADS)

Hibbeler, Lance C.

This work develops a macroscale, multiphysics model of the continuous casting of steel. The complete model accounts for the turbulent flow and nonuniform distribution of superheat in the molten steel, the elastic-viscoplastic thermal shrinkage of the solidifying shell, the heat transfer through the shell-mold interface with variable gap size, and the thermal distortion of the mold. These models are coupled together with carefully constructed boundary conditions with the aid of reduced-order models into a single tool to investigate behavior in the mold region, for practical applications such as predicting ideal tapers for a beam-blank mold. The thermal and mechanical behaviors of the mold are explored as part of the overall modeling effort, for funnel molds and for beam-blank molds. These models include high geometric detail and reveal temperature variations on the mold-shell interface that may be responsible for cracks in the shell. Specifically, the funnel mold has a column of mold bolts in the middle of the inside-curve region of the funnel that disturbs the uniformity of the hot face temperatures, which combined with the bending effect of the mold on the shell, can lead to longitudinal facial cracks. The shoulder region of the beam-blank mold shows a local hot spot that can be reduced with additional cooling in this region. The distorted shape of the funnel mold narrow face is validated with recent inclinometer measurements from an operating caster. The calculated hot face temperatures and distorted shapes of the mold are transferred into the multiphysics model of the solidifying shell. The boundary conditions for the first iteration of the multiphysics model come from reduced-order models of the process; one such model is derived in this work for mold heat transfer. The reduced-order model relies on the physics of the solution to the one-dimensional heat-conduction equation to maintain the relationships between inputs and outputs of the model. The geometric parameters in the model are calibrated such that the reduced-order model temperatures match a small, periodic subdomain of the mold. These parameters are demonstrated to be insensitive to the calibration conditions. The thermal behavior of the detailed, three-dimensional mold models used in this work can be approximated closely with a few arithmetic calculations after calibrating the reduced-order model of mold heat transfer. The example application of the model includes the effects of the molten steel jet on the solidification front and the ferrostatic pressure. The model is demonstrated to match measurements of mold heat removal and the thickness of a breakout shell all the way around the perimeter of the mold, and gives insight to the cause of breakouts in a beam-blank caster. This multiphysics modeling approach redefines the state of the art of process modeling for continuous casting, and can be~used in future work to explore the formation and prevention of defects and other practical issues. This work also explores the eigen-problem for an arbitrary 3x3 matrix. An explicit, algebraic formula for the eigenvectors is presented.

Probing the Tyrosine Phosphorylation State in Breast Cancer by Src Homology 2 Domain Binding

DTIC Science & Technology

2006-08-01

pervanadate, a potent tyrosine phosphatase inhibitor . In the absence of pervanadate, endogenous phosphatases very rapidly dephosphorylate tyrosine...Shd Loc90525 Crk CrkL Plcg1NCPlcg2NC P85aNC p55gNC Vav1 Vav2 Vav3 Tec Btk Emt Txk Bmx Slp76 Mist MistRK GapNC Chimerin Chimerin 2 Tensin Tem6 Tenc1...Plcg1NCPlcg2NC P85aNC Vav1 Vav2 Vav3 Tec Btk Emt Txk Bmx Slp76 Mist MistRK GapNC Chimerin Chimerin 2 Tensin Tem6 Tenc1 Cis1 Cten Nap4 Rin1 RIn2 Rin3

Multiphysics modelling and experimental validation of an air-coupled array of PMUTs with residual stresses

NASA Astrophysics Data System (ADS)

Massimino, G.; Colombo, A.; D'Alessandro, L.; Procopio, F.; Ardito, R.; Ferrera, M.; Corigliano, A.

2018-05-01

In this paper a complete multiphysics modelling via the finite element method (FEM) of an air-coupled array of piezoelectric micromachined ultrasonic transducers (PMUT) and its experimental validation are presented. Two numerical models are described for the single transducer, axisymmetric and 3D, with the following features: the presence of fabrication induced residual stresses, which determine a non-linear initial deformed configuration of the diaphragm and a substantial fundamental mode frequency shift; the multiple coupling between different physics, namely electro-mechanical coupling for the piezo-electric model, thermo-acoustic-structural interaction and thermo-acoustic-pressure interaction for the waves propagation in the surrounding fluid. The model for the single transducer is enhanced considering the full set of PMUTs belonging to the silicon dye in a 4 × 4 array configuration. The results of the numerical multiphysics models are compared with experimental ones in terms of the initial static pre-deflection, of the diaphragm central point spectrum and of the sound intensity at 3.5 cm on the vertical direction along the axis of the diaphragm.

Petascale computation of multi-physics seismic simulations

NASA Astrophysics Data System (ADS)

Gabriel, Alice-Agnes; Madden, Elizabeth H.; Ulrich, Thomas; Wollherr, Stephanie; Duru, Kenneth C.

2017-04-01

Capturing the observed complexity of earthquake sources in concurrence with seismic wave propagation simulations is an inherently multi-scale, multi-physics problem. In this presentation, we present simulations of earthquake scenarios resolving high-detail dynamic rupture evolution and high frequency ground motion. The simulations combine a multitude of representations of model complexity; such as non-linear fault friction, thermal and fluid effects, heterogeneous fault stress and fault strength initial conditions, fault curvature and roughness, on- and off-fault non-elastic failure to capture dynamic rupture behavior at the source; and seismic wave attenuation, 3D subsurface structure and bathymetry impacting seismic wave propagation. Performing such scenarios at the necessary spatio-temporal resolution requires highly optimized and massively parallel simulation tools which can efficiently exploit HPC facilities. Our up to multi-PetaFLOP simulations are performed with SeisSol (www.seissol.org), an open-source software package based on an ADER-Discontinuous Galerkin (DG) scheme solving the seismic wave equations in velocity-stress formulation in elastic, viscoelastic, and viscoplastic media with high-order accuracy in time and space. Our flux-based implementation of frictional failure remains free of spurious oscillations. Tetrahedral unstructured meshes allow for complicated model geometry. SeisSol has been optimized on all software levels, including: assembler-level DG kernels which obtain 50% peak performance on some of the largest supercomputers worldwide; an overlapping MPI-OpenMP parallelization shadowing the multiphysics computations; usage of local time stepping; parallel input and output schemes and direct interfaces to community standard data formats. All these factors enable aim to minimise the time-to-solution. The results presented highlight the fact that modern numerical methods and hardware-aware optimization for modern supercomputers are essential to further our understanding of earthquake source physics and complement both physic-based ground motion research and empirical approaches in seismic hazard analysis. Lastly, we will conclude with an outlook on future exascale ADER-DG solvers for seismological applications.

Investigation of C3 S hydration mechanism by transmission electron microscope (TEM) with integrated Super-XTM EDS system.

PubMed

Sakalli, Y; Trettin, R

2017-07-01

Tricalciumsilicate (C 3 S, Alite) is the major component of the Portland cement clinker. Hydration of Alite is decisive in influencing the properties of the resulting material. This is due to its high content in cement. The mechanism of the hydration of C 3 S is very complicated and not yet fully understood. There are different models describing the hydration of C 3 S in various ways. In this work for a better understanding of hydration mechanism, the hydrated C 3 S was investigated by using the transmission electron microscope (TEM) and for the first time, the samples for the investigations were prepared by using of focused ion beam from sintered pellets of C 3 S. Also, an FEI Talos F200x with an integrated Super-X EDS system was used for the investigations. FEI Talos F200X combines outstanding high-resolution S/TEM and TEM imaging with energy dispersive X-ray spectroscopy signal detection, and 3D chemical characterization with compositional mapping. TEM is a very powerful tool for material science. A high energy beam of electrons passes through a very thin sample, and the interactions between the electrons and the atoms can be used to observe the structure of the material and other features in the structure. TEM can be used to study the growth of layers and their composition. TEM produces high-resolution, two-dimensional images and will be used for a wide range of educational, science and industry applications. Chemical analysis can also be performed. The purpose of these investigations was to get the information about the composition of the C-S-H phases and some details of the nanostructure of the C-S-H phases. © 2017 The Authors Journal of Microscopy © 2017 Royal Microscopical Society.

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

Keyes, D.; McInnes, L. C.; Woodward, C.

This report is an outcome of the workshop Multiphysics Simulations: Challenges and Opportunities, sponsored by the Institute of Computing in Science (ICiS). Additional information about the workshop, including relevant reading and presentations on multiphysics issues in applications, algorithms, and software, is available via https://sites.google.com/site/icismultiphysics2011/. We consider multiphysics applications from algorithmic and architectural perspectives, where 'algorithmic' includes both mathematical analysis and computational complexity and 'architectural' includes both software and hardware environments. Many diverse multiphysics applications can be reduced, en route to their computational simulation, to a common algebraic coupling paradigm. Mathematical analysis of multiphysics coupling in this form is not alwaysmore » practical for realistic applications, but model problems representative of applications discussed herein can provide insight. A variety of software frameworks for multiphysics applications have been constructed and refined within disciplinary communities and executed on leading-edge computer systems. We examine several of these, expose some commonalities among them, and attempt to extrapolate best practices to future systems. From our study, we summarize challenges and forecast opportunities. We also initiate a modest suite of test problems encompassing features present in many applications.« less

Structural and mechanical characterization of hybrid metallic-inorganic nanosprings

NASA Astrophysics Data System (ADS)

Habtoun, Sabrina; Houmadi, Said; Reig, Benjamin; Pouget, Emilie; Dedovets, Dmytro; Delville, Marie-Hélène; Oda, Reiko; Cristiano, Fuccio; Bergaud, Christian

2017-10-01

Silica nanosprings (NS) are fabricated by a sol-gel deposition of silica precursors onto a template made of self-assembled organic chiral nanostructures. They are deposited and assembled on microstructured silicon substrates, and then metallized and clamped in a single lithography-free step using a focused ion beam (FIB). The resulting suspended hybrid metallic/inorganic NS are then characterized with high-resolution transmission electron microscopy (HRTEM) and scanning TEM/energy-dispersive X-ray spectroscopy (STEM/EDX), showing the atomic structure of the metallic layer. Three-point bending tests are also carried out using an atomic force microscope (AFM) and supported by finite element method (FEM) simulation with COMSOL Multiphysics allowing the characterization of the mechanical behavior and the estimation of the stiffness of the resulting NS. The information obtained on the structural and mechanical properties of the NS is discussed for future nano-electro-mechanical system (NEMS) applications.

Exploring a Multiphysics Resolution Approach for Additive Manufacturing

NASA Astrophysics Data System (ADS)

Estupinan Donoso, Alvaro Antonio; Peters, Bernhard

2018-06-01

Metal additive manufacturing (AM) is a fast-evolving technology aiming to efficiently produce complex parts while saving resources. Worldwide, active research is being performed to solve the existing challenges of this growing technique. Constant computational advances have enabled multiscale and multiphysics numerical tools that complement the traditional physical experimentation. In this contribution, an advanced discrete-continuous concept is proposed to address the physical phenomena involved during laser powder bed fusion. The concept treats powder as discrete by the extended discrete element method, which predicts the thermodynamic state and phase change for each particle. The fluid surrounding is solved with multiphase computational fluid dynamics techniques to determine momentum, heat, gas and liquid transfer. Thus, results track the positions and thermochemical history of individual particles in conjunction with the prevailing fluid phases' temperature and composition. It is believed that this methodology can be employed to complement experimental research by analysis of the comprehensive results, which can be extracted from it to enable AM processes optimization for parts qualification.

An Object-Oriented Finite Element Framework for Multiphysics Phase Field Simulations

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

Michael R Tonks; Derek R Gaston; Paul C Millett

2012-01-01

The phase field approach is a powerful and popular method for modeling microstructure evolution. In this work, advanced numerical tools are used to create a phase field framework that facilitates rapid model development. This framework, called MARMOT, is based on Idaho National Laboratory's finite element Multiphysics Object-Oriented Simulation Environment. In MARMOT, the system of phase field partial differential equations (PDEs) are solved simultaneously with PDEs describing additional physics, such as solid mechanics and heat conduction, using the Jacobian-Free Newton Krylov Method. An object-oriented architecture is created by taking advantage of commonalities in phase fields models to facilitate development of newmore » models with very little written code. In addition, MARMOT provides access to mesh and time step adaptivity, reducing the cost for performing simulations with large disparities in both spatial and temporal scales. In this work, phase separation simulations are used to show the numerical performance of MARMOT. Deformation-induced grain growth and void growth simulations are included to demonstrate the muliphysics capability.« less

Characterization of TEM Moiré Patterns Originating from Two Monolayer Graphenes Grown on the Front and Back Sides of a Copper Substrate by CVD Method

NASA Astrophysics Data System (ADS)

Yamazaki, Kenji; Maehara, Yosuke; Gohara, Kazutoshi

2018-06-01

The number of layers affects the electronic properties of graphene owing to its unique band structure, called the Dirac corn. Raman spectroscopy is a key diagnostic tool for identifying the number of graphene layers and for determining their physical properties. Here, we observed moiré structures in transmission electron microscopy (TEM) observations; these are signature patterns in multilayer, although Raman spectra showed the typical intensity of the 2D/G peak in the monolayer. We also performed a multi-slice TEM image simulation to compare the 3D atomic structures of the two graphene membranes with experimental TEM images. We found that the experimental moiré image was constructed with a 9-12 Å interlayer distance between graphene membranes. This structure was constructed by transferring CVD-grown graphene films that formed on both sides of the Cu substrate at once.

Two-Step Multi-Physics Analysis of an Annular Linear Induction Pump for Fission Power Systems

NASA Technical Reports Server (NTRS)

Geng, Steven M.; Reid, Terry V.

2016-01-01

One of the key technologies associated with fission power systems (FPS) is the annular linear induction pump (ALIP). ALIPs are used to circulate liquid-metal fluid for transporting thermal energy from the nuclear reactor to the power conversion device. ALIPs designed and built to date for FPS project applications have not performed up to expectations. A unique, two-step approach was taken toward the multi-physics examination of an ALIP using ANSYS Maxwell 3D and Fluent. This multi-physics approach was developed so that engineers could investigate design variations that might improve pump performance. Of interest was to determine if simple geometric modifications could be made to the ALIP components with the goal of increasing the Lorentz forces acting on the liquid-metal fluid, which in turn would increase pumping capacity. The multi-physics model first calculates the Lorentz forces acting on the liquid metal fluid in the ALIP annulus. These forces are then used in a computational fluid dynamics simulation as (a) internal boundary conditions and (b) source functions in the momentum equations within the Navier-Stokes equations. The end result of the two-step analysis is a predicted pump pressure rise that can be compared with experimental data.

Three dimensional profile measurement using multi-channel detector MVM-SEM

NASA Astrophysics Data System (ADS)

Yoshikawa, Makoto; Harada, Sumito; Ito, Keisuke; Murakawa, Tsutomu; Shida, Soichi; Matsumoto, Jun; Nakamura, Takayuki

2014-07-01

In next generation lithography (NGL) for the 1x nm node and beyond, the three dimensional (3D) shape measurements such as side wall angle (SWA) and height of feature on photomask become more critical for the process control. Until today, AFM (Atomic Force Microscope), X-SEM (cross-section Scanning Electron Microscope) and TEM (Transmission Electron Microscope) tools are normally used for 3D measurements, however, these techniques require time-consuming preparation and observation. And both X-SEM and TEM are destructive measurement techniques. This paper presents a technology for quick and non-destructive 3D shape analysis using multi-channel detector MVM-SEM (Multi Vision Metrology SEM), and also reports its accuracy and precision.

Anorectal functional outcome after repeated transanal endoscopic microsurgery.

PubMed

Zhang, Hong-Wei; Han, Xiao-Dong; Wang, Yu; Zhang, Pin; Jin, Zhi-Ming

2012-10-28

To evaluate the status of anorectal function after repeated transanal endoscopic microsurgery (TEM). Twenty-one patients undergoing subtotal colectomy with ileorectal anastomosis were included. There were more than 5 large (> 1 cm) polyps in the remaining rectum (range: 6-20 cm from the anal edge). All patients, 19 with villous adenomas and 2 with low-grade adenocarcinomas, underwent TEM with submucosal endoscopic excision at least twice between 2005 and 2011. Anorectal manometry and a questionnaire about incontinence were carried out at week 1 before operation, and at weeks 2 and 3 and 6 mo after the last operation. Anal resting pressure, maximum squeeze pressure, maximum tolerable volume (MTV) and rectoanal inhibitory reflexes (RAIR) were recorded. The integrity and thickness of the internal anal sphincter (IAS) and external anal sphincter (EAS) were also evaluated by endoanal ultrasonography. We determined the physical and mental health status with SF-36 score to assess the effect of multiple TEM on patient quality of life (QoL). All patients answered the questionnaire. Apart from negative RAIR in 4 patients, all of the anorectal manometric values in the 21 patients were normal before operation. Mean anal resting pressure decreased from 38 ± 5 mmHg to 19 ± 3 mmHg (38 ± 5 mmHg vs 19 ± 3 mmHg, P = 0.000) and MTV from 165 ± 19 mL to 60 ± 11 mL (165 ± 19 mL vs 60 ± 11 mL, P = 0.000) at month 3 after surgery. Anal resting pressure and MTV were 37 ± 5 mmHg (38 ± 5 mmHg vs 37 ± 5 mmHg, P = 0.057) and 159 ± 19 mL (165 ± 19 mL vs 159 ± 19 mL, P = 0.071), respectively, at month 6 after TEM. Maximal squeeze pressure decreased from 171 ± 19 mmHg to 62 ± 12 mmHg (171 ± 19 mmHg vs 62 ± 12 mmHg, P = 0.000) at week 2 after operation, and returned to normal values by postoperative month 3 (171 ± 19 vs 166 ± 18, P = 0.051). RAIR were absent in 4 patients preoperatively and in 12 (χ(2) = 4.947, P = 0.026) patients at month 3 after surgery. RAIR was absent only in 5 patients at postoperative month 6 (χ(2) = 0.141, P = 0.707). Endosonography demonstrated that IAS disruption occurred in 8 patients, and 6 patients had temporary incontinence to flatus that was normalized by postoperative month 3. IAS thickness decreased from 1.9 ± 0.6 mm preoperatively to 1.3 ± 0.4 mm (1.9 ± 0.6 mm vs 1.3 ± 0.4 mm, P = 0.000) at postoperative month 3 and increased to 1.8 ± 0.5 mm (1.9 ± 0.6 mm vs 1.8 ± 0.5 mm, P = 0.239) at postoperative month 6. EAS thickness decreased from 3.7 ± 0.6 mm preoperatively to 3.5 ± 0.3 mm (3.7 ± 0.6 mm vs 3.5 ± 0.3 mm, P = 0.510) at month 3 and then increased to 3.6 ± 0.4 mm (3.7 ± 0.6 mm vs 3.6 ± 0.4 mm, P = 0.123) at month 6 after operation. Most patients had frequent stools per day and relatively high Wexner scores in a short time period. While actual fecal incontinence was exceptional, episodes of soiling were reported by 3 patients. With regard to the QoL, the physical and mental health status scores (SF-36) were 56.1 and 46.2 (50 in the general population), respectively. The anorectal function after repeated TEM is preserved. Multiple TEM procedures are useful for resection of multi-polyps in the remaining rectum.

The Role of Multiphysics Simulation in Multidisciplinary Analysis

NASA Technical Reports Server (NTRS)

Rifai, Steven M.; Ferencz, Robert M.; Wang, Wen-Ping; Spyropoulos, Evangelos T.; Lawrence, Charles; Melis, Matthew E.

1998-01-01

This article describes the applications of the Spectrum(Tm) Solver in Multidisciplinary Analysis (MDA). Spectrum, a multiphysics simulation software based on the finite element method, addresses compressible and incompressible fluid flow, structural, and thermal modeling as well as the interaction between these disciplines. Multiphysics simulation is based on a single computational framework for the modeling of multiple interacting physical phenomena. Interaction constraints are enforced in a fully-coupled manner using the augmented-Lagrangian method. Within the multiphysics framework, the finite element treatment of fluids is based on Galerkin-Least-Squares (GLS) method with discontinuity capturing operators. The arbitrary-Lagrangian-Eulerian method is utilized to account for deformable fluid domains. The finite element treatment of solids and structures is based on the Hu-Washizu variational principle. The multiphysics architecture lends itself naturally to high-performance parallel computing. Aeroelastic, propulsion, thermal management and manufacturing applications are presented.

Multiphysics Code Demonstrated for Propulsion Applications

NASA Technical Reports Server (NTRS)

Lawrence, Charles; Melis, Matthew E.

1998-01-01

The utility of multidisciplinary analysis tools for aeropropulsion applications is being investigated at the NASA Lewis Research Center. The goal of this project is to apply Spectrum, a multiphysics code developed by Centric Engineering Systems, Inc., to simulate multidisciplinary effects in turbomachinery components. Many engineering problems today involve detailed computer analyses to predict the thermal, aerodynamic, and structural response of a mechanical system as it undergoes service loading. Analysis of aerospace structures generally requires attention in all three disciplinary areas to adequately predict component service behavior, and in many cases, the results from one discipline substantially affect the outcome of the other two. There are numerous computer codes currently available in the engineering community to perform such analyses in each of these disciplines. Many of these codes are developed and used in-house by a given organization, and many are commercially available. However, few, if any, of these codes are designed specifically for multidisciplinary analyses. The Spectrum code has been developed for performing fully coupled fluid, thermal, and structural analyses on a mechanical system with a single simulation that accounts for all simultaneous interactions, thus eliminating the requirement for running a large number of sequential, separate, disciplinary analyses. The Spectrum code has a true multiphysics analysis capability, which improves analysis efficiency as well as accuracy. Centric Engineering, Inc., working with a team of Lewis and AlliedSignal Engines engineers, has been evaluating Spectrum for a variety of propulsion applications including disk quenching, drum cavity flow, aeromechanical simulations, and a centrifugal compressor flow simulation.

Electrochemical preparation of vertically aligned, hollow CdSe nanotubes and their p-n junction hybrids with electrodeposited Cu2O

NASA Astrophysics Data System (ADS)

Debgupta, Joyashish; Devarapalli, Ramireddy; Rahman, Shakeelur; Shelke, Manjusha V.; Pillai, Vijayamohanan K.

2014-07-01

Vertically aligned, hollow nanotubes of CdSe are grown on fluorine doped tin oxide (FTO) coated glass substrates by ZnO nanowire template-assisted electrodeposition technique, followed by selective removal of the ZnO core using NH4OH. A detailed mechanism of nucleation and anisotropic growth kinetics of nanotubes have been studied by a combination of characterization tools such as chronoamperometry, SEM and TEM. Interestingly, ``as grown'' CdSe nanotubes (CdSe NTs) on FTO coated glass plates behave as n-type semiconductors exhibiting an excellent photo-response (with a generated photocurrent density value of ~470 μA cm-2) while in contact with p-type Cu2O (p-type semiconductor, grown separately on FTO plates) because of the formation of a n-p heterojunction (type II). The observed photoresponse is 3 times higher than that of a similar device prepared with electrodeposited CdSe films (not nanotubes) and Cu2O on FTO. This has been attributed to the hollow 1-D nature of CdSe NTs, which provides enhanced inner and outer surface areas for better absorption of light and also assists faster transport of photogenerated charge carriers.Vertically aligned, hollow nanotubes of CdSe are grown on fluorine doped tin oxide (FTO) coated glass substrates by ZnO nanowire template-assisted electrodeposition technique, followed by selective removal of the ZnO core using NH4OH. A detailed mechanism of nucleation and anisotropic growth kinetics of nanotubes have been studied by a combination of characterization tools such as chronoamperometry, SEM and TEM. Interestingly, ``as grown'' CdSe nanotubes (CdSe NTs) on FTO coated glass plates behave as n-type semiconductors exhibiting an excellent photo-response (with a generated photocurrent density value of ~470 μA cm-2) while in contact with p-type Cu2O (p-type semiconductor, grown separately on FTO plates) because of the formation of a n-p heterojunction (type II). The observed photoresponse is 3 times higher than that of a similar device prepared with electrodeposited CdSe films (not nanotubes) and Cu2O on FTO. This has been attributed to the hollow 1-D nature of CdSe NTs, which provides enhanced inner and outer surface areas for better absorption of light and also assists faster transport of photogenerated charge carriers. Electronic supplementary information (ESI) available: See DOI: 10.1039/c3nr06917f

The Differential Roles of Budding Yeast Tem1p, Cdc15p, and Bub2p Protein Dynamics in Mitotic ExitD⃞V⃞

PubMed Central

Molk, Jeffrey N.; Schuyler, Scott C.; Liu, Jenny Y.; Evans, James G.; Salmon, E. D.; Pellman, David; Bloom, Kerry

2004-01-01

In the budding yeast Saccharomyces cerevisiae the mitotic spindle must be positioned along the mother-bud axis to activate the mitotic exit network (MEN) in anaphase. To examine MEN proteins during mitotic exit, we imaged the MEN activators Tem1p and Cdc15p and the MEN regulator Bub2p in vivo. Quantitative live cell fluorescence microscopy demonstrated the spindle pole body that segregated into the daughter cell (dSPB) signaled mitotic exit upon penetration into the bud. Activation of mitotic exit was associated with an increased abundance of Tem1p-GFP and the localization of Cdc15p-GFP on the dSPB. In contrast, Bub2p-GFP fluorescence intensity decreased in mid-to-late anaphase on the dSPB. Therefore, MEN protein localization fluctuates to switch from Bub2p inhibition of mitotic exit to Cdc15p activation of mitotic exit. The mechanism that elevates Tem1p-GFP abundance in anaphase is specific to dSPB penetration into the bud and Dhc1p and Lte1p promote Tem1p-GFP localization. Finally, fluorescence recovery after photobleaching (FRAP) measurements revealed Tem1p-GFP is dynamic at the dSPB in late anaphase. These data suggest spindle pole penetration into the bud activates mitotic exit, resulting in Tem1p and Cdc15p persistence at the dSPB to initiate the MEN signal cascade. PMID:14718561

(S)TEM analysis of functional transition metal oxides

NASA Astrophysics Data System (ADS)

Chi, Miaofang

Perovskite vanadates (AVO3) form an ideal family to study the structure-property relationships in transition metal oxides because their physical properties can easily be tailored by varying the A-site cations. (S)TEM is an ideal tool for this type of study due to its capacity for simultaneous imaging and chemical analysis. Determination of the oxidation state of vanadium in complex oxides have been carried out by electron energy loss spectroscopy. SrVO3/LaAlO3 is then studied both experimentally and theoretically as a prototype system. Extra electrons have been detected on the interface layer, and further proven to originate mainly from a change in the local bonding configuration of V at the La-O terminated substrate surface. Cr-containing stainless steel deposited with a LaCrO3 thin-film layer is a promising interconnect material of Solid Oxide Fuel Cells (SOFC). Our investigation on its microstructural evolution reveals that the LaCrO 3 thin film plays a role in inhibiting the growth of an oxide layer on the metal surface and thus protects the surface of the stainless steel. Ca-doped LaCoO3 is a promising SOFC cathode material. The domain structures and the oxidation state of Co in Ca-doped LaCoO3, which are directly related to its mechanical properties and electronic conductivity, are investigated by in-situ TEM and EELS. The formation of microcracks is observed during thermal cycles. Ca-doping in LaCoO3 is shown to not only improve the electronic conductivity of the material, but is also likely to strengthen the grain boundaries. The realization of its application in SOFCs depends on depressing the ferroelastisity to reduce strain formation during thermal cycles. The application of the (S)TEM techniques used for studying the perovskite systems are further extended to other compounds containing transition metal elements. The refractory minerals from Comet 81 P/Wild-2 are studied to investigate the formation of the early solar system. A relatively high Ti3+/Ti 4+ ratio in fassaite and the presence of osbornite indicate that the Comet refractory minerals formed in the inner solar nebula and were later transported to the outer solar system where the comet formed. This implies a much more dynamic and perhaps more violent solar nebula than was previously suspected.

A Computational Framework for Efficient Low Temperature Plasma Simulations

NASA Astrophysics Data System (ADS)

Verma, Abhishek Kumar; Venkattraman, Ayyaswamy

2016-10-01

Over the past years, scientific computing has emerged as an essential tool for the investigation and prediction of low temperature plasmas (LTP) applications which includes electronics, nanomaterial synthesis, metamaterials etc. To further explore the LTP behavior with greater fidelity, we present a computational toolbox developed to perform LTP simulations. This framework will allow us to enhance our understanding of multiscale plasma phenomenon using high performance computing tools mainly based on OpenFOAM FVM distribution. Although aimed at microplasma simulations, the modular framework is able to perform multiscale, multiphysics simulations of physical systems comprises of LTP. Some salient introductory features are capability to perform parallel, 3D simulations of LTP applications on unstructured meshes. Performance of the solver is tested based on numerical results assessing accuracy and efficiency of benchmarks for problems in microdischarge devices. Numerical simulation of microplasma reactor at atmospheric pressure with hemispherical dielectric coated electrodes will be discussed and hence, provide an overview of applicability and future scope of this framework.

Status and future of MUSE

NASA Astrophysics Data System (ADS)

Harfst, S.; Portegies Zwart, S.; McMillan, S.

2008-12-01

We present MUSE, a software framework for combining existing computational tools from different astrophysical domains into a single multi-physics, multi-scale application. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly-coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for studying generalized stellar systems. We have now reached a ``Noah's Ark'' milestone, with (at least) two available numerical solvers for each domain. MUSE can treat multi-scale and multi-physics systems in which the time- and size-scales are well separated, like simulating the evolution of planetary systems, small stellar associations, dense stellar clusters, galaxies and galactic nuclei. In this paper we describe two examples calculated using MUSE: the merger of two galaxies and an N-body simulation with live stellar evolution. In addition, we demonstrate an implementation of MUSE on a distributed computer which may also include special-purpose hardware, such as GRAPEs or GPUs, to accelerate computations. The current MUSE code base is publicly available as open source at http://muse.li.

Morphological and Microstructural Evolution of Phosphorous-Rich Layer in SnAgCu/Ni-P UBM Solder Joint

NASA Astrophysics Data System (ADS)

Lin, Yung-Chi; Shih, Toung-Yi; Tien, Shih-Kang; Duh, Jenq-Gong

2007-11-01

Interfacial morphologies and microstructure of Sn-3Ag-0.5Cu/Ni-P under bump metallization (UBM) with various phosphorous contents were investigated by transmission electron microscope (TEM) and field emission electron probe microanalyzer (FE-EPMA). It was revealed that as the Ni-Sn-P compound was formed between the solder matrix and Ni-P UBM, the conventionally so-called phosphorous-rich (P-rich) layer was transformed to a series of layer compounds, including Ni3P, Ni12P5 and Ni2P. The relationship between Ni-Sn-P formation and evolution of P-rich layers was probed by electron microscopic characterization with the aid of the phase diagram of Ni-P. On the basis of the TEM micrograph, the selected area diffraction (SAD) pattern, and the FE-EPMA results, the detailed phase evolution of P-rich layers in the SnAgCu/Ni-P joint was revealed and proposed.

Design and multiphysics analysis of a 176Â MHz continuous-wave radio-frequency quadrupole

NASA Astrophysics Data System (ADS)

Kutsaev, S. V.; Mustapha, B.; Ostroumov, P. N.; Barcikowski, A.; Schrage, D.; Rodnizki, J.; Berkovits, D.

2014-07-01

We have developed a new design for a 176 MHz cw radio-frequency quadrupole (RFQ) for the SARAF upgrade project. At this frequency, the proposed design is a conventional four-vane structure. The main design goals are to provide the highest possible shunt impedance while limiting the required rf power to about 120 kW for reliable cw operation, and the length to about 4 meters. If built as designed, the proposed RFQ will be the first four-vane cw RFQ built as a single cavity (no resonant coupling required) that does not require π-mode stabilizing loops or dipole rods. For this, we rely on very detailed 3D simulations of all aspects of the structure and the level of machining precision achieved on the recently developed ATLAS upgrade RFQ. A full 3D model of the structure including vane modulation was developed. The design was optimized using electromagnetic and multiphysics simulations. Following the choice of the vane type and geometry, the vane undercuts were optimized to produce a flat field along the structure. The final design has good mode separation and should not need dipole rods if built as designed, but their effect was studied in the case of manufacturing errors. The tuners were also designed and optimized to tune the main mode without affecting the field flatness. Following the electromagnetic (EM) design optimization, a multiphysics engineering analysis of the structure was performed. The multiphysics analysis is a coupled electromagnetic, thermal and mechanical analysis. The cooling channels, including their paths and sizes, were optimized based on the limiting temperature and deformation requirements. The frequency sensitivity to the RFQ body and vane cooling water temperatures was carefully studied in order to use it for frequency fine-tuning. Finally, an inductive rf power coupler design based on the ATLAS RFQ coupler was developed and simulated. The EM design optimization was performed using cst Microwave Studio and the results were verified using both hfss and ansys. The engineering analysis was performed using hfss and ansys and most of the results were verified using the newly developed cst Multiphysics package.

(Project 14-6770) An Investigation to Establish Multiphysical Property Dataset of Nuclear Materials Based on in-situ Observations and Measurements

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

Tomar, Vikas; Haque, Aman; Hattar, Khalid

In-core nuclear materials including fuel pins and cladding materials fail due to issues including corrosion, mechanical wear, and pellet cladding interaction. In most such scenario microstructure dependent and corrosioninduced chemistry dependent property changes significantly affect performance of cladding, pellet, and housing. Emphasis of this work was on replace conventional pellet-cladding material models with a new straingradient viscoplasticity model that is informed by transmission electron microscopy (TEM) based measurements and by nanomechanical Raman spectroscopy (NMRS) based measurements. The TEM measurements are quantitative in nature and therefore reveal stress-strain relations with simultaneous insights into mechanisms of deformation at nanoscale. The NMRS measurementsmore » reveal the similar information at mesoscale along with additional information on relating local microstructural stresses with applied stresses. The resulting information is used to fit constants in the strain gradient viscoplasticity model as well as to validate one. During TEM measurements, a micro-electro-mechanical system based setup was developed with mechanical actuation, sensing, heating, and electrical loading. Contrary to post-mortem analysis or qualitative visualization, this setup combines direct visualization of the mechanisms behind deformation with measurement of stress, strain, thermal and electrical properties. The unique research philosophy of visualizing the microstructure at high resolution while measuring the properties led to fundamental understanding in grain size and temperature effects on measured mechanical properties such as fracture toughness. A key contribution is the role of mechanical loading boundary conditions to deconvolute the insitu TEM based nanoscale and NMRS based mesoscale data to bulk behavior. First the literature based pellet cladding mechanical interaction model based on the work of Retel’s and Williamson’s in literature work to predict tempurature and stress distribution in cladding and pellet at normal operating condition was analyzed. Later the data was fitted to find constants for a viscoplastic strain gradient model. The developed model still needs to be refined and calibrated using various experimental results. That remains the focus of future work. Overall, a major thrust of the work was therefore on active control of the microstructure (grain size, defect density and types) exploiting the multi-physics coupling in materials. In particular, using experiments the synergy of current density, mechanical stress and temperature were studied to annihilate defects and recrystallize grains. The developed model is being examined for implementation in BISON. Multiple invited talks, international journal publications, and conference publications were performed by students supported on this work. Another output is support multiple PhD and masters thesis students who will be an important asset for future basic nuclear research. Future Work Recommendations: A nuclear reactor operates under significant variations of thermal loads due to energy cycling and mechanical loads due to constraint effects. Significant thermal and chemical diffusion takes place at the pallet-cladding level. While the proposed work established new experimental approach and new dataset for Zircaloy-4, the irradiation level was in the range of 1-2 dpa. Samples with higher dpa need to be examined. Therefore, a continual of support of the performed work is essential. Currently, these are the only experiments that can measure the produced data. The work also needs to be extended to different fuel types and cladding types such as SiC and FeCrAl based claddings. A combination of datasets for these materials can then be used to analyze accurately predict behavior of critical pellet cladding systems in accident scenario with high heat flux and high thermal loads. This is a BIG unknown as if now.« less

Survival study of natural orifice translumenal endoscopic surgery for rectosigmoid resection using transanal endoscopic microsurgery with or without transgastric endoscopic assistance in a swine model.

PubMed

Sylla, Patricia; Sohn, Dae Kyung; Cizginer, Sevdenur; Konuk, Yusuf; Turner, Brian G; Gee, Denise W; Willingham, Field F; Hsu, Maylee; Mino-Kenudson, Mari; Brugge, William R; Rattner, David W

2010-08-01

The feasibility of transanal rectosigmoid resection with transanal endoscopic microsurgery (TEM) was previously demonstrated in a swine nonsurvival model in which transgastric endoscopic assistance also was shown to extend the length of colon mobilized transanally. A 2-week survival study evaluating transanal endoscopic rectosigmoid resection with stapled colorectal anastomosis was conducted with swine using the transanal approach alone (TEM group, n = 10) or a transanal approach combined with transgastric endoscopic assistance (TEM + TG group, n = 10). Gastrotomies were created using a needleknife and balloon dilation, then closed using prototype T-tags. Outcomes were evaluated and compared between the groups using Student's t-test and Fisher's exact test. Relative to the TEM group, the average length of rectosigmoid mobilized in the TEM + TG group was 15.6 versus 10.5 cm (p < 0.0005), the length of the resected specimen was 9 versus 6.2 cm (p < 0.0005), and the mean operative time was 254.5 versus 97.5 min (p < 0.0005). Intraoperatively, no organ injury or major bleeding was noted. Two T-tag misfires occurred during gastrotomy closure and four small staple line defects requiring transanal repair including one in the TEM group and three in the TEM + TG group (p = 0.2). Postoperatively, there was no mortality, and the animals gained an average of 3.4 lb. Two major complications (10%) were identified at necropsy in the TEM + TG group including an intraabdominal abscess and an abdominal wall hematoma related to T-tag misfire. Gastrotomy closure sites and colorectal anastomoses were all grossly healed, with adhesions noted in 60 and 70% and microabscesses in 50 and 20% of the gastrotomy sites and colorectal anastomoses, respectively. Natural orifice translumenal endoscopic surgery (NOTES) for rectosigmoid resection using TEM with or without transgastric endoscopic assistance is feasible and associated with low morbidity in a porcine survival model. Transgastric assistance significantly prolongs the operative time but extends the length of the rectosigmoid mobilized transanally, with a nonsignificant increase in complication rates related to gastrotomy creation.

Transmission Electron Microscopy as a Tool to Image Bio-Inorganic Nanohybrids: The Case of Phage-Gold Nanocomposites

PubMed Central

Cao, Binrui; Xu, Hong; Mao, Chuanbin

2011-01-01

In recent years, bio-inorganic nanohybrids composed of biological macromolecules and functional inorganic nanomaterials have revealed many unique properties that show promise for the future. Transmission electron microscopy (TEM) is a popular and relatively simple tool that can offer a direct visualization of the nanomaterials with high resolutions. When TEM is applied to visualize bio-inorganic nanohybrids, a treatment of negative staining is necessary due to the presence of biological molecules in the nanohybrids except for those with densely packed inorganic materials. However, the conventional negative-staining procedure for regular biological samples cannot be directly applied to such bio-inorganic nanohybrids. To image a specific bio-inorganic nanohybrid, negative-staining factors such as negative stain type, working pH, staining time, and drying method, should be identified. Currently, no detailed studies have been done to investigate how to adjust negative-staining factors based on specific bio-inorganic nanohybrids. In this study, bacteriophage-gold nanoparticle hybrids were chosen as a model to systematically study the effects of each factor on the negative staining of the nanohybrids. The best staining conditions for gold nanoparticle-phage nanohybrids were obtained and the effects of each factor on the negative staining of general nanohybrids were discussed. This work indicates that with proper staining it is possible to use TEM to directly visualize both biological and inorganic components without introducing any artifact. PMID:21678527

Scalable Methods for Uncertainty Quantification, Data Assimilation and Target Accuracy Assessment for Multi-Physics Advanced Simulation of Light Water Reactors

NASA Astrophysics Data System (ADS)

Khuwaileh, Bassam

High fidelity simulation of nuclear reactors entails large scale applications characterized with high dimensionality and tremendous complexity where various physics models are integrated in the form of coupled models (e.g. neutronic with thermal-hydraulic feedback). Each of the coupled modules represents a high fidelity formulation of the first principles governing the physics of interest. Therefore, new developments in high fidelity multi-physics simulation and the corresponding sensitivity/uncertainty quantification analysis are paramount to the development and competitiveness of reactors achieved through enhanced understanding of the design and safety margins. Accordingly, this dissertation introduces efficient and scalable algorithms for performing efficient Uncertainty Quantification (UQ), Data Assimilation (DA) and Target Accuracy Assessment (TAA) for large scale, multi-physics reactor design and safety problems. This dissertation builds upon previous efforts for adaptive core simulation and reduced order modeling algorithms and extends these efforts towards coupled multi-physics models with feedback. The core idea is to recast the reactor physics analysis in terms of reduced order models. This can be achieved via identifying the important/influential degrees of freedom (DoF) via the subspace analysis, such that the required analysis can be recast by considering the important DoF only. In this dissertation, efficient algorithms for lower dimensional subspace construction have been developed for single physics and multi-physics applications with feedback. Then the reduced subspace is used to solve realistic, large scale forward (UQ) and inverse problems (DA and TAA). Once the elite set of DoF is determined, the uncertainty/sensitivity/target accuracy assessment and data assimilation analysis can be performed accurately and efficiently for large scale, high dimensional multi-physics nuclear engineering applications. Hence, in this work a Karhunen-Loeve (KL) based algorithm previously developed to quantify the uncertainty for single physics models is extended for large scale multi-physics coupled problems with feedback effect. Moreover, a non-linear surrogate based UQ approach is developed, used and compared to performance of the KL approach and brute force Monte Carlo (MC) approach. On the other hand, an efficient Data Assimilation (DA) algorithm is developed to assess information about model's parameters: nuclear data cross-sections and thermal-hydraulics parameters. Two improvements are introduced in order to perform DA on the high dimensional problems. First, a goal-oriented surrogate model can be used to replace the original models in the depletion sequence (MPACT -- COBRA-TF - ORIGEN). Second, approximating the complex and high dimensional solution space with a lower dimensional subspace makes the sampling process necessary for DA possible for high dimensional problems. Moreover, safety analysis and design optimization depend on the accurate prediction of various reactor attributes. Predictions can be enhanced by reducing the uncertainty associated with the attributes of interest. Accordingly, an inverse problem can be defined and solved to assess the contributions from sources of uncertainty; and experimental effort can be subsequently directed to further improve the uncertainty associated with these sources. In this dissertation a subspace-based gradient-free and nonlinear algorithm for inverse uncertainty quantification namely the Target Accuracy Assessment (TAA) has been developed and tested. The ideas proposed in this dissertation were first validated using lattice physics applications simulated using SCALE6.1 package (Pressurized Water Reactor (PWR) and Boiling Water Reactor (BWR) lattice models). Ultimately, the algorithms proposed her were applied to perform UQ and DA for assembly level (CASL progression problem number 6) and core wide problems representing Watts Bar Nuclear 1 (WBN1) for cycle 1 of depletion (CASL Progression Problem Number 9) modeled via simulated using VERA-CS which consists of several multi-physics coupled models. The analysis and algorithms developed in this dissertation were encoded and implemented in a newly developed tool kit algorithms for Reduced Order Modeling based Uncertainty/Sensitivity Estimator (ROMUSE).

Multi-Physics Modeling of Molten Salt Transport in Solid Oxide Membrane (SOM) Electrolysis and Recycling of Magnesium

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

Powell, Adam; Pati, Soobhankar

2012-03-11

Solid Oxide Membrane (SOM) Electrolysis is a new energy-efficient zero-emissions process for producing high-purity magnesium and high-purity oxygen directly from industrial-grade MgO. SOM Recycling combines SOM electrolysis with electrorefining, continuously and efficiently producing high-purity magnesium from low-purity partially oxidized scrap. In both processes, electrolysis and/or electrorefining take place in the crucible, where raw material is continuously fed into the molten salt electrolyte, producing magnesium vapor at the cathode and oxygen at the inert anode inside the SOM. This paper describes a three-dimensional multi-physics finite-element model of ionic current, fluid flow driven by argon bubbling and thermal buoyancy, and heat andmore » mass transport in the crucible. The model predicts the effects of stirring on the anode boundary layer and its time scale of formation, and the effect of natural convection at the outer wall. MOxST has developed this model as a tool for scale-up design of these closely-related processes.« less

Advanced Multi-Physics (AMP)

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

Philip, Bobby

2012-06-01

The Advanced Multi-Physics (AMP) code, in its present form, will allow a user to build a multi-physics application code for existing mechanics and diffusion operators and extend them with user-defined material models and new physics operators. There are examples that demonstrate mechanics, thermo-mechanics, coupled diffusion, and mechanical contact. The AMP code is designed to leverage a variety of mathematical solvers (PETSc, Trilinos, SUNDIALS, and AMP solvers) and mesh databases (LibMesh and AMP) in a consistent interchangeable approach.

General linear methods and friends: Toward efficient solutions of multiphysics problems

NASA Astrophysics Data System (ADS)

Sandu, Adrian

2017-07-01

Time dependent multiphysics partial differential equations are of great practical importance as they model diverse phenomena that appear in mechanical and chemical engineering, aeronautics, astrophysics, meteorology and oceanography, financial modeling, environmental sciences, etc. There is no single best time discretization for the complex multiphysics systems of practical interest. We discuss "multimethod" approaches that combine different time steps and discretizations using the rigourous frameworks provided by Partitioned General Linear Methods and Generalize-structure Additive Runge Kutta Methods..

Design and multi-physics optimization of rotary MRF brakes

NASA Astrophysics Data System (ADS)

Topcu, Okan; Taşcıoğlu, Yiğit; Konukseven, Erhan İlhan

2018-03-01

Particle swarm optimization (PSO) is a popular method to solve the optimization problems. However, calculations for each particle will be excessive when the number of particles and complexity of the problem increases. As a result, the execution speed will be too slow to achieve the optimized solution. Thus, this paper proposes an automated design and optimization method for rotary MRF brakes and similar multi-physics problems. A modified PSO algorithm is developed for solving multi-physics engineering optimization problems. The difference between the proposed method and the conventional PSO is to split up the original single population into several subpopulations according to the division of labor. The distribution of tasks and the transfer of information to the next party have been inspired by behaviors of a hunting party. Simulation results show that the proposed modified PSO algorithm can overcome the problem of heavy computational burden of multi-physics problems while improving the accuracy. Wire type, MR fluid type, magnetic core material, and ideal current inputs have been determined by the optimization process. To the best of the authors' knowledge, this multi-physics approach is novel for optimizing rotary MRF brakes and the developed PSO algorithm is capable of solving other multi-physics engineering optimization problems. The proposed method has showed both better performance compared to the conventional PSO and also has provided small, lightweight, high impedance rotary MRF brake designs.

MODELING MICROBUBBLE DYNAMICS IN BIOMEDICAL APPLICATIONS*

PubMed Central

CHAHINE, Georges L.; HSIAO, Chao-Tsung

2012-01-01

Controlling microbubble dynamics to produce desirable biomedical outcomes when and where necessary and avoid deleterious effects requires advanced knowledge, which can be achieved only through a combination of experimental and numerical/analytical techniques. The present communication presents a multi-physics approach to study the dynamics combining viscous- in-viscid effects, liquid and structure dynamics, and multi bubble interaction. While complex numerical tools are developed and used, the study aims at identifying the key parameters influencing the dynamics, which need to be included in simpler models. PMID:22833696

Tailoring microfluidic systems for organ-like cell culture applications using multiphysics simulations

NASA Astrophysics Data System (ADS)

Hagmeyer, Britta; Schütte, Julia; Böttger, Jan; Gebhardt, Rolf; Stelzle, Martin

2013-03-01

Replacing animal testing with in vitro cocultures of human cells is a long-term goal in pre-clinical drug tests used to gain reliable insight into drug-induced cell toxicity. However, current state-of-the-art 2D or 3D cell cultures aiming at mimicking human organs in vitro still lack organ-like morphology and perfusion and thus organ-like functions. To this end, microfluidic systems enable construction of cell culture devices which can be designed to more closely resemble the smallest functional unit of organs. Multiphysics simulations represent a powerful tool to study the various relevant physical phenomena and their impact on functionality inside microfluidic structures. This is particularly useful as it allows for assessment of system functions already during the design stage prior to actual chip fabrication. In the HepaChip®, dielectrophoretic forces are used to assemble human hepatocytes and human endothelial cells in liver sinusoid-like structures. Numerical simulations of flow distribution, shear stress, electrical fields and heat dissipation inside the cell assembly chambers as well as surface wetting and surface tension effects during filling of the microchannel network supported the design of this human-liver-on-chip microfluidic system for cell culture applications. Based on the device design resulting thereof, a prototype chip was injection-moulded in COP (cyclic olefin polymer). Functional hepatocyte and endothelial cell cocultures were established inside the HepaChip® showing excellent metabolic and secretory performance.

Electron and Fluorescence Microscopy of Extracellular Glucan and Aryl-Alcohol Oxidase during Wheat-Straw Degradation by Pleurotus eryngii

PubMed Central

Barrasa, J. M.; Gutiérrez, A.; Escaso, V.; Guillén, F.; Martínez, M. J.; Martínez, A. T.

1998-01-01

The ligninolytic fungus Pleurotus eryngii grown in liquid medium secreted extracellular polysaccharide (87% glucose) and the H2O2-producing enzyme aryl-alcohol oxidase (AAO). The production of both was stimulated by wheat-straw. Polyclonal antibodies against purified AAO were obtained, and a complex of glucanase and colloidal gold was prepared. With these tools, the localization of AAO and extracellular glucan in mycelium from liquid medium and straw degraded under solid-state fermentation conditions was investigated by transmission electron microscopy (TEM) and fluorescence microscopy. These studies revealed that P. eryngii produces a hyphal sheath consisting of a thin glucan layer. This sheath appeared to be involved in both mycelial adhesion to the straw cell wall during degradation and AAO immobilization on hyphal surfaces, with the latter evidenced by double labeling. AAO distribution during differential degradation of straw tissues was observed by immunofluorescence microscopy. Finally, TEM immunogold studies confirmed that AAO penetrates the plant cell wall during P. eryngii degradation of wheat straw. PMID:9435085

Multiscale Concrete Modeling of Aging Degradation

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

Hammi, Yousseff; Gullett, Philipp; Horstemeyer, Mark F.

In this work a numerical finite element framework is implemented to enable the integration of coupled multiscale and multiphysics transport processes. A User Element subroutine (UEL) in Abaqus is used to simultaneously solve stress equilibrium, heat conduction, and multiple diffusion equations for 2D and 3D linear and quadratic elements. Transport processes in concrete structures and their degradation mechanisms are presented along with the discretization of the governing equations. The multiphysics modeling framework is theoretically extended to the linear elastic fracture mechanics (LEFM) by introducing the eXtended Finite Element Method (XFEM) and based on the XFEM user element implementation of Ginermore » et al. [2009]. A damage model that takes into account the damage contribution from the different degradation mechanisms is theoretically developed. The total contribution of damage is forwarded to a Multi-Stage Fatigue (MSF) model to enable the assessment of the fatigue life and the deterioration of reinforced concrete structures in a nuclear power plant. Finally, two examples are presented to illustrate the developed multiphysics user element implementation and the XFEM implementation of Giner et al. [2009].« less

Refractory heartburn: comparison of intercellular space diameter in documented GERD vs. functional heartburn.

PubMed

Vela, Marcelo F; Craft, Brandon M; Sharma, Neeraj; Freeman, Janice; Hazen-Martin, Debra

2011-05-01

Refractory heartburn despite acid suppression may be explained by ongoing gastroesophageal reflux disease (GERD) or functional heartburn (FH), i.e., symptoms without evidence of GERD. Impedance-pH monitoring (impedance-pH) detects acid and nonacid reflux and is useful for evaluating acid-suppressed, refractory patients. Intercellular space diameter (ISD) of esophageal epithelium measured by transmission electron microscopy (TEM) is a marker of epithelial damage present in both erosive and nonerosive reflux disease. ISD has not been used to study refractory heartburn or FH. Our aim was to compare ISD in healthy controls and refractory heartburn patients with GERD and FH. In refractory heartburn patients (heartburn more than twice/week for at least 2 months despite proton pump inhibitor (PPI) b.i.d.), erosive esophagitis and/or abnormal impedance-pH (increased acid exposure or positive symptom index) defined GERD; normal esophagogastroduodenoscopy (EGD)/impedance-pH defined FH. Asymptomatic, healthy controls had normal EGD and pH-metry. Mean ISD in each subject, determined by blinded TEM of esophageal biopsies, was the average of 100 measurements (10 measurements in each of 10 micrographs). In all, 11 healthy controls, 11 FH, and 15 GERD patients were studied. Mean ISD was significantly higher in GERD compared with controls (0.87 vs. 0.32 μm, P=0.003) and FH (0.87 vs. 0.42 μm, P=0.012). Mean ISD was similar in FH and controls (0.42 vs. 0.32 μm, P=0.1). The proportion of patients with abnormal ISD was significantly higher for GERD compared with FH (60 vs. 9%, P=0.014). ISD is increased in refractory heartburn patients with GERD but not those with FH. Our findings suggest that measurement of ISD by TEM might be a useful tool to distinguish GERD from FH in patients with refractory heartburn.

Revealing 3D Ultrastructure and Morphology of Stem Cell Spheroids by Electron Microscopy.

PubMed

Jaros, Josef; Petrov, Michal; Tesarova, Marketa; Hampl, Ales

2017-01-01

Cell culture methods have been developed in efforts to produce biologically relevant systems for developmental and disease modeling, and appropriate analytical tools are essential. Knowledge of ultrastructural characteristics represents the basis to reveal in situ the cellular morphology, cell-cell interactions, organelle distribution, niches in which cells reside, and many more. The traditional method for 3D visualization of ultrastructural components, serial sectioning using transmission electron microscopy (TEM), is very labor-intensive due to contentious TEM slice preparation and subsequent image processing of the whole collection. In this chapter, we present serial block-face scanning electron microscopy, together with complex methodology for spheroid formation, contrasting of cellular compartments, image processing, and 3D visualization. The described technique is effective for detailed morphological analysis of stem cell spheroids, organoids, as well as organotypic cell cultures.

Consistent multiphysics simulation of a central tower CSP plant as applied to ISTORE

NASA Astrophysics Data System (ADS)

Votyakov, Evgeny V.; Papanicolas, Costas N.

2017-06-01

We present a unified consistent multiphysics approach to model a central tower CSP plant. The framework for the model includes Monte Carlo ray tracing (RT) and computational fluid dynamics (CFD) components utilizing the OpenFOAM C++ software library. The RT part works effectively with complex surfaces of engineering design given in CAD formats. The CFD simulation, which is based on 3D Navier-Stokes equations, takes into account all possible heat transfer mechanisms: radiation, conduction, and convection. Utilizing this package, the solar field of the experimental Platform for Research, Observation, and TEchnological Applications in Solar Energy (PROTEAS) and the Integrated STOrage and Receiver (ISTORE), developed at the Cyprus Institute, are being examined.

Molecular Optics Nonlinear Optical Processes in Organic and Polymeric Crystals and Films. Part 1

DTIC Science & Technology

1991-11-01

Cycio-Octateraene ........... .93 Figure3.3; THG Dispersion Curve for Cyclo-Octateraene .... ......... 94 Figure3.4; Bloch Vector in Pauli Matrix Space... Jung , P. and Hanggi, P, Phys. Rev. Lett. 61, 11 (1989) I [90] Guckenheimer, J. and Holmes, P., Nonlinear Oscillations, Dynamical Sys- tems, and...identity matrix and Pauli matrices. p(t) = 1(1 + fr(t)F * 5) (3.5.6) I where the 3-vector FF is the linear coefficients of the Pauli matrices and is

A mathematical model for predicting photo-induced voltage and photostriction of PLZT with coupled multi-physics fields and its application

NASA Astrophysics Data System (ADS)

Huang, J. H.; Wang, X. J.; Wang, J.

2016-02-01

The primary purpose of this paper is to propose a mathematical model of PLZT ceramic with coupled multi-physics fields, e.g. thermal, electric, mechanical and light field. To this end, the coupling relationships of multi-physics fields and the mechanism of some effects resulting in the photostrictive effect are analyzed theoretically, based on which a mathematical model considering coupled multi-physics fields is established. According to the analysis and experimental results, the mathematical model can explain the hysteresis phenomenon and the variation trend of the photo-induced voltage very well and is in agreement with the experimental curves. In addition, the PLZT bimorph is applied as an energy transducer for a photovoltaic-electrostatic hybrid actuated micromirror, and the relation of the rotation angle and the photo-induced voltage is discussed based on the novel photostrictive mathematical model.

Multiscale Multiphysics Developments for Accident Tolerant Fuel Concepts

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

Gamble, K. A.; Hales, J. D.; Yu, J.

2015-09-01

U 3Si 2 and iron-chromium-aluminum (Fe-Cr-Al) alloys are two of many proposed accident-tolerant fuel concepts for the fuel and cladding, respectively. The behavior of these materials under normal operating and accident reactor conditions is not well known. As part of the Department of Energy’s Accident Tolerant Fuel High Impact Problem program significant work has been conducted to investigate the U 3Si 2 and FeCrAl behavior under reactor conditions. This report presents the multiscale and multiphysics effort completed in fiscal year 2015. The report is split into four major categories including Density Functional Theory Developments, Molecular Dynamics Developments, Mesoscale Developments, andmore » Engineering Scale Developments. The work shown here is a compilation of a collaborative effort between Idaho National Laboratory, Los Alamos National Laboratory, Argonne National Laboratory and Anatech Corp.« less

Puzzling Intergrowth in Cerium Nitridophosphate Unraveled by Joint Venture of Aberration-Corrected Scanning Transmission Electron Microscopy and Synchrotron Diffraction.

PubMed

Kloß, Simon D; Neudert, Lukas; Döblinger, Markus; Nentwig, Markus; Oeckler, Oliver; Schnick, Wolfgang

2017-09-13

Thorough investigation of nitridophosphates has rapidly accelerated through development of new synthesis strategies. Here we used the recently developed high-pressure metathesis to prepare the first rare-earth metal nitridophosphate, Ce 4 Li 3 P 18 N 35 , with a high degree of condensation >1/2. Ce 4 Li 3 P 18 N 35 consists of an unprecedented hexagonal framework of PN 4 tetrahedra and exhibits blue luminescence peaking at 455 nm. Transmission electron microscopy (TEM) revealed two intergrown domains with slight structural and compositional variations. One domain type shows extremely weak superstructure phenomena revealed by atomic-resolution scanning TEM (STEM) and single-crystal diffraction using synchrotron radiation. The corresponding superstructure involves a modulated displacement of Ce atoms in channels of tetrahedra 6-rings. The displacement model was refined in a supercell as well as in an equivalent commensurate (3 + 2)-dimensional description in superspace group P6 3 (α, β, 0)0(-α - β, α, 0)0. In the second domain type, STEM revealed disordered vacancies of the same Ce atoms that were modulated in the first domain type, leading to sum formula Ce 4-0.5x Li 3 P 18 N 35-1.5x O 1.5x (x ≈ 0.72) of the average structure. The examination of these structural intricacies may indicate the detection limit of synchrotron diffraction and TEM. We discuss the occurrence of either Ce displacements or Ce vacancies that induce the incorporation of O as necessary stabilization of the crystal structure.

Optimisation of the Photonic Efficiency of TiO2 Decorated on MWCNTs for Methylene Blue Photodegradation.

PubMed

Abdullahi, Nura; Saion, Elias; Shaari, Abdul Halim; Al-Hada, Naif Mohammed; Keiteb, Aysar

2015-01-01

MWCNTs/TiO2 nanocomposite was prepared by oxidising MWCNT in H2SO4/HNO3 then decorating it with TiO2-p25 nanopowder. The composites were characterised using XRD, TEM, FT-IR PL and UV-vis spectroscopy. The TEM images have shown TiO2 nanoparticles immobilised onto the sidewalls of the MWCNTs. The UV-vis spectrum confirms that the nanocomposites can significantly absorb more light in the visible regions compared with the commercial TiO2 (P25). The catalytic activity of these nanocomposites was determined by photooxidation of MB aqueous solution in the presence of visible light. The MWCNTs/TiO2 (1:3) mass ratio showed maximum degradation efficiency. However, its activity was more favourable in alkaline and a neutral pH than an acidic medium.

Absorption and emission properties of photonic crystals and metamaterials

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

Peng, Lili

We study the emission and absorption properties of photonic crystals and metamaterials using Comsol Multiphysics and Ansoft HFSS as simulation tools. We calculate the emission properties of metallic designs using drude model and the results illustrate that an appropriate termination of the surface of the metallic structure can significantly increase the absorption and therefore the thermal emissivity. We investigate the spontaneous emission rate modifications that occur for emitters inside two-dimensional photonic crystals and find the isotropic and directional emissions with respect to different frequencies as we have expected.

Multi-physics modelling approach for oscillatory microengines: application for a microStirling generator design

NASA Astrophysics Data System (ADS)

Formosa, F.; Fréchette, L. G.

2015-12-01

An electrical circuit equivalent (ECE) approach has been set up allowing elementary oscillatory microengine components to be modelled. They cover gas channel/chamber thermodynamics, viscosity and thermal effects, mechanical structure and electromechanical transducers. The proposed tool has been validated on a centimeter scale Free Piston membrane Stirling engine [1]. We propose here new developments taking into account scaling effects to establish models suitable for any microengines. They are based on simplifications derived from the comparison of the hydraulic radius with respect to the viscous and thermal penetration depths respectively).

Impact of Representing Model Error in a Hybrid Ensemble-Variational Data Assimilation System for Track Forecast of Tropical Cyclones over the Bay of Bengal

NASA Astrophysics Data System (ADS)

Kutty, Govindan; Muraleedharan, Rohit; Kesarkar, Amit P.

2018-03-01

Uncertainties in the numerical weather prediction models are generally not well-represented in ensemble-based data assimilation (DA) systems. The performance of an ensemble-based DA system becomes suboptimal, if the sources of error are undersampled in the forecast system. The present study examines the effect of accounting for model error treatments in the hybrid ensemble transform Kalman filter—three-dimensional variational (3DVAR) DA system (hybrid) in the track forecast of two tropical cyclones viz. Hudhud and Thane, formed over the Bay of Bengal, using Advanced Research Weather Research and Forecasting (ARW-WRF) model. We investigated the effect of two types of model error treatment schemes and their combination on the hybrid DA system; (i) multiphysics approach, which uses different combination of cumulus, microphysics and planetary boundary layer schemes, (ii) stochastic kinetic energy backscatter (SKEB) scheme, which perturbs the horizontal wind and potential temperature tendencies, (iii) a combination of both multiphysics and SKEB scheme. Substantial improvements are noticed in the track positions of both the cyclones, when flow-dependent ensemble covariance is used in 3DVAR framework. Explicit model error representation is found to be beneficial in treating the underdispersive ensembles. Among the model error schemes used in this study, a combination of multiphysics and SKEB schemes has outperformed the other two schemes with improved track forecast for both the tropical cyclones.

Navy Maintenance: The P-3 Aircraft Overhaul Program Can Be Improved.

DTIC Science & Technology

1987-06-01

Air Sys- tems Command’s Naval Aviation Logistics Center, we obtained data on aircraft turnaround times, mobilization requirements, and aircraft over...480 561 637 P-3 Workload as a Percent of 23 22 25 27 Total FINDING Z: Aplicability of Procedural Changes To Other Aircraft. The GAO observed that the

Baseline Design of a 5-7 kJ KrF Laser Facility for Direct Illumination ICF Experiments.

DTIC Science & Technology

1985-12-31

energies of 5-7 kJ, pulsewidths 5 ns, and broadband (> 20 45) capabilities, the proposed sys - tem is intended primarily for laser-plasma experiments...optics with mounts and align- ment hardware, (3) building, (4) chamber system, (5) oscillator, (6) I.S.I. array, and (7) control sys - tem. Each component...hence, for a spherical mirror, 2 - COA 3pDG (B14) NABE - NOMA 16f2?( Astigmatisnr~ (78)MAx 2CID92 -- (VL8)mlN; hence, for either a spherical mirror or

Musculoskeletal Modeling of the Lumbar Spine to Explore Functional Interactions between Back Muscle Loads and Intervertebral Disk Multiphysics

PubMed Central

Toumanidou, Themis; Noailly, Jérôme

2015-01-01

During daily activities, complex biomechanical interactions influence the biophysical regulation of intervertebral disks (IVDs), and transfers of mechanical loads are largely controlled by the stabilizing action of spine muscles. Muscle and other internal forces cannot be easily measured directly in the lumbar spine. Hence, biomechanical models are important tools for the evaluation of the loads in those tissues involved in low-back disorders. Muscle force estimations in most musculoskeletal models mainly rely, however, on inverse calculations and static optimizations that limit the predictive power of the numerical calculations. In order to contribute to the development of predictive systems, we coupled a predictive muscle model with the passive resistance of the spine tissues, in a L3–S1 musculoskeletal finite element model with osmo-poromechanical IVD descriptions. The model included 46 fascicles of the major back muscles that act on the lower spine. The muscle model interacted with activity-related loads imposed to the osteoligamentous structure, as standing position and night rest were simulated through distributed upper body mass and free IVD swelling, respectively. Calculations led to intradiscal pressure values within ranges of values measured in vivo. Disk swelling led to muscle activation and muscle force distributions that seemed particularly appropriate to counterbalance the anterior body mass effect in standing. Our simulations pointed out a likely existence of a functional balance between stretch-induced muscle activation and IVD multiphysics toward improved mechanical stability of the lumbar spine understanding. This balance suggests that proper night rest contributes to mechanically strengthen the spine during day activity. PMID:26301218

Prediction of the Lorentz Force Detuning and pressure sensitivity for a Pillbox cavity

DOE PAGES

Parise, M.

2018-05-18

The Lorentz Force Detuning (LFD) and the pressure sensitivity are two critical concerns during the design of a Superconducting Radio Frequency (SRF) cavity resonator. The mechanical deformation of the bare Niobium cavity walls, due to the electromagnetic fields and fluctuation of the external pressure in the Helium bath, can dynamically and statically detune the frequency of the cavity and can cause beam phase errors. The frequency shift can be compensated by additional RF power, that is required to maintain the accelerating gradient, or by sophisticated tuning mechanisms and control-compensation algorithms. Passive stiffening is one of the simplest and most effectivemore » tools that can be used during the early design phase, capable of satisfying the Radio Frequency (RF) requisites. This approach requires several multiphysics simulations as well as a deep mechanical and RF knowledge of the phenomena involved. In this paper, is presented a new numerical model for a pillbox cavity that can predict the frequency shifts caused by the LFD and external pressure. This method allows to greatly reduce the computational effort, which is necessary to meet the RF requirements and to keep track of the frequency shifts without using the time consuming multiphysics simulations.« less

Prediction of the Lorentz Force Detuning and pressure sensitivity for a Pillbox cavity

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

Parise, M.

The Lorentz Force Detuning (LFD) and the pressure sensitivity are two critical concerns during the design of a Superconducting Radio Frequency (SRF) cavity resonator. The mechanical deformation of the bare Niobium cavity walls, due to the electromagnetic fields and fluctuation of the external pressure in the Helium bath, can dynamically and statically detune the frequency of the cavity and can cause beam phase errors. The frequency shift can be compensated by additional RF power, that is required to maintain the accelerating gradient, or by sophisticated tuning mechanisms and control-compensation algorithms. Passive stiffening is one of the simplest and most effectivemore » tools that can be used during the early design phase, capable of satisfying the Radio Frequency (RF) requisites. This approach requires several multiphysics simulations as well as a deep mechanical and RF knowledge of the phenomena involved. In this paper, is presented a new numerical model for a pillbox cavity that can predict the frequency shifts caused by the LFD and external pressure. This method allows to greatly reduce the computational effort, which is necessary to meet the RF requirements and to keep track of the frequency shifts without using the time consuming multiphysics simulations.« less

Prediction of the Lorentz Force Detuning and pressure sensitivity for a Pillbox cavity

NASA Astrophysics Data System (ADS)

Parise, M.

2018-05-01

The Lorentz Force Detuning (LFD) and the pressure sensitivity are two critical concerns during the design of a Superconducting Radio Frequency (SRF) cavity resonator. The mechanical deformation of the bare Niobium cavity walls, due to the electromagnetic fields and fluctuation of the external pressure in the Helium bath, can dynamically and statically detune the frequency of the cavity and can cause beam phase errors. The frequency shift can be compensated by additional RF power, that is required to maintain the accelerating gradient, or by sophisticated tuning mechanisms and control-compensation algorithms. Passive stiffening is one of the simplest and most effective tools that can be used during the early design phase, capable of satisfying the Radio Frequency (RF) requisites. This approach requires several multiphysics simulations as well as a deep mechanical and RF knowledge of the phenomena involved. In this paper, is presented a new numerical model for a pillbox cavity that can predict the frequency shifts caused by the LFD and external pressure. This method allows to greatly reduce the computational effort, which is necessary to meet the RF requirements and to keep track of the frequency shifts without using the time consuming multiphysics simulations.

Unstructured LES of Reacting Multiphase Flows in Realistic Gas Turbine Combustors

NASA Technical Reports Server (NTRS)

Ham, Frank; Apte, Sourabh; Iaccarino, Gianluca; Wu, Xiao-Hua; Herrmann, Marcus; Constantinescu, George; Mahesh, Krishnan; Moin, Parviz

2003-01-01

As part of the Accelerated Strategic Computing Initiative (ASCI) program, an accurate and robust simulation tool is being developed to perform high-fidelity LES studies of multiphase, multiscale turbulent reacting flows in aircraft gas turbine combustor configurations using hybrid unstructured grids. In the combustor, pressurized gas from the upstream compressor is reacted with atomized liquid fuel to produce the combustion products that drive the downstream turbine. The Large Eddy Simulation (LES) approach is used to simulate the combustor because of its demonstrated superiority over RANS in predicting turbulent mixing, which is central to combustion. This paper summarizes the accomplishments of the combustor group over the past year, concentrating mainly on the two major milestones achieved this year: 1) Large scale simulation: A major rewrite and redesign of the flagship unstructured LES code has allowed the group to perform large eddy simulations of the complete combustor geometry (all 18 injectors) with over 100 million control volumes; 2) Multi-physics simulation in complex geometry: The first multi-physics simulations including fuel spray breakup, coalescence, evaporation, and combustion are now being performed in a single periodic sector (1/18th) of an actual Pratt & Whitney combustor geometry.

Prediction of the Lorentz Force Detuning and Pressure Sensitivity for a Pillbox Cavity

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

Parise, M.

2018-04-23

The Lorentz Force Detuning (LFD) and the pressure sensitivity are two critical concerns during the design of a Superconducting Radio Frequency (SRF) cavity resonator. The mechanical deformation of the bare Niobium cavity walls, due to the electromagnetic fields and fluctuation of the external pressure in the Helium bath, can dynamically and statically detune the frequency of the cavity and can cause beam phase errors. The frequency shift can be compensated by additional RF power, that is required to maintain the accelerating gradient, or by sophisticated tuning mechanisms and control-compensation algorithms. Passive stiffening is one of the simplest and most effectivemore » tools that can be used during the early design phase, capable of satisfying the Radio Frequency (RF) requisites. This approach requires several multiphysics simulations as well as a deep mechanical and RF knowledge of the phenomena involved. In this paper, is presented a new numerical model for a pillbox cavity that can predict the frequency shifts caused by the LFD and external pressure. This method allows to greatly reduce the computational effort, which is necessary to meet the RF requirements and to keep track of the frequency shifts without using the time consuming multiphysics simulations.« less

Studying the Effect of Deposition Conditions on the Performance and Reliability of MEMS Gas Sensors

PubMed Central

Sadek, Khaled; Moussa, Walied

2007-01-01

In this paper, the reliability of a micro-electro-mechanical system (MEMS)-based gas sensor has been investigated using Three Dimensional (3D) coupled multiphysics Finite Element (FE) analysis. The coupled field analysis involved a two-way sequential electrothermal fields coupling and a one-way sequential thermal-structural fields coupling. An automated substructuring code was developed to reduce the computational cost involved in simulating this complicated coupled multiphysics FE analysis by up to 76 percent. The substructured multiphysics model was then used to conduct a parametric study of the MEMS-based gas sensor performance in response to the variations expected in the thermal and mechanical characteristics of thin films layers composing the sensing MEMS device generated at various stages of the microfabrication process. Whenever possible, the appropriate deposition variables were correlated in the current work to the design parameters, with good accuracy, for optimum operation conditions of the gas sensor. This is used to establish a set of design rules, using linear and nonlinear empirical relations, which can be utilized in real-time at the design and development decision-making stages of similar gas sensors to enable the microfabrication of these sensors with reliable operation.

Modeling heat stress effect on Holstein cows under hot and dry conditions: selection tools.

PubMed

Carabaño, M J; Bachagha, K; Ramón, M; Díaz, C

2014-12-01

Data from milk recording of Holstein-Friesian cows together with weather information from 2 regions in Southern Spain were used to define the models that can better describe heat stress response for production traits and somatic cell score (SCS). Two sets of analyses were performed, one aimed at defining the population phenotypic response and the other at studying the genetic components. The first involved 2,514,762 test-day records from up to 5 lactations of 128,112 cows. Two models, one fitting a comfort threshold for temperature and a slope of decay after the threshold, and the other a cubic Legendre polynomial (LP) model were tested. Average (TAVE) and maximum daily temperatures were alternatively considered as covariates. The LP model using TAVE as covariate showed the best goodness of fit for all traits. Estimated rates of decay from this model for production at 25 and 34°C were 36 and 170, 3.8 and 3.0, and 3.9 and 8.2g/d per degree Celsius for milk, fat, and protein yield, respectively. In the second set of analyses, a sample of 280,958 test-day records from first lactations of 29,114 cows was used. Random regression models including quadratic or cubic LP regressions (TEM_) on TAVE or a fixed threshold and an unknown slope (DUMMY), including or not cubic regressions on days in milk (DIM3_), were tested. For milk and SCS, the best models were the DIM3_ models. In contrast, for fat and protein yield, the best model was TEM3. The DIM3DUMMY models showed similar performance to DIM3TEM3. The estimated genetic correlations between the same trait under cold and hot temperatures (ρ) indicated the existence of a large genotype by environment interaction for fat (ρ=0.53 for model TEM3) and protein yield (ρ around 0.6 for DIM3TEM3) and for SCS (ρ=0.64 for model DIM3TEM3), and a small genotype by environment interaction for milk (ρ over 0.8). The eigendecomposition of the additive genetic covariance matrix from model TEM3 showed the existence of a dominant component, a constant term that is not affected by temperature, representing from 64% of the variation for SCS to 91% of the variation for milk. The second component, showing a flat pattern at intermediate temperatures and increasing or decreasing slopes for the extremes, gathered 15, 11, and 24% of the variation for fat and protein yield and SCS, respectively. This component could be further evaluated as a selection criterion for heat tolerance independently of the production level. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Investigation of Structure, Properties and Deformation Mechanisms of Elevated Temperature Al Alloys with High Specific Properties

DTIC Science & Technology

2004-01-31

as well by TEM investigation. This fact cardinally changes the type of contrast in TEM images of particles (Fig. 6.21, a) as well as the appearance of...Soc. Jap. – 1987. – 56, No. 3. – p. 982-988. 20. Pérez-Campos R., Pérez-Ramirez J.G., Gómez A., Herrera R., José-Yacamán M. On the structure of the

Effect of diagnosis and treatment of clinical endometritis based on vaginal discharge score grading system in postpartum Holstein cows

PubMed Central

OKAWA, Hiroaki; FUJIKURA, Atsushi; WIJAYAGUNAWARDANE, Missaka M.P.; VOS, Peter L.A.M.; TANIGUCHI, Masayasu; TAKAGI, Mitsuhiro

2017-01-01

In this study, the prevalence, effectiveness of diagnosis, and treatment based on vaginal discharge score (VDS) of clinical endometritis in cattle were evaluated. To detect clinical endometritis and classify its severity, vaginoscopy was performed during 21 to 60 days postpartum in 164 Holstein cows consisting of 229 lactations. Groups were defined using the 4-point VDS scale. Study groups included the following: non-endometritis (VDS=0; no/clear mucus; NEM group; n=168); mild endometritis, no treatment (VDS=1; mucus containing flecks of white/off-white pus; NTR group; n=30); and severe endometritis, treated with PGF2α (VDS≥2; discharge containing <50% pus; and VDS=3; discharge containing >50% pus, and fluid or uterine horn asymmetry; TEM group; n=31). Cows treated with PGF2α that did not recover (VDS≥1, n=5) received intrauterine procaine penicillin and streptomycin. Prevalence of clinical endometritis (VDS≥1) was 26.6%. The NTR group required significantly more artificial inseminations per pregnancy than NEM and TEM groups (2.8 ± 1.8 vs 2.0 ± 1.3, 1.9 ± 0.8, P<0.05). In survival analysis, the proportion of non-pregnant cows was higher in the NTR group compared to the NEM (P=0.012) and TEM (P=0.076) groups. In the TEM group, calving to first artificial insemination interval tended to be higher in cows treated 41 to 60 days postpartum than cows treated 29 to 40 days postpartum (97.2 ± 27.1 vs 74.4 ± 19.7, P=0.084). Our study suggests that cows with VDS=1 may require treatment to recover fertility. Diagnosis and treatment of clinical endometritis based on a VDS grading system may improve dairy herd reproductive performance. PMID:28740032

Effect of diagnosis and treatment of clinical endometritis based on vaginal discharge score grading system in postpartum Holstein cows.

PubMed

Okawa, Hiroaki; Fujikura, Atsushi; Wijayagunawardane, Missaka M P; Vos, Peter L A M; Taniguchi, Masayasu; Takagi, Mitsuhiro

2017-09-12

In this study, the prevalence, effectiveness of diagnosis, and treatment based on vaginal discharge score (VDS) of clinical endometritis in cattle were evaluated. To detect clinical endometritis and classify its severity, vaginoscopy was performed during 21 to 60 days postpartum in 164 Holstein cows consisting of 229 lactations. Groups were defined using the 4-point VDS scale. Study groups included the following: non-endometritis (VDS=0; no/clear mucus; NEM group; n=168); mild endometritis, no treatment (VDS=1; mucus containing flecks of white/off-white pus; NTR group; n=30); and severe endometritis, treated with PGF2α (VDS≥2; discharge containing <50% pus; and VDS=3; discharge containing >50% pus, and fluid or uterine horn asymmetry; TEM group; n=31). Cows treated with PGF2α that did not recover (VDS≥1, n=5) received intrauterine procaine penicillin and streptomycin. Prevalence of clinical endometritis (VDS≥1) was 26.6%. The NTR group required significantly more artificial inseminations per pregnancy than NEM and TEM groups (2.8 ± 1.8 vs 2.0 ± 1.3, 1.9 ± 0.8, P<0.05). In survival analysis, the proportion of non-pregnant cows was higher in the NTR group compared to the NEM (P=0.012) and TEM (P=0.076) groups. In the TEM group, calving to first artificial insemination interval tended to be higher in cows treated 41 to 60 days postpartum than cows treated 29 to 40 days postpartum (97.2 ± 27.1 vs 74.4 ± 19.7, P=0.084). Our study suggests that cows with VDS=1 may require treatment to recover fertility. Diagnosis and treatment of clinical endometritis based on a VDS grading system may improve dairy herd reproductive performance.

Numerical modeling of continuous flow microwave heating: a critical comparison of COMSOL and ANSYS.

PubMed

Salvi, D; Boldor, Dorin; Ortego, J; Aita, G M; Sabliov, C M

2010-01-01

Numerical models were developed to simulate temperature profiles in Newtonian fluids during continuous flow microwave heating by one way coupling electromagnetism, fluid flow, and heat transport in ANSYS 8.0 and COMSOL Multiphysics v3.4. Comparison of the results from the COMSOL model with the results from a pre-developed and validated ANSYS model ensured accuracy of the COMSOL model. Prediction of power Loss by both models was in close agreement (5-13% variation) and the predicted temperature profiles were similar. COMSOL provided a flexible model setup whereas ANSYS required coupling incompatible elements to transfer load between electromagnetic, fluid flow, and heat transport modules. Overall, both software packages provided the ability to solve multiphysics phenomena accurately.

A Comparison of Curing Process-Induced Residual Stresses and Cure Shrinkage in Micro-Scale Composite Structures with Different Constitutive Laws

NASA Astrophysics Data System (ADS)

Li, Dongna; Li, Xudong; Dai, Jianfeng; Xi, Shangbin

2018-02-01

In this paper, three kinds of constitutive laws, elastic, "cure hardening instantaneously linear elastic (CHILE)" and viscoelastic law, are used to predict curing process-induced residual stress for the thermoset polymer composites. A multi-physics coupling finite element analysis (FEA) model implementing the proposed three approaches is established in COMSOL Multiphysics-Version 4.3b. The evolution of thermo-physical properties with temperature and degree of cure (DOC), which improved the accuracy of numerical simulations, and cure shrinkage are taken into account for the three models. Subsequently, these three proposed constitutive models are implemented respectively in a 3D micro-scale composite laminate structure. Compared the differences between these three numerical results, it indicates that big error in residual stress and cure shrinkage generates by elastic model, but the results calculated by the modified CHILE model are in excellent agreement with those estimated by the viscoelastic model.

Comprehensive preclinical evaluation of a multi-physics model of liver tumor radiofrequency ablation.

PubMed

Audigier, Chloé; Mansi, Tommaso; Delingette, Hervé; Rapaka, Saikiran; Passerini, Tiziano; Mihalef, Viorel; Jolly, Marie-Pierre; Pop, Raoul; Diana, Michele; Soler, Luc; Kamen, Ali; Comaniciu, Dorin; Ayache, Nicholas

2017-09-01

We aim at developing a framework for the validation of a subject-specific multi-physics model of liver tumor radiofrequency ablation (RFA). The RFA computation becomes subject specific after several levels of personalization: geometrical and biophysical (hemodynamics, heat transfer and an extended cellular necrosis model). We present a comprehensive experimental setup combining multimodal, pre- and postoperative anatomical and functional images, as well as the interventional monitoring of intra-operative signals: the temperature and delivered power. To exploit this dataset, an efficient processing pipeline is introduced, which copes with image noise, variable resolution and anisotropy. The validation study includes twelve ablations from five healthy pig livers: a mean point-to-mesh error between predicted and actual ablation extent of 5.3 ± 3.6 mm is achieved. This enables an end-to-end preclinical validation framework that considers the available dataset.

Multiphysics Simulations of Hot-Spot Initiation in Shocked Insensitive High-Explosive

NASA Astrophysics Data System (ADS)

Najjar, Fady; Howard, W. M.; Fried, L. E.

2010-11-01

Solid plastic-bonded high-explosive materials consist of crystals with micron-sized pores embedded. Under mechanical or thermal insults, these voids increase the ease of shock initiation by generating high-temperature regions during their collapse that might lead to ignition. Understanding the mechanisms of hot-spot initiation has significant research interest due to safety, reliability and development of new insensitive munitions. Multi-dimensional high-resolution meso-scale simulations are performed using the multiphysics software, ALE3D, to understand the hot-spot initiation. The Cheetah code is coupled to ALE3D, creating multi-dimensional sparse tables for the HE properties. The reaction rates were obtained from MD Quantum computations. Our current predictions showcase several interesting features regarding hot spot dynamics including the formation of a "secondary" jet. We will discuss the results obtained with hydro-thermo-chemical processes leading to ignition growth for various pore sizes and different shock pressures.

Hot-spot contributions in shocked high explosives from mesoscale ignition models

NASA Astrophysics Data System (ADS)

Levesque, G.; Vitello, P.; Howard, W. M.

2013-06-01

High explosive performance and sensitivity is strongly related to the mesoscale defect densities. Bracketing the population of mesoscale hot spots that are active in the shocked ignition of explosives is important for the development of predictive reactive flow models. By coupling a multiphysics-capable hydrodynamics code (ale3d) with a chemical kinetics solver (cheetah), we can parametrically analyze different pore sizes undergoing collapse in high pressure shock conditions with evolving physical parameter fields. Implementing first-principles based decomposition kinetics, burning hot spots are monitored, and the regimes of pore sizes that contribute significantly to burnt mass faction and those that survive thermal conduction on the time scales of ignition are elucidated. Comparisons are drawn between the thermal explosion theory and the multiphysics models for the determination of nominal pore sizes that burn significantly during ignition for the explosive 1,3,5-triamino-2,4,6-trinitrobenzene.

A comparison of 1D analytical model and 3D finite element analysis with experiments for a rosen-type piezoelectric transformer.

PubMed

Boukazouha, F; Poulin-Vittrant, G; Tran-Huu-Hue, L P; Bavencoffe, M; Boubenider, F; Rguiti, M; Lethiecq, M

2015-07-01

This article is dedicated to the study of Piezoelectric Transformers (PTs), which offer promising solutions to the increasing need for integrated power electronics modules within autonomous systems. The advantages offered by such transformers include: immunity to electromagnetic disturbances; ease of miniaturisation for example, using conventional micro fabrication processes; and enhanced performance in terms of voltage gain and power efficiency. Central to the adequate description of such transformers is the need for complex analytical modeling tools, especially if one is attempting to include combined contributions due to (i) mechanical phenomena owing to the different propagation modes which differ at the primary and secondary sides of the PT; and (ii) electrical phenomena such as the voltage gain and power efficiency, which depend on the electrical load. The present work demonstrates an original one-dimensional (1D) analytical model, dedicated to a Rosen-type PT and simulation results are successively compared against that of a three-dimensional (3D) Finite Element Analysis (COMSOL Multiphysics software) and experimental results. The Rosen-type PT studied here is based on a single layer soft PZT (P191) with corresponding dimensions 18 mm × 3 mm × 1.5 mm, which operated at the second harmonic of 176 kHz. Detailed simulational and experimental results show that the presented 1D model predicts experimental measurements to within less than 10% error of the voltage gain at the second and third resonance frequency modes. Adjustment of the analytical model parameters is found to decrease errors relative to experimental voltage gain to within 1%, whilst a 2.5% error on the output admittance magnitude at the second resonance mode were obtained. Relying on the unique assumption of one-dimensionality, the present analytical model appears as a useful tool for Rosen-type PT design and behavior understanding. Copyright © 2015 Elsevier B.V. All rights reserved.

Advanced TEM Sample Preparation Using Low Energy (Preprint)

DTIC Science & Technology

2007-11-01

1.69 C - O 288.95 2.00 C - O - C (=O) - C O 1s 47.99 531.01 2.33 Al2O3 • 0.30 Ga2O3 • 2.68 H2O 532.55 45.66 SiO2 • 0.35 H2O, C - O - C (=O) - C, C - O...Si 2p 24.43 99.09 7.39 Si 103.29 17.04 SiO2 • 0.35 H2O Al 2p 0.67 72.68 0.29 Al 75.59 0.71 Al2O3 • 0.30 Ga2O3 • 2.68 H2O Ga 3d 0.50 18.72 0.29 Ga...21.22 0.21 Al2O3 • 0.30 Ga2O3 • 2.68 H2O Results of subsequent imaging and TEM-EDS analyses before and after low energy Ar milling are shown below

An occupational exposure assessment for engineered nanoparticles used in semiconductor fabrication.

PubMed

Shepard, Michele Noble; Brenner, Sara

2014-03-01

Engineered nanoparticles of alumina, amorphous silica, and ceria are used in semiconductor device fabrication during wafer polishing steps referred to as 'chemical mechanical planarization' (CMP). Some metal oxide nanoparticles can impact the biological response of cells and organ systems and may cause adverse health effects; additional research is necessary to better understand potential risks from nanomaterial applications and occupational exposure scenarios. This study was conducted to assess potential airborne exposures to nanoparticles and agglomerates using direct-reading instruments and filter-based samples to characterize workplace aerosols by particle number, mass, size, composition, and morphology. Sampling was repeated for tasks in three work areas (fab, subfab, wastewater treatment) at a facility using engineered nanoparticles for CMP. Real-time measurements were collected using a condensation particle counter (CPC), optical particle counter, and scanning mobility particle spectrometer (SMPS). Filter-based samples were analyzed for total mass or the respirable fraction, and for specific metals of interest. Additional air sample filters were analyzed by transmission electron microscopy with energy dispersive x-ray spectroscopy (TEM/EDX) for elemental identification and to provide data on particle size, morphology, and concentration. Peak concentrations measured on the CPC ranged from 1 to 16 particles per cubic centimeter (P cm(-3)) for background and from 4 to 74 P cm(-3) during tasks sampled in the fab; from 1 to 60 P cm(-3) for background and from 3 to 84 P cm(-3) for tasks sampled in the subfab; and from 1160 to 45 894 P cm(-3) for background and from 1710 to 45 519 P cm(-3) during wastewater treatment system filter change tasks. Significant variability was seen among the repeated task measurements and among background comparisons in each area. Several data analysis methods were used to compare each set of task and background measurements. Increased concentrations of respirable particles were identified for some tasks sampled in each work area, although of relatively low magnitude and inconsistently among repeated measurements for specific tasks. Measurements with a portable SMPS indicated that nanoparticle number concentrations (channels 11.5-115.5nm) increased above background levels by 3.2 P cm(-3) during CMP tool set-up in the fab area but were not elevated when changing filters for the CMP wastewater treatment system. All results from mass concentration analysis were below the limits of detection. Characterization by TEM/EDX identified structures containing the elements of interest (Al, Si), primarily as agglomerates or aggregates in the 100-1000nm size range. Although health-based occupational exposure limits have not been established for nanoscale alumina, silica, or ceria, the measured concentrations by number and mass were below currently proposed benchmarks or reference values for poorly soluble low-toxicity nanoparticles.

Joule-Heated Molten Regolith Electrolysis Reactor Concepts for Oxygen and Metals Production on the Moon and Mars

NASA Technical Reports Server (NTRS)

Sibille, Laurent; Dominques, Jesus A.

2012-01-01

The maturation of Molten Regolith Electrolysis (MRE) as a viable technology for oxygen and metals production on explored planets relies on the realization of the self-heating mode for the reactor. Joule heat generated during regolith electrolysis creates thermal energy that should be able to maintain the molten phase (similar to electrolytic Hall-Heroult process for aluminum production). Self-heating via Joule heating offers many advantages: (1) The regolith itself is the crucible material, it protects the vessel walls (2) Simplifies the engineering of the reactor (3) Reduces power consumption (no external heating) (4) Extends the longevity of the reactor. Predictive modeling is a tool chosen to perform dimensional analysis of a self-heating reactor: (1) Multiphysics modeling (COMSOL) was selected for Joule heat generation and heat transfer (2) Objective is to identify critical dimensions for first reactor prototype.

Multiphysics Application Coupling Toolkit

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

Campbell, Michael T.

2013-12-02

This particular consortium implementation of the software integration infrastructure will, in large part, refactor portions of the Rocstar multiphysics infrastructure. Development of this infrastructure originated at the University of Illinois DOE ASCI Center for Simulation of Advanced Rockets (CSAR) to support the center's massively parallel multiphysics simulation application, Rocstar, and has continued at IllinoisRocstar, a small company formed near the end of the University-based program. IllinoisRocstar is now licensing these new developments as free, open source, in hopes to help improve their own and others' access to infrastructure which can be readily utilized in developing coupled or composite software systems;more » with particular attention to more rapid production and utilization of multiphysics applications in the HPC environment. There are two major pieces to the consortium implementation, the Application Component Toolkit (ACT), and the Multiphysics Application Coupling Toolkit (MPACT). The current development focus is the ACT, which is (will be) the substrate for MPACT. The ACT itself is built up from the components described in the technical approach. In particular, the ACT has the following major components: 1.The Component Object Manager (COM): The COM package provides encapsulation of user applications, and their data. COM also provides the inter-component function call mechanism. 2.The System Integration Manager (SIM): The SIM package provides constructs and mechanisms for orchestrating composite systems of multiply integrated pieces.« less

PRELIMINARY COUPLING OF THE MONTE CARLO CODE OPENMC AND THE MULTIPHYSICS OBJECT-ORIENTED SIMULATION ENVIRONMENT (MOOSE) FOR ANALYZING DOPPLER FEEDBACK IN MONTE CARLO SIMULATIONS

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

Matthew Ellis; Derek Gaston; Benoit Forget

In recent years the use of Monte Carlo methods for modeling reactors has become feasible due to the increasing availability of massively parallel computer systems. One of the primary challenges yet to be fully resolved, however, is the efficient and accurate inclusion of multiphysics feedback in Monte Carlo simulations. The research in this paper presents a preliminary coupling of the open source Monte Carlo code OpenMC with the open source Multiphysics Object-Oriented Simulation Environment (MOOSE). The coupling of OpenMC and MOOSE will be used to investigate efficient and accurate numerical methods needed to include multiphysics feedback in Monte Carlo codes.more » An investigation into the sensitivity of Doppler feedback to fuel temperature approximations using a two dimensional 17x17 PWR fuel assembly is presented in this paper. The results show a functioning multiphysics coupling between OpenMC and MOOSE. The coupling utilizes Functional Expansion Tallies to accurately and efficiently transfer pin power distributions tallied in OpenMC to unstructured finite element meshes used in MOOSE. The two dimensional PWR fuel assembly case also demonstrates that for a simplified model the pin-by-pin doppler feedback can be adequately replicated by scaling a representative pin based on pin relative powers.« less

Frontiers of in situ electron microscopy

DOE PAGES

Zheng, Haimei; Zhu, Yimei; Meng, Shirley Ying

2015-01-01

In situ transmission electron microscopy (TEM) has become an increasingly important tool for materials characterization. It provides key information on the structural dynamics of a material during transformations and the correlation between structure and properties of materials. With the recent advances in instrumentation, including aberration corrected optics, sample environment control, the sample stage, and fast and sensitive data acquisition, in situ TEM characterization has become more and more powerful. In this article, a brief review of the current status and future opportunities of in situ TEM is included. It also provides an introduction to the six articles covered by inmore » this issue of MRS Bulletin explore the frontiers of in situ electron microscopy, including liquid and gas environmental TEM, dynamic four-dimensional TEM, nanomechanics, ferroelectric domain switching studied by in situ TEM, and state-of-the-art atomic imaging of light elements (i.e., carbon atoms) and individual defects.« less

Selective Capture of Histidine-tagged Proteins from Cell Lysates Using TEM grids Modified with NTA-Graphene Oxide

NASA Astrophysics Data System (ADS)

Benjamin, Christopher J.; Wright, Kyle J.; Bolton, Scott C.; Hyun, Seok-Hee; Krynski, Kyle; Grover, Mahima; Yu, Guimei; Guo, Fei; Kinzer-Ursem, Tamara L.; Jiang, Wen; Thompson, David H.

2016-10-01

We report the fabrication of transmission electron microscopy (TEM) grids bearing graphene oxide (GO) sheets that have been modified with Nα, Nα-dicarboxymethyllysine (NTA) and deactivating agents to block non-selective binding between GO-NTA sheets and non-target proteins. The resulting GO-NTA-coated grids with these improved antifouling properties were then used to isolate His6-T7 bacteriophage and His6-GroEL directly from cell lysates. To demonstrate the utility and simplified workflow enabled by these grids, we performed cryo-electron microscopy (cryo-EM) of His6-GroEL obtained from clarified E. coli lysates. Single particle analysis produced a 3D map with a gold standard resolution of 8.1 Å. We infer from these findings that TEM grids modified with GO-NTA are a useful tool that reduces background and improves both the speed and simplicity of biological sample preparation for high-resolution structure elucidation by cryo-EM.

Selective Capture of Histidine-tagged Proteins from Cell Lysates Using TEM grids Modified with NTA-Graphene Oxide.

PubMed

Benjamin, Christopher J; Wright, Kyle J; Bolton, Scott C; Hyun, Seok-Hee; Krynski, Kyle; Grover, Mahima; Yu, Guimei; Guo, Fei; Kinzer-Ursem, Tamara L; Jiang, Wen; Thompson, David H

2016-10-17

We report the fabrication of transmission electron microscopy (TEM) grids bearing graphene oxide (GO) sheets that have been modified with N α , N α -dicarboxymethyllysine (NTA) and deactivating agents to block non-selective binding between GO-NTA sheets and non-target proteins. The resulting GO-NTA-coated grids with these improved antifouling properties were then used to isolate His 6 -T7 bacteriophage and His 6 -GroEL directly from cell lysates. To demonstrate the utility and simplified workflow enabled by these grids, we performed cryo-electron microscopy (cryo-EM) of His 6 -GroEL obtained from clarified E. coli lysates. Single particle analysis produced a 3D map with a gold standard resolution of 8.1 Å. We infer from these findings that TEM grids modified with GO-NTA are a useful tool that reduces background and improves both the speed and simplicity of biological sample preparation for high-resolution structure elucidation by cryo-EM.

Semi-automatic volume measurement for orbital fat and total extraocular muscles based on Cube FSE-flex sequence in patients with thyroid-associated ophthalmopathy.

PubMed

Tang, X; Liu, H; Chen, L; Wang, Q; Luo, B; Xiang, N; He, Y; Zhu, W; Zhang, J

2018-05-24

To investigate the accuracy of two semi-automatic segmentation measurements based on magnetic resonance imaging (MRI) three-dimensional (3D) Cube fast spin echo (FSE)-flex sequence in phantoms, and to evaluate the feasibility of determining the volumetric alterations of orbital fat (OF) and total extraocular muscles (TEM) in patients with thyroid-associated ophthalmopathy (TAO) by semi-automatic segmentation. Forty-four fatty (n=22) and lean (n=22) phantoms were scanned by using Cube FSE-flex sequence with a 3 T MRI system. Their volumes were measured by manual segmentation (MS) and two semi-automatic segmentation algorithms (regional growing [RG], multi-dimensional threshold [MDT]). Pearson correlation and Bland-Altman analysis were used to evaluate the measuring accuracy of MS, RG, and MDT in phantoms as compared with the true volume. Then, OF and TEM volumes of 15 TAO patients and 15 normal controls were measured using MDT. Paired-sample t-tests were used to compare the volumes and volume ratios of different orbital tissues between TAO patients and controls. Each segmentation (MS RG, MDT) has a significant correlation (p<0.01) with true volume. There was a minimal bias for MS, and a stronger agreement between MDT and the true volume than RG and the true volume both in fatty and lean phantoms. The reproducibility of Cube FSE-flex determined MDT was adequate. The volumetric ratios of OF/globe (p<0.01), TEM/globe (p<0.01), whole orbit/globe (p<0.01) and bone orbit/globe (p<0.01) were significantly greater in TAO patients than those in healthy controls. MRI Cube FSE-flex determined MDT is a relatively accurate semi-automatic segmentation that can be used to evaluate OF and TEM volumes in clinic. Copyright © 2018 The Royal College of Radiologists. Published by Elsevier Ltd. All rights reserved.

Network Analysis of Sequence-Function Relationships and Exploration of Sequence Space of TEM β-Lactamases.

PubMed

Zeil, Catharina; Widmann, Michael; Fademrecht, Silvia; Vogel, Constantin; Pleiss, Jürgen

2016-05-01

The Lactamase Engineering Database (www.LacED.uni-stuttgart.de) was developed to facilitate the classification and analysis of TEM β-lactamases. The current version contains 474 TEM variants. Two hundred fifty-nine variants form a large scale-free network of highly connected point mutants. The network was divided into three subnetworks which were enriched by single phenotypes: one network with predominantly 2be and two networks with 2br phenotypes. Fifteen positions were found to be highly variable, contributing to the majority of the observed variants. Since it is expected that a considerable fraction of the theoretical sequence space is functional, the currently sequenced 474 variants represent only the tip of the iceberg of functional TEM β-lactamase variants which form a huge natural reservoir of highly interconnected variants. Almost 50% of the variants are part of a quartet. Thus, two single mutations that result in functional enzymes can be combined into a functional protein. Most of these quartets consist of the same phenotype, or the mutations are additive with respect to the phenotype. By predicting quartets from triplets, 3,916 unknown variants were constructed. Eighty-seven variants complement multiple quartets and therefore have a high probability of being functional. The construction of a TEM β-lactamase network and subsequent analyses by clustering and quartet prediction are valuable tools to gain new insights into the viable sequence space of TEM β-lactamases and to predict their phenotype. The highly connected sequence space of TEM β-lactamases is ideally suited to network analysis and demonstrates the strengths of network analysis over tree reconstruction methods. Copyright © 2016, American Society for Microbiology. All Rights Reserved.

Results of Neoadjuvant Short-Course Radiation Therapy Followed by Transanal Endoscopic Microsurgery for T1-T2 N0 Extraperitoneal Rectal Cancer

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

Arezzo, Alberto, E-mail: alberto.arezzo@unito.it; Arolfo, Simone; Allaix, Marco Ettore

Purpose: This study was undertaken to assess the short-term outcomes of neoadjuvant short-course radiation therapy (SCRT) followed by transanal endoscopic microsurgery (TEM) for T1-T2 N0 extraperitoneal rectal cancer. Recent studies suggest that neoadjuvant radiation therapy followed by TEM is safe and has results similar to those with abdominal rectal resection for the treatment of extraperitoneal early rectal cancer. Methods and Materials: We planned a prospective pilot study including 25 consecutive patients with extraperitoneal T1-T2 N0 M0 rectal adenocarcinoma undergoing SCRT followed by TEM 4 to 10 weeks later (SCRT-TEM). Safety, efficacy, and acceptability of this treatment modality were compared with historicalmore » groups of patients with similar rectal cancer stage and treated with long-course radiation therapy (LCRT) followed by TEM (LCRT-TEM), TEM alone, or laparoscopic rectal resection with total mesorectal excision (TME) at our institution. Results: The study was interrupted after 14 patients underwent SCRT of 25 Gy in 5 fractions followed by TEM. Median time between SCRT and TEM was 7 weeks (range: 4-10 weeks). Although no preoperative complications occurred, rectal suture dehiscence was observed in 7 patients (50%) at 4 weeks follow-up, associated with an enterocutaneous fistula in the sacral area in 2 cases. One patient required a colostomy. Quality of life at 1-month follow-up, according to European Organization for Research and Treatment of Cancer QLQ-C30 survey score, was significantly worse in SCRT-TEM patients than in LCRT-TEM patients (P=.0277) or TEM patients (P=.0004), whereas no differences were observed with TME patients (P=.604). At a median follow-up of 10 months (range: 6-26 months), we observed 1 (7%) local recurrence at 6 months that was treated with abdominoperineal resection. Conclusions: SCRT followed by TEM for T1-T2 N0 rectal cancer is burdened by a high rate of painful dehiscence of the suture line and enterocutaneous fistula, compared to TEM alone and TEM following LCRT, which forced us to stop the study.« less

Modelling in conventional electroporation for model cell with organelles using COMSOL Multiphysics

NASA Astrophysics Data System (ADS)

Sulaeman, M. Y.; Widita, R.

2016-03-01

Conventional electroporation is a formation of pores in the membrane cell due to the external electric field applied to the cell. The purpose of creating pores in the cell using conventional electroporation are to increase the effectiveness of chemotherapy (electrochemotherapy) and to kill cancer tissue using irreversible electroporation. Modeling of electroporation phenomenon on a model cell had been done by using software COMSOL Multiphysics 4.3b with the applied external electric field with intensity at 1.1 kV/cm to find transmembrane voltage and pore density. It can be concluded from the results of potential distribution and transmembrane voltage, it show that pores formation only occurs in the membrane cells and it could not penetrate into inside the model cell so there is not pores formation in its organells.

Enabling Predictive Simulation and UQ of Complex Multiphysics PDE Systems by the Development of Goal-Oriented Variational Sensitivity Analysis and a-Posteriori Error Estimation Methods

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

Estep, Donald

2015-11-30

This project addressed the challenge of predictive computational analysis of strongly coupled, highly nonlinear multiphysics systems characterized by multiple physical phenomena that span a large range of length- and time-scales. Specifically, the project was focused on computational estimation of numerical error and sensitivity analysis of computational solutions with respect to variations in parameters and data. In addition, the project investigated the use of accurate computational estimates to guide efficient adaptive discretization. The project developed, analyzed and evaluated new variational adjoint-based techniques for integration, model, and data error estimation/control and sensitivity analysis, in evolutionary multiphysics multiscale simulations.

3D optimization of a polymer MOEMS for active focusing of VCSEL beam

NASA Astrophysics Data System (ADS)

Abada, S.; Camps, T.; Reig, B.; Doucet, JB; Daran, E.; Bardinal, V.

2014-05-01

We report on the optimized design of a polymer-based actuator that can be directly integrated on a VCSEL for vertical beam scanning. Its operation principle is based on the vertical displacement of a SU-8 membrane including a polymer microlens. Under an applied thermal gradient, the membrane is shifted vertically due to thermal expansion in the actuation arms induced by Joule effect. This leads to a modification of microlens position and thus to a vertical scan of the laser beam. Membrane vertical displacements as high as 8μm for only 3V applied were recently experimentally obtained. To explain these performances, we developed a comprehensive tri-dimensional thermo-mechanical model that takes into account SU-8 material properties and precise MOEMS geometry. Out-of-plane mechanical coefficients and thermal conductivity were thus integrated in our 3D model (COMSOL Multiphysics). Vertical displacements extracted from these data for different actuation powers were successfully compared to experimental values, validating this modelling tool. Thereby, it was exploited to increase MOEMS electrothermal performance by a factor higher than 5.

Inhibition of p53 Mutant Peptide Aggregation In Vitro by Cationic Osmolyte Acetylcholine Chloride.

PubMed

Chen, Zhaolin; Kanapathipillai, Mathumai

2017-01-01

Mutations of tumor suppressor protein p53 are present in almost about 50% of all cancers. It has been reported that the p53 mutations cause aggregation and subsequent loss of p53 function, leading to cancer progression. Here in this study we focus on the inhibitory effects of cationic osmolyte molecules acetylcholine chloride, and choline on an aggregation prone 10 amino acid p53 mutant peptide WRPILTIITL, and the corresponding wildtype peptide RRPILTIITL in vitro. The characterization tools used for this study include Thioflavin- T (ThT) induced fluorescence, transmission electron microscopy (TEM), congo red binding, turbidity, dynamic light scattering (DLS), and cell viability assays. The results show that acetylcholine chloride in micromolar concentrations significantly inhibit p53 mutant peptide aggregation in vitro, and could be promising candidate for p53 mutant/ misfolded protein aggregation inhibition. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Whole blood coagulation assays ROTEM and T-TAS to monitor dabigatran treatment.

PubMed

Taune, Viktor; Wallén, Håkan; Ågren, Anna; Gryfelt, Gunilla; Sjövik, Carolina; Wintler, Anna M; Malmström, Rickard E; Wikman, Agneta; Skeppholm, Mika

2017-05-01

A rapid and reliable assessment of the dabigatran effect is desirable in dabigatran treated patients with uncontrolled bleeding or before acute surgery. To evaluate how the viscoelastic point-of-care test Rotational thromboelastometry (ROTEM) and Total Thrombus-formation system (T-TAS), which studies thrombus formation under flowing conditions, correlate with dabigatran concentrations in patients with atrial fibrillation (AF). ROTEM using the reagents In-tem, Ex-tem, Fib-tem or low tissue factor concentration (TF), and T-TAS with the AR-chip (shear rate 600s -1 , representing flow in large arteries) were investigated in whole blood samples. Plasma concentrations were determined by mass spectrometry (LC-MS/MS) at trough and post-dose in 30 patients on dabigatran 150mg BID. Median plasma dabigatran concentrations at trough were 86ng/mL (29-150) and post-dose (2.8h after ingestion) 175ng/mL (67-490). The ROTEM clotting time (CT) correlated strongly with dabigatran concentrations when activated with the reagents Ex-tem (r=0.92, p<0.01) and Fib-tem (r=0.93, p<0.01), while with In-tem and low TF the correlation was weaker (r=0.72 and r=0.36, p<0.01). There were significant but weaker correlations also between dabigatran concentrations and T-TAS variables (r-values 0.39-0.41, p<0.01), aPTT (r=0.70, p<0.01) and PT-INR (r=0.43, p<0.01) respectively. ROTEM Ex-tem and Fib-tem CT shows a strong correlation with dabigatran concentrations in real-life AF-patients, and results are obtained within minutes. This could make ROTEM useful in acute situations. T-TAS detect differences in hemostasis caused by dabigatran, but the relationships to plasma concentrations of dabigatran are weaker than for ROTEM CT with the settings used in this study. Copyright © 2017 Elsevier Ltd. All rights reserved.

Electrochemical preparation of vertically aligned, hollow CdSe nanotubes and their p-n junction hybrids with electrodeposited Cu2O.

PubMed

Debgupta, Joyashish; Devarapalli, Ramireddy; Rahman, Shakeelur; Shelke, Manjusha V; Pillai, Vijayamohanan K

2014-08-07

Vertically aligned, hollow nanotubes of CdSe are grown on fluorine doped tin oxide (FTO) coated glass substrates by ZnO nanowire template-assisted electrodeposition technique, followed by selective removal of the ZnO core using NH4OH. A detailed mechanism of nucleation and anisotropic growth kinetics of nanotubes have been studied by a combination of characterization tools such as chronoamperometry, SEM and TEM. Interestingly, "as grown" CdSe nanotubes (CdSe NTs) on FTO coated glass plates behave as n-type semiconductors exhibiting an excellent photo-response (with a generated photocurrent density value of ∼ 470 μA cm(-2)) while in contact with p-type Cu2O (p-type semiconductor, grown separately on FTO plates) because of the formation of a n-p heterojunction (type II). The observed photoresponse is 3 times higher than that of a similar device prepared with electrodeposited CdSe films (not nanotubes) and Cu2O on FTO. This has been attributed to the hollow 1-D nature of CdSe NTs, which provides enhanced inner and outer surface areas for better absorption of light and also assists faster transport of photogenerated charge carriers.

Dependency graph for code analysis on emerging architectures

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

Shashkov, Mikhail Jurievich; Lipnikov, Konstantin

Direct acyclic dependency (DAG) graph is becoming the standard for modern multi-physics codes.The ideal DAG is the true block-scheme of a multi-physics code. Therefore, it is the convenient object for insitu analysis of the cost of computations and algorithmic bottlenecks related to statistical frequent data motion and dymanical machine state.

Integration of topological modification within the modeling of multi-physics systems: Application to a Pogo-stick

NASA Astrophysics Data System (ADS)

Abdeljabbar Kharrat, Nourhene; Plateaux, Régis; Miladi Chaabane, Mariem; Choley, Jean-Yves; Karra, Chafik; Haddar, Mohamed

2018-05-01

The present work tackles the modeling of multi-physics systems applying a topological approach while proceeding with a new methodology using a topological modification to the structure of systems. Then the comparison with the Magos' methodology is made. Their common ground is the use of connectivity within systems. The comparison and analysis of the different types of modeling show the importance of the topological methodology through the integration of the topological modification to the topological structure of a multi-physics system. In order to validate this methodology, the case of Pogo-stick is studied. The first step consists in generating a topological graph of the system. Then the connectivity step takes into account the contact with the ground. During the last step of this research; the MGS language (Modeling of General System) is used to model the system through equations. Finally, the results are compared to those obtained by MODELICA. Therefore, this proposed methodology may be generalized to model multi-physics systems that can be considered as a set of local elements.

Epidemiological Survey of Amoxicillin-Clavulanate Resistance and Corresponding Molecular Mechanisms in Escherichia coli Isolates in France: New Genetic Features of blaTEM Genes

PubMed Central

Leflon-Guibout, V.; Speldooren, V.; Heym, B.; Nicolas-Chanoine, M.-H.

2000-01-01

Amoxicillin-clavulanate resistance (MIC >16 μg/ml) and the corresponding molecular mechanisms were prospectively studied in Escherichia coli over a 3-year period (1996 to 1998) in 14 French hospitals. The overall frequency of resistant E. coli isolates remained stable at about 5% over this period. The highest frequency of resistant isolates (10 to 15%) was observed, independently of the year, among E. coli isolated from lower respiratory tract samples, and the isolation rate of resistant strains was significantly higher in surgical wards than in medical wards in 1998 (7.8 versus 2.8%). The two most frequent mechanisms of resistance for the 3 years were the hyperproduction of the chromosomal class C β-lactamase (48, 38.4, and 39.7%) and the production of inhibitor-resistant TEM (IRT) enzymes (30.4, 37.2, and 41.2%). By using the single-strand conformational polymorphism–PCR technique and sequencing methods, we determined that 59 IRT enzymes corresponded to previously described IRT enzymes whereas 8 were new. Three of these new enzymes derived from TEM-1 by only one amino acid substitution (Ser130Gly, Arg244Gly, and Asn276Asp), whereas three others derived by two amino acid substitutions (Met69Leu and Arg244Ser, Met69Leu and Ile127Val, and Met69Val and Arg275Gln). The two remaining new IRTs showed three amino acid substitutions (Met69Val, Trp165Arg, and Asn276Asp and Met69Ile, Trp165Cys, and Arg275Gln). New genetic features were also found in blaTEM genes, namely, blaTEM-1B with either the promoters Pa and Pb, P4, or a promoter displaying a C→G transversion at position 3 of the −35 consensus sequence and new blaTEM genes, notably one encoding TEM-1 but possessing the silent mutations originally described in blaTEM-2 and then in some blaTEM-encoding IRT enzymes. PMID:10991849

TerraFERMA: Harnessing Advanced Computational Libraries in Earth Science

NASA Astrophysics Data System (ADS)

Wilson, C. R.; Spiegelman, M.; van Keken, P.

2012-12-01

Many important problems in Earth sciences can be described by non-linear coupled systems of partial differential equations. These "multi-physics" problems include thermo-chemical convection in Earth and planetary interiors, interactions of fluids and magmas with the Earth's mantle and crust and coupled flow of water and ice. These problems are of interest to a large community of researchers but are complicated to model and understand. Much of this complexity stems from the nature of multi-physics where small changes in the coupling between variables or constitutive relations can lead to radical changes in behavior, which in turn affect critical computational choices such as discretizations, solvers and preconditioners. To make progress in understanding such coupled systems requires a computational framework where multi-physics problems can be described at a high-level while maintaining the flexibility to easily modify the solution algorithm. Fortunately, recent advances in computational science provide a basis for implementing such a framework. Here we present the Transparent Finite Element Rapid Model Assembler (TerraFERMA), which leverages several advanced open-source libraries for core functionality. FEniCS (fenicsproject.org) provides a high level language for describing the weak forms of coupled systems of equations, and an automatic code generator that produces finite element assembly code. PETSc (www.mcs.anl.gov/petsc) provides a wide range of scalable linear and non-linear solvers that can be composed into effective multi-physics preconditioners. SPuD (amcg.ese.ic.ac.uk/Spud) is an application neutral options system that provides both human and machine-readable interfaces based on a single xml schema. Our software integrates these libraries and provides the user with a framework for exploring multi-physics problems. A single options file fully describes the problem, including all equations, coefficients and solver options. Custom compiled applications are generated from this file but share an infrastructure for services common to all models, e.g. diagnostics, checkpointing and global non-linear convergence monitoring. This maximizes code reusability, reliability and longevity ensuring that scientific results and the methods used to acquire them are transparent and reproducible. TerraFERMA has been tested against many published geodynamic benchmarks including 2D/3D thermal convection problems, the subduction zone benchmarks and benchmarks for magmatic solitary waves. It is currently being used in the investigation of reactive cracking phenomena with applications to carbon sequestration, but we will principally discuss its use in modeling the migration of fluids in subduction zones. Subduction zones require an understanding of the highly nonlinear interactions of fluids with solids and thus provide an excellent scientific driver for the development of multi-physics software.

Electron-beam irradiation induced transformation of Cu2(OH)3NO3 nanoflakes into nanocrystalline CuO

NASA Astrophysics Data System (ADS)

Padhi, S. K.; Gottapu, S. N.; Krishna, M. Ghanashyam

2016-05-01

The transmission electron microscope electron-beam (TEM e-beam) as a material modification tool has been demonstrated. The material modification is realised in the high-resolution TEM mode (largest condenser aperture, 150 μm, and 200 nm spot size) at a 200 keV beam energy. The Cu2(OH)3NO3 (CHN) nanoflakes used in this study were microwave solution processed that were layered single crystals and radiation sensitive. The single domain CHN flakes disintegrate into a large number of individual CuO crystallites within a 90 s span of time. The sequential bright-field, dark-field, and selected area electron diffraction modes were employed to record the evolved morphology, microstructural changes, and structural transformation that validate CHN modification. High-resolution transmission electron microscopy imaging of e-beam irradiated regions unambiguously supports the growth of CuO nanoparticles (11.8(3.2) nm in diameter). This study demonstrates e-beam irradiation induced CHN depletion, subsequent nucleation and growth of nanocrystalline CuO regions well embedded in the parent burnt porous matrix which can be useful for miniaturized sensing applications. NaBH4 induced room temperature reduction of CHN to elemental Cu and its printability on paper was also demonstrated.The transmission electron microscope electron-beam (TEM e-beam) as a material modification tool has been demonstrated. The material modification is realised in the high-resolution TEM mode (largest condenser aperture, 150 μm, and 200 nm spot size) at a 200 keV beam energy. The Cu2(OH)3NO3 (CHN) nanoflakes used in this study were microwave solution processed that were layered single crystals and radiation sensitive. The single domain CHN flakes disintegrate into a large number of individual CuO crystallites within a 90 s span of time. The sequential bright-field, dark-field, and selected area electron diffraction modes were employed to record the evolved morphology, microstructural changes, and structural transformation that validate CHN modification. High-resolution transmission electron microscopy imaging of e-beam irradiated regions unambiguously supports the growth of CuO nanoparticles (11.8(3.2) nm in diameter). This study demonstrates e-beam irradiation induced CHN depletion, subsequent nucleation and growth of nanocrystalline CuO regions well embedded in the parent burnt porous matrix which can be useful for miniaturized sensing applications. NaBH4 induced room temperature reduction of CHN to elemental Cu and its printability on paper was also demonstrated. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr02572b

A multiphysical ensemble system of numerical snow modelling

NASA Astrophysics Data System (ADS)

Lafaysse, Matthieu; Cluzet, Bertrand; Dumont, Marie; Lejeune, Yves; Vionnet, Vincent; Morin, Samuel

2017-05-01

Physically based multilayer snowpack models suffer from various modelling errors. To represent these errors, we built the new multiphysical ensemble system ESCROC (Ensemble System Crocus) by implementing new representations of different physical processes in the deterministic coupled multilayer ground/snowpack model SURFEX/ISBA/Crocus. This ensemble was driven and evaluated at Col de Porte (1325 m a.s.l., French alps) over 18 years with a high-quality meteorological and snow data set. A total number of 7776 simulations were evaluated separately, accounting for the uncertainties of evaluation data. The ability of the ensemble to capture the uncertainty associated to modelling errors is assessed for snow depth, snow water equivalent, bulk density, albedo and surface temperature. Different sub-ensembles of the ESCROC system were studied with probabilistic tools to compare their performance. Results show that optimal members of the ESCROC system are able to explain more than half of the total simulation errors. Integrating members with biases exceeding the range corresponding to observational uncertainty is necessary to obtain an optimal dispersion, but this issue can also be a consequence of the fact that meteorological forcing uncertainties were not accounted for. The ESCROC system promises the integration of numerical snow-modelling errors in ensemble forecasting and ensemble assimilation systems in support of avalanche hazard forecasting and other snowpack-modelling applications.

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

Simunovic, Srdjan; Piro, Markus H.A.

Thermochimica is a software library that determines a unique combination of phases and their compositions at thermochemical equilibrium. Thermochimica can be used for stand-alone calculations or it can be directly coupled to other codes. This release of the software does not have a graphical user interface (GUI) and it can be executed from the command line or from an Application Programming Interface (API). Also, it is not intended for thermodynamic model development or for constructing phase diagrams. The main purpose of the software is to be directly coupled with a multi-physics code to provide material properties and boundary conditions formore » various physical phenomena. Significant research efforts have been dedicated to enhance computational performance through advanced algorithm development, such as improved estimation techniques and non-linear solvers. Various useful parameters can be provided as output from Thermochimica, such as: determination of which phases are stable at equilibrium, the mass of solution species and phases at equilibrium, mole fractions of solution phase constituents, thermochemical activities (which are related to partial pressures for gaseous species), chemical potentials of solution species and phases, and integral Gibbs energy (referenced relative to standard state). The overall goal is to provide an open source computational tool to enhance the predictive capability of multi-physics codes without significantly impeding computational performance.« less

Insight into the defects of cage-type silica mesoporous crystals with Fd3m symmetry: TEM observations and a new proposal of "polyhedron packing" for the crystals.

PubMed

Han, Lu; Sakamoto, Yasuhiro; Che, Shunai; Terasaki, Osamu

2009-01-01

Silica mesoporous crystals were synthesized by using a gemini cationic surfactant (C(18-3-1)) as the directing agent, carboxyethylsilanetriol sodium salt as the co-structure directing agent (CSDA), and varying amounts of HCl. By using transmission electron microscopy (TEM) we observed 1) a structural change from the close-packed structures of spherical micelles--face-centered cubic (Fm3m) and hexagonal close-packed (P6(3)/mmc)--to Fd3m structures with an increase of HCl and 2) a few structural defects in the crystals with Fd3m symmetry. The structure of a crystal with Fd3m symmetry is described as one of the tetrahedrally close-packed (tcp) structures consisting of 5(12) and 5(12)6(4) polyhedra. The observed TEM images of the structural defects were explained well through use of simulated TEM images by introducing new 13-15 polyhedra comprising 5(12)6(2), 5(12)6(3), 4(1)5(10)6(2), 4(2)5(8)6(5), and 4(1)5(10)6(4), which have been observed in bubbles by Matzke. The mesostructural changes and defect formation are discussed in terms of the hardness of micelles composed of surfactant/CSDA/silica species that have formed through a change of the interaction between the surfactant and CSDA, which causes the micelles to change from a regime of close-packing to one of minimum-area packing.

Modeling Coupled Physical and Chemical Erosional Processes Using Structure from Motion Reconstruction and Multiphysics Simulation: Applications to Knickpoints in Bedrock Streams in Limestone Caves and on Earth's Surface

NASA Astrophysics Data System (ADS)

Bosch, R.; Ward, D.

2017-12-01

Investigation of erosion rates and processes at knickpoints in surface bedrock streams is an active area of research, involving complex feedbacks in the coupled relationships between dissolution, abrasion, and plucking that have not been sufficiently addressed. Even less research has addressed how these processes operate to propagate knickpoints through cave passages in layered sedimentary rocks, despite these features being common along subsurface streams. In both settings, there is evidence for mechanical and chemical erosion, but in cave passages the different hydrologic and hydraulic regimes, combined with an important role for the dissolution process, affect the relative roles and coupled interactions between these processes, and distinguish them from surface stream knickpoints. Using a novel approach of imaging cave passages using Structure from Motion (SFM), we create 3D geometry meshes to explore these systems using multiphysics simulation, and compare the processes as they occur in caves with those in surface streams. Here we focus on four field sites with actively eroding streambeds that include knickpoints: Upper River Acheron and Devil's Cooling Tub in Mammoth Cave, Kentucky; and two surface streams in Clermont County, Ohio, Avey's Run and Fox Run. SFM 3D reconstructions are built using images exported from 4K video shot at each field location. We demonstrate that SFM is a viable imaging approach for reconstructing cave passages with complex morphologies. We then use these reconstructions to create meshes upon which to run multiphysics simulations using STAR-CCM+. Our approach incorporates multiphase free-surface computational fluid dynamics simulations with sediment transport modeled using discrete element method grains. Physical and chemical properties of the water, bedrock, and sediment enable computation of shear stress, sediment impact forces, and chemical kinetic conditions at the bed surface. Preliminary results prove the efficacy of commercially available multiphysics simulation software for modeling various flow conditions, erosional processes, and their complex coupled interactions in cave passages and in surface stream channels to expand knowledge and understanding of overall cave system development and river profile erosion.

MUsical Tools for ENhancing the Awareness of Global Emergencies (The MUTENAGE Project)

NASA Astrophysics Data System (ADS)

Lanza, T.; Menghini, A.; Pontani, S.; Sapia, V.

2017-12-01

What if the sound extrapolated from the Earth, using a codified methodology, would raise emotions in accordance with the environmental critical issues of a particular site? Antonio Menghini (geophysicist expert of the TEM Method) and Stefano Pontani (a musician) have codified a procedure that transforms geophysical data (transient electromagnetic) into musical notes. Now it is possible to compose musical tracks describing faithfully the risk and geological issues related to different environmental scenarios: 1) Pollution of aquifers; 2) Seawater intrusion along the coastlines; 3) Seismic risk; 4) Drought; 5) Permafrost melting For each of these environmental emergencies, the TEM method (Time Domain Electromagnetics) shows an excellent diagnostic feature, so that the technical-scientific community widely employs it since many year. In fact, the variations of the recorded signal (voltage) reflect the modifications induced on the Earth system. Associating well defined musical "footprints" to these geophysical variations, through the sonification process, we have an extraordinary didactic-popular tool, able to make the impact of climatic-environmental changes easily understandable to the common people and to students of every age and grade. We will present some examples, one being the musical effect of seawater intrusion, that is well marked by the progressive increase of the pitches, when approaching the coastline. Other interesting examples come from the sonification of the TEM data acquired on seismic area especially highlighting the effect of seismic wave amplification associated to earthquakes. Besides being a new source of inspiration for musicians, the MUTENAGE Project is intended for delivering didactic tools, for scientific museums and schools, and a series of EM concerts, that will be located in different countries, for each of the above mentioned environmental issues.

TEMs but not DKK1 could serve as complementary biomarkers for AFP in diagnosing AFP-negative hepatocellular carcinoma.

PubMed

Mao, Liping; Wang, Yueguo; Wang, Delin; Han, Gang; Fu, Shouzhong; Wang, Jianxin

2017-01-01

Hepatitis B virus (HBV)-related hepatocellular carcinoma (HCC) is prevalent worldwide. Despite its limitations, serum alpha-fetoprotein (AFP) remains the most widely-used biomarker for the diagnosis of HCC. This study aimed to assess whether measurement of peripheral plasma Dickkopf-1 (DKK1) and Tie2-expressing monocytes (TEMs) could overcome the limitations of AFP and improve the diagnostic accuracy of HCC. Plasma DKK1 level and the percentage of TEMs in peripheral CD14+CD16+ monocytes from HCC patients (n = 82), HBV-related liver cirrhosis (LC) patients (n = 29), chronic hepatitis B (CHB) infected patients (n = 28) and healthy volunteers (n = 31) were analyzed by ELISA and flow cytometry. Receiver operating characteristic (ROC) curves were used to analyze a single biomarker, or a combination of two or three biomarkers. Univariate and multivariate analyses were performed to assess the significance of each marker in prediction of HCC and AFP-negative HCC from LC patients. The percentage of TEMs in peripheral CD14+CD16+ monocytes and plasma level of DKK1 in HCC group were significantly higher than those in LC, CHB and healthy control groups (all P-values <0.05). The percentage of TEMs alone was also significantly higher in AFP-negative HCC group than that in LC, CHB and healthy control groups (all P-values <0.05). Plasma DKK1 level alone could not distinguish between AFP-negative HCC and LC patients. ROC curves showed that the optimal diagnostic cutoff value was 550.93 ng/L for DKK1 and 4.95% for TEMs. There was no significant difference in AUC of DKK1, TEMs and AFP in HCC diagnosis between the four groups (all P>0.05). A combination of DKK1, TEMs and AFP measurements increased the AUC for HCC diagnosis as compared with either marker alone (0.833; 95%CI 0.768-0.886). The AUC for TEMs was 0.692 (95% CI 0.564-0.819) in differentiating AFP-negative HCC from LC, with a sensitivity of 80.0% and a specificity of 65.52%. Only TEMs prevailed as a significant predictor for AFP-negative HCC differentiating from LC patients in univariate and multivariate analyses (P = 0.016, P = 0.023). TEMs and DKK1 may prove to be potential complementary biomarkers for AFP in the diagnosis of HCC. TEMs rather than DKK1 could serve as a complementary biomarker for AFP in the differential diagnosis of AFP-negative HCC versus LC patients.

Design of Experiments for Model Calibration of Multi-Physics Systems with Targeted Events of Interest

DTIC Science & Technology

2017-03-01

discrete set of specimen and instrumentation locations available to be studied in a high -speed tunnel, such as the 8-foot HTT, under the desired...Benjamin P. Smarslok Hypersonic Sciences Branch High Speed Systems Division Diane Villanueva Universal Technology Corporation MARCH 2017...and is available to the general public, including foreign nationals. Copies may be obtained from the Defense Technical Information Center (DTIC

3D-profile measurement of advanced semiconductor features by using FIB as reference metrology

NASA Astrophysics Data System (ADS)

Takamasu, Kiyoshi; Iwaki, Yuuki; Takahashi, Satoru; Kawada, Hiroki; Ikota, Masami

2017-03-01

A novel method of sub-nanometer uncertainty for the 3D-profile measurement and LWR (Line Width Roughness) measurement by using FIB (Focused Ion Beam) processing, and TEM (Transmission Electron Microscope) and CD-SEM (Critical Dimension Scanning Electron Microscope) images measurement is proposed to standardize 3D-profile measurement through reference metrology. In this article, we apply the methodology to line profile measurements and roughness measurement of advanced FinFET (Fin-shaped Field-Effect Transistor) features. The FinFET features are horizontally sliced as a thin specimen by FIB micro sampling system. Horizontally images of the specimens are obtained then by a planar TEM. LWR is calculated from the edges positions on TEM images. Moreover, we already have demonstrated the novel on-wafer 3D-profile metrology as "FIB-to-CDSEM method" with FIB slope cut and CD-SEM measuring. Using the method, a few micrometers wide on a wafer is coated and cut by 45-degree slope using FIB tool. Then, the wafer is transferred to CD-SEM to measure the cross section image by top down CD-SEM measurement. We applied FIB-to-CDSEM method to a CMOS image sensor feature. The 45-degree slope cut surface is observed using AFM. The surface profile of slope cut surface and line profiles are analyzed for improving the accuracy of FIB-to-CDSEM method.

TEM Studies: The Key for Understanding the Origin of the 3.3 V and 4.5 V Steps Observed in LiMn 2O 4-based Spinels

NASA Astrophysics Data System (ADS)

Dupont, L.; Hervieu, M.; Rousse, G.; Masquelier, C.; Palacín, M. R.; Chabre, Y.; Tarascon, J. M.

2000-12-01

Transmission electron microscopy (TEM) measurements were performed on electrochemically partially delithiated prepared spinel Li1-xMn2O4 samples. The potential-composition profile of LiMn2O4 exhibits (besides the two plateaus at 4.05 and 4.1 V) two additional redox steps of identical capacity at 4.5 and 3.3/3.95 V. We found by TEM studies that these extra steps are the signature of a reversible phase transition between LiMn2O4 spinel type structure and a new Li1-xMn2O4 double hexagonal (DH) type structure (a≈5.8 Å, c≈8.9 Å, P63mc). The latter is isotypic with DH LiFeSnO4. Selected area electron diffraction (SAED) and high-resolution transmission electron microscopy (HRTEM) made it possible to identify the mechanism by which this cubic-DH phase transition occurs within a particle. Based on the structural findings the origin as well as the similar electrochemical capacity of the 3.3/3.95 and 4.5 V anomalies are explained.

Chemical Reactions of Molecules Promoted and Simultaneously Imaged by the Electron Beam in Transmission Electron Microscopy.

PubMed

Skowron, Stephen T; Chamberlain, Thomas W; Biskupek, Johannes; Kaiser, Ute; Besley, Elena; Khlobystov, Andrei N

2017-08-15

The main objective of this Account is to assess the challenges of transmission electron microscopy (TEM) of molecules, based on over 15 years of our work in this field, and to outline the opportunities in studying chemical reactions under the electron beam (e-beam). During TEM imaging of an individual molecule adsorbed on an atomically thin substrate, such as graphene or a carbon nanotube, the e-beam transfers kinetic energy to atoms of the molecule, displacing them from equilibrium positions. Impact of the e-beam triggers bond dissociation and various chemical reactions which can be imaged concurrently with their activation by the e-beam and can be presented as stop-frame movies. This experimental approach, which we term ChemTEM, harnesses energy transferred from the e-beam to the molecule via direct interactions with the atomic nuclei, enabling accurate predictions of bond dissociation events and control of the type and rate of chemical reactions. Elemental composition and structure of the reactant molecules as well as the operating conditions of TEM (particularly the energy of the e-beam) determine the product formed in ChemTEM processes, while the e-beam dose rate controls the reaction rate. Because the e-beam of TEM acts simultaneously as a source of energy for the reaction and as an imaging tool monitoring the same reaction, ChemTEM reveals atomic-level chemical information, such as pathways of reactions imaged for individual molecules, step-by-step and in real time; structures of illusive reaction intermediates; and direct comparison of catalytic activity of different transition metals filmed with atomic resolution. Chemical transformations in ChemTEM often lead to previously unforeseen products, demonstrating the potential of this method to become not only an analytical tool for studying reactions, but also a powerful instrument for discovery of materials that can be synthesized on preparative scale.

Wasatch: An architecture-proof multiphysics development environment using a Domain Specific Language and graph theory

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

Saad, Tony; Sutherland, James C.

To address the coding and software challenges of modern hybrid architectures, we propose an approach to multiphysics code development for high-performance computing. This approach is based on using a Domain Specific Language (DSL) in tandem with a directed acyclic graph (DAG) representation of the problem to be solved that allows runtime algorithm generation. When coupled with a large-scale parallel framework, the result is a portable development framework capable of executing on hybrid platforms and handling the challenges of multiphysics applications. In addition, we share our experience developing a code in such an environment – an effort that spans an interdisciplinarymore » team of engineers and computer scientists.« less

A Multi-physics Approach to Understanding Low Porosity Soils and Reservoir Rocks

NASA Astrophysics Data System (ADS)

Prasad, M.; Mapeli, C.; Livo, K.; Hasanov, A.; Schindler, M.; Ou, L.

2017-12-01

We present recent results on our multiphysics approach to rock physics. Thus, we evaluate geophysical measurements by simultaneously measuring petrophysical properties or imaging strains. In this paper, we present simultaneously measured acoustic and electrical anisotropy data as functions of pressure. Similarly, we present strains and strain localization images simultaneously acquired with acoustic measurements as well as NMR T2 relaxations on pressurized fluids as well as rocks saturated with these pressurized fluids. Such multiphysics experiments allow us to constrain and assign appropriate causative mechanisms to development rock physics models. They also allow us to decouple various effects, for example, fluid versus pressure, on geophysical measurements. We show applications towards reservoir characterization as well as CO2 sequestration applications.

Wasatch: An architecture-proof multiphysics development environment using a Domain Specific Language and graph theory

DOE PAGES

Saad, Tony; Sutherland, James C.

2016-05-04

To address the coding and software challenges of modern hybrid architectures, we propose an approach to multiphysics code development for high-performance computing. This approach is based on using a Domain Specific Language (DSL) in tandem with a directed acyclic graph (DAG) representation of the problem to be solved that allows runtime algorithm generation. When coupled with a large-scale parallel framework, the result is a portable development framework capable of executing on hybrid platforms and handling the challenges of multiphysics applications. In addition, we share our experience developing a code in such an environment – an effort that spans an interdisciplinarymore » team of engineers and computer scientists.« less

Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion

NASA Astrophysics Data System (ADS)

Philip, B.; Wang, Z.; Berrill, M. A.; Birke, M.; Pernice, M.

2014-04-01

The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

Blast Fragmentation Modeling and Analysis

DTIC Science & Technology

2010-10-31

weapons device containing a multiphase blast explosive (MBX). 1. INTRODUCTION The ARL Survivability Lethality and Analysis Directorate (SLAD) is...velocity. In order to simulate the highly complex phenomenon, the exploding cylinder is modeled with the hydrodynamics code ALE3D , an arbitrary...Lagrangian-Eulerian multiphysics code, developed at Lawrence Livermore National Laboratory. ALE3D includes physical properties, constitutive models for

β-lactamases produced by amoxicillin-clavulanate-resistant enterobacteria isolated in Buenos Aires, Argentina: a new blaTEM gene.

PubMed

Di Conza, José A; Badaracco, Alejandra; Ayala, Juan; Rodríguez, Cynthia; Famiglietti, Angela; Gutkind, Gabriel O

2014-01-01

Resistance to β-lactam/β-lactamase inhibitors in enterobacteria is a growing problem that has not been intensively studied in Argentina. In the present work, 54/843 enterobacteria collected in a teaching hospital of Buenos Aires city were ampicillin-sulbactam-resistant isolates remaining susceptible to second- and third-generation cephalosporins. The enzymatic mechanisms present in the isolates, which were also amoxicillin-clavulanic acid (AMC)-resistant (18/54) were herein analyzed. Sequencing revealed two different variants of blaTEM-1, being blaTEM-1b the most frequently detected allelle (10 Escherichia coli, 3 Klebsiella pneumoniae, 2 Proteus mirabilis and 1 Raoultella terrigena) followed by blaTEM-1a (1 K. pneumoniae). Amoxicillin-clavulanate resistance seems to be mainly associated with TEM-1 overproduction (mostly in E. coli) or co-expressed with OXA-2-like and/or SHV β-lactamases (K. pneumoniae and P. mirabilis). A new blaTEM variant (TEM-163) was described in an E. coli strain having an AMC MIC value of 16/8μg/ml. TEM-163 contains Arg275Gln and His289Leu amino acid substitutions. On the basis of the high specific activity and low IC50 for clavulanic acid observed, the resistance pattern seems to be due to overproduction of the new variant of broad spectrum β-lactamase rather than to an inhibitor-resistant TEM (IRT)-like behavior. Copyright © 2014 Asociación Argentina de Microbiología. Publicado por Elsevier España. All rights reserved.

TIE2-expressing macrophages limit the therapeutic efficacy of the vascular-disrupting agent combretastatin A4 phosphate in mice

PubMed Central

Welford, Abigail F.; Biziato, Daniela; Coffelt, Seth B.; Nucera, Silvia; Fisher, Matthew; Pucci, Ferdinando; Di Serio, Clelia; Naldini, Luigi; De Palma, Michele; Tozer, Gillian M.; Lewis, Claire E.

2011-01-01

Vascular-disrupting agents (VDAs) such as combretastatin A4 phosphate (CA4P) selectively disrupt blood vessels in tumors and induce tumor necrosis. However, tumors rapidly repopulate after treatment with such compounds. Here, we show that CA4P-induced vessel narrowing, hypoxia, and hemorrhagic necrosis in murine mammary tumors were accompanied by elevated tumor levels of the chemokine CXCL12 and infiltration by proangiogenic TIE2-expressing macrophages (TEMs). Inhibiting TEM recruitment to CA4P-treated tumors either by interfering pharmacologically with the CXCL12/CXCR4 axis or by genetically depleting TEMs in tumor-bearing mice markedly increased the efficacy of CA4P treatment. These data suggest that TEMs limit VDA-induced tumor injury and represent a potential target for improving the clinical efficacy of VDA-based therapies. PMID:21490397

Template-free synthesis of ZnWO{sub 4} powders via hydrothermal process in a wide pH range

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

Hojamberdiev, Mirabbos, E-mail: mirabbos_uz@yahoo.com; Zhu, Gangqiang; Xu, Yunhua

ZnWO{sub 4} powders with different morphologies were fabricated through a template-free hydrothermal method at 180 {sup o}C for 8 h in a wide pH range. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV-visible and luminescence spectrophotometers were applied to study the effects of pH values on crystallinity, morphology, optical and luminescence properties. The XRD results showed that the WO{sub 3} + ZnWO{sub 4}, ZnWO{sub 4}, and ZnO phases could form after hydrothermal processing at 180 {sup o}C for 8 h with the pH values of 1, 3-11, and 13, respectively. The SEM and TEM observation revealedmore » that the morphological transformation of ZnWO{sub 4} powders occurred with an increase in pH values as follows: star anise-, peony-, and desert rose-like microstructures and soya bean- and rod-like nanostructures. The highest luminescence intensity was found to be in sample consisting of star anise-like crystallites among all the samples due to the presence of larger particles with high crystallinity resulted from the favorable pH under the current hydrothermal conditions.« less

RELAP-7 Level 2 Milestone Report: Demonstration of a Steady State Single Phase PWR Simulation with RELAP-7

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

David Andrs; Ray Berry; Derek Gaston

The document contains the simulation results of a steady state model PWR problem with the RELAP-7 code. The RELAP-7 code is the next generation nuclear reactor system safety analysis code being developed at Idaho National Laboratory (INL). The code is based on INL's modern scientific software development framework - MOOSE (Multi-Physics Object-Oriented Simulation Environment). This report summarizes the initial results of simulating a model steady-state single phase PWR problem using the current version of the RELAP-7 code. The major purpose of this demonstration simulation is to show that RELAP-7 code can be rapidly developed to simulate single-phase reactor problems. RELAP-7more » is a new project started on October 1st, 2011. It will become the main reactor systems simulation toolkit for RISMC (Risk Informed Safety Margin Characterization) and the next generation tool in the RELAP reactor safety/systems analysis application series (the replacement for RELAP5). The key to the success of RELAP-7 is the simultaneous advancement of physical models, numerical methods, and software design while maintaining a solid user perspective. Physical models include both PDEs (Partial Differential Equations) and ODEs (Ordinary Differential Equations) and experimental based closure models. RELAP-7 will eventually utilize well posed governing equations for multiphase flow, which can be strictly verified. Closure models used in RELAP5 and newly developed models will be reviewed and selected to reflect the progress made during the past three decades. RELAP-7 uses modern numerical methods, which allow implicit time integration, higher order schemes in both time and space, and strongly coupled multi-physics simulations. RELAP-7 is written with object oriented programming language C++. Its development follows modern software design paradigms. The code is easy to read, develop, maintain, and couple with other codes. Most importantly, the modern software design allows the RELAP-7 code to evolve with time. RELAP-7 is a MOOSE-based application. MOOSE (Multiphysics Object-Oriented Simulation Environment) is a framework for solving computational engineering problems in a well-planned, managed, and coordinated way. By leveraging millions of lines of open source software packages, such as PETSC (a nonlinear solver developed at Argonne National Laboratory) and LibMesh (a Finite Element Analysis package developed at University of Texas), MOOSE significantly reduces the expense and time required to develop new applications. Numerical integration methods and mesh management for parallel computation are provided by MOOSE. Therefore RELAP-7 code developers only need to focus on physics and user experiences. By using the MOOSE development environment, RELAP-7 code is developed by following the same modern software design paradigms used for other MOOSE development efforts. There are currently over 20 different MOOSE based applications ranging from 3-D transient neutron transport, detailed 3-D transient fuel performance analysis, to long-term material aging. Multi-physics and multiple dimensional analyses capabilities can be obtained by coupling RELAP-7 and other MOOSE based applications and by leveraging with capabilities developed by other DOE programs. This allows restricting the focus of RELAP-7 to systems analysis-type simulations and gives priority to retain and significantly extend RELAP5's capabilities.« less

Chromic-P32 phosphate treatment of implanted pancreatic carcinoma: mechanism involved.

PubMed

Liu, Lu; Feng, Guo-Sheng; Gao, Hong; Tong, Guan-Sheng; Wang, Yu; Gao, Wen; Huang, Ying; Li, Cheng

2005-04-14

To study the effects of chromic-P32 phosphate (32P colloids) interstitial administration in Pc-3 implanted pancreatic carcinoma, and investigate its anticancer mechanism. Ninety-eight tumor bearing nude mice were killed at different time points after the injection of 32P colloids to the tumor core with observed radioactivity. The light microscopy, transmission electron microscopy (TEM) and immuno-histochemistry and flow cytometry were used to study the rates of tumor cell necrosis, proliferating cell nuclear antigen index, the micro vessel density (MVD). The changes of the biological response to the lymphatic transported 32P colloids in the inguinal lymph node (ILN) were dynamically observed, and the percentage of tumor cell apoptosis, and Apo2.7, caspase-3, Bcl-2, Bax-related gene expression were observed too. The half-life of effective medication is 13 d after injection of 32P colloids to the tumor stroma, in 1-6 groups, the tumor cell necrosis rates were 20%, 45%, 65%, 70%, 95% and 4%, respectively (F = 4.14-105.36, P<0.01). MVD were 38.5+/-4.0, 28.0+/-2.9, 17.0+/-2.9, 8.8+/-1.5, 5.7+/-2.3 and 65.0+/-5.2 (t = 11.9-26.1, P<0.01), respectively. Under TEM fairly differentiated Pc-3 cells were found. Thirty days after medication, tumors were shrunk and dried with scabs detached, and those in control group increased in size prominently with plenty of hypodermic blood vessels. In all animals the ILN were enlarged but in medicated animals they appeared later and smaller than those in control group. The extent of irradiative injury in ILN was positively correlated to the dosage of medication. Typical tumor cell apoptosis could be found under TEM in animals with intra-tumoral injection of low dosed 32P colloids. The peak of apoptosis occurred in 2.96 MBq group and 24 h after irradiation. In the course of irradiation-induced apoptosis, the value of Bcl-2/Bax was down regulated; Apo2.7 and caspase-3 protein expression were prominently increased dose dependently. 32P colloids intra-tumor injection having prominent anticancer effectiveness may reveal the ability of promoting cell differentiation. The low dose 32P colloids may induce human pancreatic carcinoma Pc-3 implanted tumor cell apoptosis; Apo2.7, caspase-3, Bcl-2 and Bax protein participated in regulating the process of irradiation induced cell apoptosis.

Crystallization behavior of the Li2S-P2S5 glass electrolyte in the LiNi1/3Mn1/3Co1/3O2 positive electrode layer.

PubMed

Tsukasaki, Hirofumi; Mori, Yota; Otoyama, Misae; Yubuchi, So; Asano, Takamasa; Tanaka, Yoshinori; Ohno, Takahisa; Mori, Shigeo; Hayashi, Akitoshi; Tatsumisago, Masahiro

2018-04-18

Sulfide-based all-solid-state lithium batteries are a next-generation power source composed of the inorganic solid electrolytes which are incombustible and have high ionic conductivity. Positive electrode composites comprising LiNi 1/3 Mn 1/3 Co 1/3 O 2 (NMC) and 75Li 2 S·25P 2 S 5 (LPS) glass electrolytes exhibit excellent charge-discharge cycle performance and are promising candidates for realizing all-solid-state batteries. The thermal stabilities of NMC-LPS composites have been investigated by transmission electron microscopy (TEM), which indicated that an exothermal reaction could be attributed to the crystallization of the LPS glass. To further understand the origin of the exothermic reaction, in this study, the precipitated crystalline phase of LPS glass in the NMC-LPS composite was examined. In situ TEM observations revealed that the β-Li 3 PS 4 precipitated at approximately 200 °C, and then Li 4 P 2 S 6 and Li 2 S precipitated at approximately 400 °C. Because the Li 4 P 2 S 6 and Li 2 S crystalline phases do not precipitate in the single LPS glass, the interfacial contact between LPS and NMC has a significant influence on both the LPS crystallization behavior and the exothermal reaction in the NMC-LPS composites.

Thorough Mastication Prior to Swallowing Increases Postprandial Satiety and the Thermic Effect of a Meal in Young Women.

PubMed

Komai, Naho; Motokubota, Naoko; Suzuki, Maki; Hayashi, Ikuyo; Moritani, Toshio; Nagai, Narumi

2016-01-01

There is evidence to support that mastication may contribute to the prevention of weight gain via reduction of appetite sensations and subsequent energy intake. However, the metabolic effect of mastication after consumption of a daily meal, composed of the staple food (rice), soup, main and side dishes, is limited. Therefore, the effect of thorough mastication on greater satiety and the thermic effect of a meal (TEM) was investigated in young women. In study 1, energy expenditure (EE) derived from masticatory muscle activity for 20 min was measured while chewing hard, tasteless, non-caloric gum in seven subjects. In study 2, ten subjects consumed a solid meal performing 30 chews per mouthful (30 CPM), or swallowed the same, pureed meal without chewing (0 CPM) on two separate days, and postprandial EE, substrate oxidation, subjective appetite ratings and autonomic nervous system (ANS) activity for 3 h were examined. Both test meals were iso-caloric (2,510 kJ) and -weighted (884 g), and consumed in 20 min. From study 1, the EE of mastication itself for the 20 min was estimated to be 3.7±0.8 kJ. From study 2, significantly higher TEM (134.2±15.5 vs. 67.8±13.8 kJ/3 h, p<0.001) as well as satiety (p=0.005), and tendency toward greater fat oxidation (p=0.090) and ANS activity (p=0.069) were observed after consumption of the meal with 30 CPM compared to 0 CPM. In conclusion, thorough mastication before swallowing increased postprandial satiety and the TEM in young women, suggesting such eating behavior may be useful for preventing obesity.

Effect of nitrogen segregation on TED and loss of phosphorus in CZ-Si

NASA Astrophysics Data System (ADS)

Fujiwara, N.; Saito, K.; Nakabayashi, Y.; Osuman, H. I.; Toyonaga, K.; Matsumoto, S.; Sato, Y.

2002-01-01

Transient enhanced diffusion (TED) and dose loss (pile-up) are investigated for phosphorus-implanted samples covered with both oxide and nitride films. P ions were implanted into p-type (1 0 0) CZ-Si (dose 5×10 13 cm-3, 100 keV) through a chemical vapor deposition (CVD) Si 3N 4 film. For a half of samples, Si 3N 4 was etched off and SiO 2 films were grown by CVD. Both samples were annealed for 20-360 min at 700 °C. Diffusivity of P and the dose loss were estimated based on the secondary-ion mass spectrometry (SIMS) P profiles. Both Si/Si 3N 4 and Si/SiO 2 interfaces were investigated with transmission electron microscopy (TEM) and electron energy-loss spectroscopy (EELS). There is no significant difference in P diffusivity between the SiO 2 and Si 3N 4 films for the present annealing condition of 700 °C for 20-360 min. Regarding dose loss, a distinct different behavior was observed. In case of the SiO 2 cover film, amount of dose decreases with the annealing time. On the other hand, amount of dose decrease with annealing time up to 180 min, but is recovered for more than 180 min in case of the Si 3N 4 cover film. From TEM and EELS analyses, it is found that nitrogen segregates at the Si/Si 3N 4 interface, resulting in recovery of dose loss.

Multi-Modalities Sensor Science

DTIC Science & Technology

2015-02-28

enhanced multi-mode sensor science. bio -sensing, cross-discipling, multi-physics, nano-technology sailing He +46-8790 8465 1 Final Report for SOARD Project...spectroscopy, nano-technology, biophotonics and multi-physics modeling to produce adaptable bio -nanostructure enhanced multi-mode sensor science. 1...adaptable bio -nanostructure enhanced multi-mode sensor science. The accomplishments includes 1) A General Method for Designing a Radome to Enhance

Radiotherapy May Offer a Recurrence and Survival Benefit in Rectal Cancers Treated Surgically with Transanal Endoscopic Microsurgery: A Systematic Review and Meta-analysis.

PubMed

Sideris, Michail; Donaldson, Ana Nora; Hanrahan, John; Grunwald, Matthew; Papagrigoriadis, Savvas

2018-04-01

Several studies report outcomes of Transanal Endoscopic Microsurgery (TEMS) surgery in combination with radiotherapy, however the combination of those treatments is provided mostly on an adhoc individual basis and the role of radiotherapy remains unclear. The aim of this study was to identify the effect of neo-adjuvant or adjuvant radiotherapy in the oncological outcomes of rectal cancer treated surgically with TEMS. We performed a systematic review of the literature on MEDLINE and Pubmed databases. Data were extracted by two independent reviewers and meta-analyzed using an inverse variance heterogeneity model to calculate overall (pooled) effect sizes for survival or recurrence of disease against neo+/-adjuvant treatment. A total of 48 studies were included in the qualitative meta-analysis which included 3,285 patients with rectal cancer. The overall survival odds ratio (OR), was 9.39 (95% CI=6.1-14.4) with a Cochran's Q variable of 151.7 on 47 degrees of freedom (d.f.) (p=0.000). Recurrence-free OR was 8.7 (95%CI=6.58-11.44) with a Cochran's Q variable of Q=145.2 on 44 d.f. (p=0.000). Studies which contained more than 10% of pT3 tumours, and provided neo+/-adjuvant treatment in more than 35% of cases, were associated with survival benefit, as demonstrated by an overall odds of survival of 32.2 (95%CI=16.3-63.5, p=0.001, Q=8.4, p=0.21). Studies that contained more than 10% of pT3 tumours and provided neo+/-adjuvant treatment in more than 20% of the cases had an overall effect size of recurrence-free odds of 20.23 (95%CI=13.84-29.57, p=0.000, Q=2.18, p=0.54). There seems to be a benefit from radiotherapy on overall survival and recurrence-free odds, which is more apparent in cohorts with more than 10% of pT3 tumours. Our results suggest that neo-adjuvant or adjuvant radiotherapy should be considered for inclusion in formal treatment protocols for rectal cancers treated with TEMS as they offer a recurrence and survival benefit. Copyright© 2018, International Institute of Anticancer Research (Dr. George J. Delinasios), All rights reserved.

3D morphological characterization of the polyamide active layer of RO and NF membranes using TEM and soft X-ray scattering

NASA Astrophysics Data System (ADS)

Culp, Tyler; Paul, Mou; Roy, Abhishek; Rosenberg, Steve; Behr, Michael; Kumar, Manish; Gomez, Enrique; Penn State Team; Dow Team

Polyamide-based thin-film composite (TFC) membranes used for reverse osmosis (RO) and nanofiltration (NF) separation processes are at the forefront of water desalination and purification technologies due to their high salt rejection, high energy efficiency, and ease of operation. Nevertheless, in spite of the benefits of RO and NF membranes, many open questions about the internal nanostructure of the membrane active layer remain, such as the dispersion and distribution of acid functional groups. We demonstrate that resonant soft X-ray scattering (RSOXS), where the X-ray energy is tuned to absorption edges of the constituent materials, is a powerful tool to examine the microstructure of the polyamide layer. In conjunction with complementary techniques such as transmission electron microscopy (TEM), where tomography is used to obtain a 3D reconstruction of the polyamide active layer, the effect of cross-linking can be quantified in 3D for a systematic series of membranes. This relationship can then be applied to a series of commercially available RO and NF membranes where the effect of polyamide cross-linking on their respective structure and water transport properties can be evaluated. The combination of RSOXS with traditional characterization tools provides a strategy for linking the chemical structure to the morphology and water transport properties of RO and NF membranes.

Multiphysics Analysis of Frequency Detuning in Superconducting RF Cavities for Proton Particle Accelerators

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

Awida, M. H.; Gonin, I.; Passarelli, D.

2016-01-22

Multiphysics analyses for superconducting cavities are essential in the course of cavity design to meet stringent requirements on cavity frequency detuning. Superconducting RF cavities are the core accelerating elements in modern particle accelerators whether it is proton or electron machine, as they offer extremely high quality factors thus reducing the RF losses per cavity. However, the superior quality factor comes with the challenge of controlling the resonance frequency of the cavity within few tens of hertz bandwidth. In this paper, we investigate how the multiphysics analysis plays a major role in proactively minimizing sources of frequency detuning, specifically; microphonics andmore » Lorentz Force Detuning (LFD) in the stage of RF design of the cavity and mechanical design of the niobium shell and the helium vessel.« less

Unsteady Cascade Aerodynamic Response Using a Multiphysics Simulation Code

NASA Technical Reports Server (NTRS)

Lawrence, C.; Reddy, T. S. R.; Spyropoulos, E.

2000-01-01

The multiphysics code Spectrum(TM) is applied to calculate the unsteady aerodynamic pressures of oscillating cascade of airfoils representing a blade row of a turbomachinery component. Multiphysics simulation is based on a single computational framework for the modeling of multiple interacting physical phenomena, in the present case being between fluids and structures. Interaction constraints are enforced in a fully coupled manner using the augmented-Lagrangian method. The arbitrary Lagrangian-Eulerian method is utilized to account for deformable fluid domains resulting from blade motions. Unsteady pressures are calculated for a cascade designated as the tenth standard, and undergoing plunging and pitching oscillations. The predicted unsteady pressures are compared with those obtained from an unsteady Euler co-de refer-red in the literature. The Spectrum(TM) code predictions showed good correlation for the cases considered.

Dry calibration of electromagnetic flowmeters based on numerical models combining multiple physical phenomena (multiphysics)

NASA Astrophysics Data System (ADS)

Fu, X.; Hu, L.; Lee, K. M.; Zou, J.; Ruan, X. D.; Yang, H. Y.

2010-10-01

This paper presents a method for dry calibration of an electromagnetic flowmeter (EMF). This method, which determines the voltage induced in the EMF as conductive liquid flows through a magnetic field, numerically solves a coupled set of multiphysical equations with measured boundary conditions for the magnetic, electric, and flow fields in the measuring pipe of the flowmeter. Specifically, this paper details the formulation of dry calibration and an efficient algorithm (that adaptively minimizes the number of measurements and requires only the normal component of the magnetic flux density as boundary conditions on the pipe surface to reconstruct the magnetic field involved) for computing the sensitivity of EMF. Along with an in-depth discussion on factors that could significantly affect the final precision of a dry calibrated EMF, the effects of flow disturbance on measuring errors have been experimentally studied by installing a baffle at the inflow port of the EMF. Results of the dry calibration on an actual EMF were compared against flow-rig calibration; excellent agreements (within 0.3%) between dry calibration and flow-rig tests verify the multiphysical computation of the fields and the robustness of the method. As requiring no actual flow, the dry calibration is particularly useful for calibrating large-diameter EMFs where conventional flow-rig methods are often costly and difficult to implement.

Multi-physics and multi-scale characterization of shale anisotropy

NASA Astrophysics Data System (ADS)

Sarout, J.; Nadri, D.; Delle Piane, C.; Esteban, L.; Dewhurst, D.; Clennell, M. B.

2012-12-01

Shales are the most abundant sedimentary rock type in the Earth's shallow crust. In the past decade or so, they have attracted increased attention from the petroleum industry as reservoirs, as well as more traditionally for their sealing capacity for hydrocarbon/CO2 traps or underground waste repositories. The effectiveness of both fundamental and applied shale research is currently limited by (i) the extreme variability of physical, mechanical and chemical properties observed for these rocks, and by (ii) the scarce data currently available. The variability in observed properties is poorly understood due to many factors that are often irrelevant for other sedimentary rocks. The relationships between these properties and the petrophysical measurements performed at the field and laboratory scales are not straightforward, translating to a scale dependency typical of shale behaviour. In addition, the complex and often anisotropic micro-/meso-structures of shales give rise to a directional dependency of some of the measured physical properties that are tensorial by nature such as permeability or elastic stiffness. Currently, fundamental understanding of the parameters controlling the directional and scale dependency of shale properties is far from complete. Selected results of a multi-physics laboratory investigation of the directional and scale dependency of some critical shale properties are reported. In particular, anisotropic features of shale micro-/meso-structures are related to the directional-dependency of elastic and fluid transport properties: - Micro-/meso-structure (μm to cm scale) characterization by electron microscopy and X-ray tomography; - Estimation of elastic anisotropy parameters on a single specimen using elastic wave propagation (cm scale); - Estimation of the permeability tensor using the steady-state method on orthogonal specimens (cm scale); - Estimation of the low-frequency diffusivity tensor using NMR method on orthogonal specimens (<μm scale). For each of the above properties, leading-edge experimental techniques have been associated with novel interpretation tools. In this contribution, these experimental and interpretation methods are described. Relationships between the measured properties and the corresponding micro-/meso-structural features are discussed. For example, P-wave velocity was measured along 100 different propagation paths on a single cylindrical shale specimen using miniature ultrasonic transducers. Assuming that (i) the elastic tensor of this shale is transversely isotropic; and (i) the sample has been cored perfectly perpendicular to the bedding plane (symmetry plane is horizontal), Thomsen's anisotropy parameters inverted from the measured velocities are: - P-wave velocity along the symmetry axis (perpendicular to the bedding plane) αo=3.45km/s; - P-wave anisotropy ɛ=0.12; - Parameter controlling the wave front geometry δ=0.058. A novel inversion algorithm allows for recovering these parameters without assuming a priori a horizontal bedding (symmetry) plane. The inversion of the same data set using this algorithm yields (i) αo=3.23km/s, ɛ=0.25 and δ=0.18, and (ii) the elastic symmetry axis is inclined of ω=30° with respect to the specimen's axis. Such difference can have strong impact on field applications (AVO, ray tracing, tomography).

Biomimetic synthesis of silver nanoparticles and evaluation of their catalytic activity towards degradation of methyl orange

NASA Astrophysics Data System (ADS)

Manjari Mishra, Pravat; Bihari Pani, Khirod

2017-11-01

This paper described the significant effect of process variables like reductant concentrations, substrate concentration, reaction pH and reaction temperature on the size, morphology and yield of the silver nanoparticles (AgNPs) synthesized using aqueous leaf extract of a medicinal plant Momordica charantia (Bitter guard). By means of UV-vis spectroscopy, XRD analysis, TEM analysis and Fluorescence analysis, it is observed that the reaction solution containing 10-3 M of AgNO3 of pH 5.3  +  10 ml of aqueous leaf extract at normal room temperature, was optimum for synthesis of stable, polydisperse, predominantly spherical AgNPs with average size of 12.15 nm. FT-IR and TEM studies confirmed the stability of AgNPs was due to the capping of phytoconstituents present in the leaf extract. The aqueous solution of leaf extract containing AgNPs showed remarkable catalytic activity towards degradation of methyl orange (MO) in aqueous medium.

High-order Spatio-temporal Schemes for Coupled, Multi-physics Reactor Simulations

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

Mr. Vijay S. Mahadevan; Dr. Jean C. Ragusa

2008-09-01

This report summarizes the work done in the summer of 08 by the Ph.D. student Vijay Mahadevan. The main focus of the work was to coupled 3-D neutron difusion to 3-D heat conduction in parallel with accuracy greater than or equal to 2nd order in space and time. Results show that the goal was attained.

International Spread and Persistence of TEM-24 Is Caused by the Confluence of Highly Penetrating Enterobacteriaceae Clones and an IncA/C2 Plasmid Containing Tn1696::Tn1 and IS5075-Tn21▿

PubMed Central

Novais, Ângela; Baquero, Fernando; Machado, Elisabete; Cantón, Rafael; Peixe, Luísa; Coque, Teresa M.

2010-01-01

TEM-24 remains one of the most widespread TEM-type extended-spectrum β-lactamases (ESBLs) among Enterobacteriaceae. To analyze the reasons influencing its spread and persistence, a multilevel population genetics study was carried out on 28 representative TEM-24 producers from Belgium, France, Portugal, and Spain (13 Enterobacter aerogenes isolates, 6 Escherichia coli isolates, 6 Klebsiella pneumoniae isolates, 2 Proteus mirabilis isolates, and 1 Klebsiella oxytoca isolate, from 1998 to 2004). Clonal relatedness (XbaI pulsed-field gel electrophoresis [PFGE] and E. coli phylogroups) and antibiotic susceptibility were determined by standard procedures. Plasmid analysis included determination of the incompatibility group (by PCR, hybridization, and/or sequencing) and comparison of restriction fragment length polymorphism (RFLP) patterns. Characterization of genetic elements conferring antibiotic resistance included integrons (classes 1, 2, and 3) and transposons (Tn3, Tn21, and Tn402). Similar PFGE patterns were identified among E. aerogenes, K. pneumoniae, and P. mirabilis isolates, while E. coli strains were diverse (phylogenetic groups A, B2, and D). Highly related 180-kb IncA/C2 plasmids conferring resistance to kanamycin, tobramycin, chloramphenicol, trimethoprim, and sulfonamides were identified. Each plasmid contained defective In0-Tn402 (dfrA1-aadA1, aacA4, or aacA4-aacC1-orfE-aadA2-cmlA1) and In4-Tn402 (aacA4 or dfrA1-aadA1) variants. These integrons were located within Tn21, Tn1696, or hybrids of these transposons, with IS5075 interrupting their IRtnp and IRmer. In all cases, blaTEM-24 was part of an IS5075-ΔTn1 transposon within tnp1696, mimicking other genetic elements containing blaTEM-2 and blaTEM-3 variants. The international dissemination of TEM-24 is fuelled by an IncA/C2 plasmid acquired by different enterobacterial clones which seem to evolve by gaining diverse genetic elements. This work highlights the risks of a confluence between highly penetrating clones and highly promiscuous plasmids in the spread of antibiotic resistance, and it contributes to the elucidation of the origin and evolution of TEM-2 ESBL derivatives. PMID:19995930

A Posteriori Error Analysis and Uncertainty Quantification for Adaptive Multiscale Operator Decomposition Methods for Multiphysics Problems

DTIC Science & Technology

2014-04-01

Barrier methods for critical exponent problems in geometric analysis and mathematical physics, J. Erway and M. Holst, Submitted for publication ...TR-14-33 A Posteriori Error Analysis and Uncertainty Quantification for Adaptive Multiscale Operator Decomposition Methods for Multiphysics...Problems Approved for public release, distribution is unlimited. April 2014 HDTRA1-09-1-0036 Donald Estep and Michael

In situ TEM of radiation effects in complex ceramics.

PubMed

Lian, Jie; Wang, L M; Sun, Kai; Ewing, Rodney C

2009-03-01

In situ transmission electron microscopy (TEM) has been extensively applied to study radiation effects in a wide variety of materials, such as metals, ceramics and semiconductors and is an indispensable tool in obtaining a fundamental understanding of energetic beam-matter interactions, damage events, and materials' behavior under intense radiation environments. In this article, in situ TEM observations of radiation effects in complex ceramics (e.g., oxides, silicates, and phosphates) subjected to energetic ion and electron irradiations have been summarized with a focus on irradiation-induced microstructural evolution, changes in microchemistry, and the formation of nanostructures. New results for in situ TEM observation of radiation effects in pyrochlore, A(2)B(2)O(7), and zircon, ZrSiO(4), subjected to multiple beam irradiations are presented, and the effects of simultaneous irradiations of alpha-decay and beta-decay on the microstructural evolution of potential nuclear waste forms are discussed. Furthermore, in situ TEM results of radiation effects in a sodium borosilicate glass subjected to electron-beam exposure are introduced to highlight the important applications of advanced analytical TEM techniques, including Z-contrast imaging, energy filtered TEM (EFTEM), and electron energy loss spectroscopy (EELS), in studying radiation effects in materials microstructural evolution and microchemical changes. By combining ex situ TEM and advanced analytical TEM techniques with in situ TEM observations under energetic beam irradiations, one can obtain invaluable information on the phase stability and response behaviors of materials under a wide range of irradiation conditions. (c) 2009 Wiley-Liss, Inc.

Development of thermal model to analyze thermal flux distribution in thermally enhanced machining of high chrome white cast iron

NASA Astrophysics Data System (ADS)

Ravi, A. M.; Murigendrappa, S. M.

2018-04-01

In recent times, thermally enhanced machining (TEM) slowly gearing up to cut hard metals like high chrome white cast iron (HCWCI) which were impossible in conventional procedures. Also setting up of suitable cutting parameters and positioning of the heat source against the work appears to be critical in order to enhance the machinability characteristics of the work material. In this research work, the Oxy - LPG flame was used as the heat source and HCWCI as the workpiece. ANSYS-CFD-Flow software was used to develop the transient thermal model to analyze the thermal flux distribution on the work surface during TEM of HCWCI using Cubic boron nitride (CBN) tools. Non-contact type Infrared thermo sensor was used to measure the surface temperature continuously at different positions, and is validated with the thermal model results. The result confirms thermal model is a better predictive tool for thermal flux distribution analysis in TEM process.

Data-driven multi-scale multi-physics models to derive process-structure-property relationships for additive manufacturing

NASA Astrophysics Data System (ADS)

Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Lian, Yanping; Yu, Cheng; Liu, Zeliang; Yan, Jinhui; Wolff, Sarah; Wu, Hao; Ndip-Agbor, Ebot; Mozaffar, Mojtaba; Ehmann, Kornel; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

2018-05-01

Additive manufacturing (AM) possesses appealing potential for manipulating material compositions, structures and properties in end-use products with arbitrary shapes without the need for specialized tooling. Since the physical process is difficult to experimentally measure, numerical modeling is a powerful tool to understand the underlying physical mechanisms. This paper presents our latest work in this regard based on comprehensive material modeling of process-structure-property relationships for AM materials. The numerous influencing factors that emerge from the AM process motivate the need for novel rapid design and optimization approaches. For this, we propose data-mining as an effective solution. Such methods—used in the process-structure, structure-properties and the design phase that connects them—would allow for a design loop for AM processing and materials. We hope this article will provide a road map to enable AM fundamental understanding for the monitoring and advanced diagnostics of AM processing.

Data-driven multi-scale multi-physics models to derive process-structure-property relationships for additive manufacturing

NASA Astrophysics Data System (ADS)

Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Lian, Yanping; Yu, Cheng; Liu, Zeliang; Yan, Jinhui; Wolff, Sarah; Wu, Hao; Ndip-Agbor, Ebot; Mozaffar, Mojtaba; Ehmann, Kornel; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

2018-01-01

Additive manufacturing (AM) possesses appealing potential for manipulating material compositions, structures and properties in end-use products with arbitrary shapes without the need for specialized tooling. Since the physical process is difficult to experimentally measure, numerical modeling is a powerful tool to understand the underlying physical mechanisms. This paper presents our latest work in this regard based on comprehensive material modeling of process-structure-property relationships for AM materials. The numerous influencing factors that emerge from the AM process motivate the need for novel rapid design and optimization approaches. For this, we propose data-mining as an effective solution. Such methods—used in the process-structure, structure-properties and the design phase that connects them—would allow for a design loop for AM processing and materials. We hope this article will provide a road map to enable AM fundamental understanding for the monitoring and advanced diagnostics of AM processing.

SHV-7, a novel cefotaxime-hydrolyzing beta-lactamase, identified in Escherichia coli isolates from hospitalized nursing home patients.

PubMed Central

Bradford, P A; Urban, C; Jaiswal, A; Mariano, N; Rasmussen, B A; Projan, S J; Rahal, J J; Bush, K

1995-01-01

Four ceftazidime-resistant Escherichia coli strains were isolated from elderly nursing home patients in a New York hospital during 1993. Strains MCQ-2, MCQ-3, and MCQ-4 were determined to be identical by pulsed-field gel electrophoresis and plasmid profiles, whereas strain MCQ-1 was unique. Strain MCQ-1 was determined to produce a TEM-10 beta-lactamase. Strains MCQ-2, MCQ-3, and MCQ-4 were also noted to be resistant to cefotaxime. These three strains produced two beta-lactamases with pIs of 5.4 (TEM-1) and 7.6. beta-Lactamase assays revealed that the pI 7.6 enzyme hydrolyzed cefotaxime faster (at a relative hydrolysis rate of 30% compared with that of benzylpenicillin) than either ceftazidime or aztreonam (relative hydrolysis rates of 13 and 3.3%, respectively). Nucleotide sequencing of the gene encoding the pI 7.6 beta-lactamase from strain MCQ-3 revealed a blaSHV-type gene differing from the gene encoding SHV-1 at four nucleotides which resulted in amino acid substitutions: phenylalanine for isoleucine at position 8, serine for arginine at position 43, serine for glycine at position 238, and lysine for glutamate at position 240. This novel SHV-type extended-spectrum beta-lactamase is designated SHV-7. PMID:7785992

Shell structure of natural rubber particles: evidence of chemical stratification by electrokinetics and cryo-TEM.

PubMed

Rochette, Christophe N; Crassous, Jérôme J; Drechsler, Markus; Gaboriaud, Fabien; Eloy, Marie; de Gaudemaris, Benoît; Duval, Jérôme F L

2013-11-26

The interfacial structure of natural rubber (NR) colloids is investigated by means of cryogenic transmission electron microscopy (cryo-TEM) and electrokinetics over a broad range of KNO3 electrolyte concentrations (4-300 mM) and pH values (1-8). The asymptotic plateau value reached by NR electrophoretic mobility (μ) in the thin double layer limit supports the presence of a soft (ion- and water-permeable) polyelectrolytic type of layer located at the periphery of the NR particles. This property is confirmed by the analysis of the electron density profile obtained from cryo-TEM that evidences a ∼2-4 nm thick corona surrounding the NR polyisoprene core. The dependence of μ on pH and salt concentration is further marked by a dramatic decrease of the point of zero electrophoretic mobility (PZM) from 3.6 to 0.8 with increasing electrolyte concentration in the range 4-300 mM. Using a recent theory for electrohydrodynamics of soft multilayered particles, this "anomalous" dependence of the PZM on electrolyte concentration is shown to be consistent with a radial organization of anionic and cationic groups across the peripheral NR structure. The NR electrokinetic response in the pH range 1-8 is indeed found to be equivalent to that of particles surrounded by a positively charged ∼3.5 nm thick layer (mean dissociation pK ∼ 4.2) supporting a thin and negatively charged outermost layer (0.6 nm in thickness, pK ∼ 0.7). Altogether, the strong dependence of the PZM on electrolyte concentration suggests that the electrostatic properties of the outer peripheral region of the NR shell are mediated by lipidic residues protruding from a shell containing a significant amount of protein-like charges. This proposed NR shell interfacial structure questions previously reported NR representations according to which the shell consists of either a fully mixed lipid-protein layer, or a layer of phospholipids residing exclusively beneath an outer proteic film.

Elevated-temperature Deformation Mechanisms in Ta2C: An Experimental Study

DTIC Science & Technology

2013-01-01

result, tan- talum carbides have found uses in a variety of wear- resis - tant applications including machine tooling, coatings for injection molding...HIP billet. In addition , the near surface of the bil- let was mechanically ground to remove any possible inter- diffusion reaction zone between the...mounted in a conductive epoxy for handling. TEM foils were prepared by ultrasonically drilling 3 mm discs from the cross-sections using a Fischione

Opto-Electronically Efficient Conjugated Polymers by Stress-Induced Molecular Constraints

DTIC Science & Technology

2012-07-15

TEM, JEOL JEM-2010) and checked by weight losses obtained from the thermogravimetric scans (TGA, Perkin-Elmer).[49-55] Scheme 1. Grafting P3HT...further analysis of the conduction pathways, e.g., the linear resistance networks,[40] but even without it, the jump frequency is predicted to...Nanocomposites: CNT Surface grafting, p-p interactions, and Gold Nanoparticles adsorption effect, Mater Thesis, Department of Materials Science and Engineering

Influence of tumor microenvironment on prognosis in colorectal cancer: Tissue architecture-dependent signature of endosialin (TEM-1) and associated proteins

PubMed Central

O'Shannessy, Daniel J.; Somers, Elizabeth B.; Chandrasekaran, Lakshmi K.; Nicolaides, Nicholas C.; Bordeaux, Jennifer; Gustavson, Mark D.

2014-01-01

Tumor survival is influenced by interactions between tumor cells and the stromal microenvironment. One example is Endosialin (Tumor Endothelial Marker-1 (TEM-1) or CD248), which is expressed primarily by cells of mesenchymal origin and some tumor cells. The expression, as a function of architectural masking, of TEM-1 and its pathway-associated proteins was quantified and examined for association with five-year disease-specific survival on a colorectal cancer (CRC) cohort divided into training (n=330) and validation (n=164) sets. Although stromal expression of TEM-1 had prognostic value, a more significant prognostic signature was obtained through linear combination of five compartment-specific expression scores (TEM-1 Stroma, TEM-1 Tumor Vessel, HIF2α Stromal Vessel, Collagen IV Tumor, and Fibronectin Stroma). This resulted in a single continuous risk score (TAPPS: TEM-1 Associated Pathway Prognostic Signature) which was significantly associated with decreased survival on both the training set [HR=1.76 (95%CI: 1.44-2.15); p<0.001] and validation set [HR=1.38 (95%CI: 1.02-1.88); p=0.04]. Importantly, since prognosis is a critical clinical question in Stage II patients, the TAPPS score also significantly predicted survival in the Stage II patient (n=126) cohort [HR=1.75 (95%CI: 1.22-2.52); p=0.002] suggesting the potential of using the TAPPS score to assess overall risk in CRC patients, and specifically in Stage II patients. PMID:24980818

Discipline-based planetary education research and computational fluid dynamics analysis of Mars

NASA Astrophysics Data System (ADS)

Coba, Filis

This thesis originates from the testing and implementation of an IRB-approved interactive animation designed to help students understand what causes The Reasons For The Seasons (RFTS) on Earth. Results from the testing indicated a small improvement in student understanding after exposure to the animation. Next, using the 3-D mapping tool Google Earth, students explored seasons and other planetary features on Mercury, Venus, the Moon and Mars through IRB-approved interactive tours which were developed and tested for astronomy education. Results from the tests indicated that there were statistically significant learning gains (p-value < 0.05) after students interacted with the tours compared to those who did not. The development of the tours inspired a geophysics study of the possibility of former plate motion (or plate tectonics) on Mars. A 2-D finite element convection model for the mantle of Mars was designed and solved using COMSOL Multiphysics 5.1, to investigate whether or not thermal gradients in a Mars-sized planet could cause vigorous upper mantle convection, consistent with plate tectonic processes. Results from this project indicated that stable convection could occur in the interior of a Mars-like planet assuming the presence of sufficiently high thermal gradients at about 0.8 times the mantle temperature of Earth. The convective patterns resembled hot upwelling and cool downwelling which may be similar to subduction-like features. Furthermore, increasing the temperature of the hot boundaries resulted in faster, more rigorous convective motions and a hotter average temperature.

CD40L+ CD4+ memory T cells migrate in a CD62P-dependent fashion into reactive lymph nodes and license dendritic cells for T cell priming

PubMed Central

Martín-Fontecha, Alfonso; Baumjohann, Dirk; Guarda, Greta; Reboldi, Andrea; Hons, Miroslav; Lanzavecchia, Antonio; Sallusto, Federica

2008-01-01

There is growing evidence that the maturation state of dendritic cells (DCs) is a critical parameter determining the balance between tolerance and immunity. We report that mouse CD4+ effector memory T (TEM) cells, but not naive or central memory T cells, constitutively expressed CD40L at levels sufficient to induce DC maturation in vitro and in vivo in the absence of antigenic stimulation. CD4+ TEM cells were excluded from resting lymph nodes but migrated in a CD62P-dependent fashion into reactive lymph nodes that were induced to express CD62P, in a transient or sustained fashion, on high endothelial venules. Trafficking of CD4+ TEM cells into chronic reactive lymph nodes maintained resident DCs in a mature state and promoted naive T cell responses and experimental autoimmune encephalomyelitis (EAE) to antigens administered in the absence of adjuvants. Antibodies to CD62P, which blocked CD4+ TEM cell migration into reactive lymph nodes, inhibited DC maturation, T cell priming, and induction of EAE. These results show that TEM cells can behave as endogenous adjuvants and suggest a mechanistic link between lymphocyte traffic in lymph nodes and induction of autoimmunity. PMID:18838544

Characteristics of Mg-doped and In-Mg co-doped p-type GaN epitaxial layers grown by metal organic chemical vapour deposition

NASA Astrophysics Data System (ADS)

Chung, S. J.; Senthil Kumar, M.; Lee, Y. S.; Suh, E.-K.; An, M. H.

2010-05-01

Mg-doped and In-Mg co-doped p-type GaN epilayers were grown using the metal organic chemical vapour deposition technique. The effect of In co-doping on the physical properties of p-GaN layer was examined by high resolution x-ray diffraction (HRXRD), transmission electron microscopy (TEM), Hall effect, photoluminescence (PL) and persistent photoconductivity (PPC) at room temperature. An improved crystalline quality and a reduction in threading dislocation density are evidenced upon In doping in p-GaN from HRXRD and TEM images. Hole conductivity, mobility and carrier density also significantly improved by In co-doping. PL studies of the In-Mg co-doped sample revealed that the peak position is blue shifted to 3.2 eV from 2.95 eV of conventional p-GaN and the PL intensity is increased by about 25%. In addition, In co-doping significantly reduced the PPC effect in p-type GaN layers. The improved electrical and optical properties are believed to be associated with the active participation of isolated Mg impurities.

Computational Study of 3-D Hot-Spot Initiation in Shocked Insensitive High-Explosive

NASA Astrophysics Data System (ADS)

Najjar, F. M.; Howard, W. M.; Fried, L. E.

2011-06-01

High explosive shock sensitivity is controlled by a combination of mechanical response, thermal properties, and chemical properties. The interplay of these physical phenomena in realistic condensed energetic materials is currently lacking. A multiscale computational framework is developed investigating hot spot (void) ignition in a single crystal of an insensitive HE, TATB. Atomistic MD simulations are performed to provide the key chemical reactions and these reaction rates are used in 3-D multiphysics simulations. The multiphysics code, ALE3D, is linked to the chemistry software, Cheetah, and a three-way coupled approach is pursued including hydrodynamics, thermal and chemical analyses. A single spherical air bubble is embedded in the insensitive HE and its collapse due to shock initiation is evolved numerically in time; while the ignition processes due chemical reactions are studied. Our current predictions showcase several interesting features regarding hot spot dynamics including the formation of a ``secondary'' jet. Results obtained with hydro-thermo-chemical processes leading to ignition growth will be discussed for various pore sizes and different shock pressures. LLNL-ABS-471438. This work performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.

TEM-nanoindentation studies of semiconducting structures.

PubMed

Le Bourhis, E; Patriarche, G

2007-01-01

This paper reviews the application of nanoindentation coupled with transmission electron microscopy (TEM) to investigations of the plastic behaviour of semiconducting structures and its implication for device design. Instrumented nanoindentation has been developed to extract the mechanical behaviour of small volumes scaled to those encountered in semiconductor heterostructures. We illustrate that TEM is a powerful complementary tool for the study of local plasticity induced by nanoindentation. TEM-nanoindentation allows for detailed understanding of the plastic deformation in semiconducting structures and opens practical routes for improvement of devices. Performances of heterostructures are deteriously affected by dislocations that relax the lattice mismatched layers. Different ways to obtain compliant substructures are being developed in order to concentrate the plastic relaxation underneath the heterostructure. Such approaches allow for mechanical design of micro- and opto-electronic devices to be considered throughout the fabrication process.

A Structural Study of Escherichia coli Cells Using an In Situ Liquid Chamber TEM Technology.

PubMed

Wang, Yibing; Chen, Xin; Cao, Hongliang; Deng, Chao; Cao, Xiaodan; Wang, Ping

2015-01-01

Studying cell microstructures and their behaviors under living conditions has been a challenging subject in microbiology. In this work, in situ liquid chamber TEM was used to study structures of Escherichia coli cells in aqueous solutions at a nanometer-scale resolution. Most of the cells remained intact under electron beam irradiation, and nanoscale structures were observed during the TEM imaging. The analysis revealed structures of pili surrounding the E. coli cells; the movements of the pili in the liquid were also observed during the in situ tests. This technology also allowed the observation of features of the nucleoid in the E. coli cells. Overall, in situ TEM can be applied as a valuable tool to study real-time microscopic structures and processes in microbial cells residing in native aqueous solutions.

Advances in High-Fidelity Multi-Physics Simulation Techniques

DTIC Science & Technology

2008-01-01

predictor - corrector method is used to advance the solution in time. 33 x (m) y (m ) 0 1 2 3.00001 0 1 2 3 4 5 40 x 50 Grid 3 Figure 17: Typical...Unclassified c . THIS PAGE Unclassified 17. LIMITATION OF ABSTRACT: SAR 18. NUMBER OF PAGES 60 Datta Gaitonde 19b. TELEPHONE...advanced parallel computing platforms. The motivation to develop high-fidelity algorithms derives from considerations in various areas of current

Incidence and mechanisms of resistance to the combination of amoxicillin and clavulanic acid in Escherichia coli.

PubMed Central

Stapleton, P; Wu, P J; King, A; Shannon, K; French, G; Phillips, I

1995-01-01

Among Escherichia coli organisms isolated at St. Thomas's Hospital during the years 1990 to 1994, the frequency of resistance to amoxicillin-clavulanic acid (tested by disk diffusion in a ratio of 2:1) remained constant at about 5% of patient isolates (10 to 15% of the 41 to 45% that were amoxicillin resistant). Mechanisms of increased resistance were determined for 72 consecutively collected such amoxicillin-clavulanic acid-resistant isolates. MICs of the combination were 16-8 micrograms/ml for 51 (71%) of these and > or = 32-16 micrograms/ml for the remainder. The predominant mechanism was hyperproduction of enzymes isoelectrically cofocusing with TEM-1 (beta-lactamase activities, > 200 nmol of nitrocefin hydrolyzed per min per mg of protein) which was found in 44 isolates (61%); two isolates produced smaller amounts (approximately 150 nmol/min/mg) of such enzymes, and two isolates hyperproduced enzymes cofocusing with TEM-2. Eleven isolates produced enzymes cofocusing with OXA-1 beta-lactamase, which has previously been associated with resistance to amoxicillin-clavulanic acid. Ten isolates produced increased amounts of chromosomal beta-lactamase, and four of these additionally produced TEM-1 or TEM-2. Three isolates produced inhibitor-resistant TEM-group enzymes. In one of the enzymes (pI, 5.4), the amino acid sequence change was Met-67-->Val, and thus the enzyme is identical to TEM-34. Another (pI, 5.4) had the substitution Met-67-->Ile and is identical to IRT-I67, which we propose now be given the designation TEM-40. The third (pI, 5.2) had the substitution Arg-241-->Thr; this enzyme has not been reported previously and should be called TEM-41. The rarity and diversity of inhibitor-resistant TEM-group enzymes suggest that they are the result of spontaneous mutations that have not yet spread. PMID:8585729

Applications of ANSYS/Multiphysics at NASA/Goddard Space Flight Center

NASA Technical Reports Server (NTRS)

Loughlin, Jim

2007-01-01

This viewgraph presentation reviews some of the uses that the ANSYS/Multiphysics system is used for at the NASA Goddard Space Flight Center. Some of the uses of the ANSYS system is used for is MEMS Structural Analysis of Micro-mirror Array for the James Web Space Telescope (JWST), Micro-shutter Array for JWST, MEMS FP Tunable Filter, AstroE2 Micro-calorimeter. Various views of these projects are shown in this presentation.

COMPUTATIONAL CHALLENGES IN BUILDING MULTI-SCALE AND MULTI-PHYSICS MODELS OF CARDIAC ELECTRO-MECHANICS

PubMed Central

Plank, G; Prassl, AJ; Augustin, C

2014-01-01

Despite the evident multiphysics nature of the heart – it is an electrically controlled mechanical pump – most modeling studies considered electrophysiology and mechanics in isolation. In no small part, this is due to the formidable modeling challenges involved in building strongly coupled anatomically accurate and biophyically detailed multi-scale multi-physics models of cardiac electro-mechanics. Among the main challenges are the selection of model components and their adjustments to achieve integration into a consistent organ-scale model, dealing with technical difficulties such as the exchange of data between electro-physiological and mechanical model, particularly when using different spatio-temporal grids for discretization, and, finally, the implementation of advanced numerical techniques to deal with the substantial computational. In this study we report on progress made in developing a novel modeling framework suited to tackle these challenges. PMID:24043050

Analysis of image formation in optical coherence elastography using a multiphysics approach

PubMed Central

Chin, Lixin; Curatolo, Andrea; Kennedy, Brendan F.; Doyle, Barry J.; Munro, Peter R. T.; McLaughlin, Robert A.; Sampson, David D.

2014-01-01

Image formation in optical coherence elastography (OCE) results from a combination of two processes: the mechanical deformation imparted to the sample and the detection of the resulting displacement using optical coherence tomography (OCT). We present a multiphysics model of these processes, validated by simulating strain elastograms acquired using phase-sensitive compression OCE, and demonstrating close correspondence with experimental results. Using the model, we present evidence that the approximation commonly used to infer sample displacement in phase-sensitive OCE is invalidated for smaller deformations than has been previously considered, significantly affecting the measurement precision, as quantified by the displacement sensitivity and the elastogram signal-to-noise ratio. We show how the precision of OCE is affected not only by OCT shot-noise, as is usually considered, but additionally by phase decorrelation due to the sample deformation. This multiphysics model provides a general framework that could be used to compare and contrast different OCE techniques. PMID:25401007

Effects of particle reinforcement and ECAP on the precipitation kinetics of an Al-Cu alloy

NASA Astrophysics Data System (ADS)

Härtel, M.; Wagner, S.; Frint, P.; F-X Wagner, M.

2014-08-01

The precipitation kinetics of Al-Cu alloys have recently been revisited in various studies, considering either the effect of severe plastic deformation (e.g., by equal-channel angular pressing - ECAP), or the effect of particle reinforcements. However, it is not clear how these effects interact when ECAP is performed on particle-reinforced alloys. In this study, we analyze how a combination of particle reinforcement and ECAP affects precipitation kinetics. After solution annealing, an AA2017 alloy (initial state: base material without particle reinforcement); AA2017 + 10 vol.-% Al2O3; and AA2017 + 10 vol.-% SiC were deformed in one pass in a 120° ECAP tool at a temperature of 140°C. Systematic differential scanning calorimetry (DSC) measurements of each condition were carried out. TEM specimens were prepared out of samples from additional DSC measurements, where the samples were immediately quenched in liquid nitrogen after reaching carefully selected temperatures. TEM analysis was performed to characterize the morphology of the different types of precipitates, and to directly relate microstructural information to the endo- and exothermic peaks in our DSC data. Our results show that both ECAP and particle reinforcement are associated with a shift of exothermic precipitation peaks towards lower temperatures. This effect is even more pronounced when ECAP and particle reinforcement are combined. The DSC data agrees well with our TEM observations of nucleation and morphology of different precipitates, indicating that DSC measurements are an appropriate tool for the analysis of how severe plastic deformation and particle reinforcement affect precipitation kinetics in Al-Cu alloys.

Modeling, simulation, and fabrication of a fully integrated, acid-stable, scalable solar-driven water-splitting system.

PubMed

Walczak, Karl; Chen, Yikai; Karp, Christoph; Beeman, Jeffrey W; Shaner, Matthew; Spurgeon, Joshua; Sharp, Ian D; Amashukeli, Xenia; West, William; Jin, Jian; Lewis, Nathan S; Xiang, Chengxiang

2015-02-01

A fully integrated solar-driven water-splitting system comprised of WO3 /FTO/p(+) n Si as the photoanode, Pt/TiO2 /Ti/n(+) p Si as the photocathode, and Nafion as the membrane separator, was simulated, assembled, operated in 1.0 M HClO4 , and evaluated for performance and safety characteristics under dual side illumination. A multi-physics model that accounted for the performance of the photoabsorbers and electrocatalysts, ion transport in the solution electrolyte, and gaseous product crossover was first used to define the optimal geometric design space for the system. The photoelectrodes and the membrane separators were then interconnected in a louvered design system configuration, for which the light-absorbing area and the solution-transport pathways were simultaneously optimized. The performance of the photocathode and the photoanode were separately evaluated in a traditional three-electrode photoelectrochemical cell configuration. The photocathode and photoanode were then assembled back-to-back in a tandem configuration to provide sufficient photovoltage to sustain solar-driven unassisted water-splitting. The current-voltage characteristics of the photoelectrodes showed that the low photocurrent density of the photoanode limited the overall solar-to-hydrogen (STH) conversion efficiency due to the large band gap of WO3 . A hydrogen-production rate of 0.17 mL hr(-1) and a STH conversion efficiency of 0.24 % was observed in a full cell configuration for >20 h with minimal product crossover in the fully operational, intrinsically safe, solar-driven water-splitting system. The solar-to-hydrogen conversion efficiency, ηSTH , calculated using the multiphysics numerical simulation was in excellent agreement with the experimental behavior of the system. The value of ηSTH was entirely limited by the performance of the photoelectrochemical assemblies employed in this study. The louvered design provides a robust platform for implementation of various types of photoelectrochemical assemblies, and can provide an approach to significantly higher solar conversion efficiencies as new and improved materials become available. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Isolatable organophosphorus(III)-tellurium heterocycles.

PubMed

Nordheider, Andreas; Chivers, Tristram; Schön, Oliver; Karaghiosoff, Konstantin; Athukorala Arachchige, Kasun S; Slawin, Alexandra M Z; Woollins, J Derek

2014-01-13

A new structural arrangement Te3 (RP(III) )3 and the first crystal structures of organophosphorus(III)-tellurium heterocycles are presented. The heterocycles can be stabilized and structurally characterized by the appropriate choice of substituents in Tem (P(III) R)n (m=1: n=2, R=OMes* (Mes*=supermesityl or 2,4,6-tri-tert-butylphenyl); n=3, R=adamantyl (Ad); n=4, R=ferrocene (Fc); m=n=3: R=trityl (Trt), Mesor by the installation of a P(V) 2 N2 anchor in RP(III) [TeP(V) (tBuN)(μ-NtBu)]2 (R=Ad, tBu). Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterizing the Three-Dimensional Structure of Block Copolymers via Sequential Infiltration Synthesis and Scanning Transmission Electron Tomography

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

Segal-Peretz, Tamar; Winterstein, Jonathan; Doxastakis, Manolis

Understanding and controlling the three-dimensional structure of block copolymer (BCP) thin films is critical for utilizing these materials for sub-20 nm nanopatterning in semiconductor devices, as well as in membranes and solar cell applications. Combining an atomic layer deposition (ALD) based technique for enhancing the contrast of BCPs in transmission electron microscopy (TEM) together with scanning TEM (STEM) tomography reveals and characterizes the three-dimensional structures of poly(styrene-block-methyl methacrylate) (PS-b-PMMA) thin films with great clarity. Sequential infiltration synthesis (SIS), a block-selective technique for growing inorganic materials in BCPs films in ALD, and an emerging tool for enhancing the etch contrast ofmore » BCPs, was harnessed to significantly enhance the high-angle scattering from the polar domains of BCP films in the TEM. The power of combining SIS and STEM tomography for three dimensional (3D) characterization of BCPs films was demonstrated with the following cases: self-assembled cylindrical, lamellar, and spherical PS-PMMA thin films. In all cases, STEM tomography has revealed 3D structures that were hidden underneath the surface, including: 1) the 3D structure of defects in cylindrical and lamellar phases, 2) non-perpendicular 3D surface of grain boundaries in the cylindrical phase, and 3) the 3D arrangement of spheres in body centered cubic (BCC) and hexagonal closed pack (HCP) morphologies in the spherical phase. The 3D data of the spherical morphologies was compared to coarse-grained simulations and assisted in validating the simulations’ parameters. STEM tomography of SIS-treated BCP films enables the characterization of the exact structure used for pattern transfer, and can lead to better understating of the physics which is utilized in BCP lithography.« less

Prediction of ozone concentration in tropospheric levels using artificial neural networks and support vector machine at Rio de Janeiro, Brazil

NASA Astrophysics Data System (ADS)

Luna, A. S.; Paredes, M. L. L.; de Oliveira, G. C. G.; Corrêa, S. M.

2014-12-01

It is well known that air quality is a complex function of emissions, meteorology and topography, and statistical tools provide a sound framework for relating these variables. The observed data were contents of nitrogen dioxide (NO2), nitrogen monoxide (NO), nitrogen oxides (NOx), carbon monoxide (CO), ozone (O3), scalar wind speed (SWS), global solar radiation (GSR), temperature (TEM), moisture content in the air (HUM), collected by a mobile automatic monitoring station at Rio de Janeiro City in two places of the metropolitan area during 2011 and 2012. The aims of this study were: (1) to analyze the behavior of the variables, using the method of PCA for exploratory data analysis; (2) to propose forecasts of O3 levels from primary pollutants and meteorological factors, using nonlinear regression methods like ANN and SVM, from primary pollutants and meteorological factors. The PCA technique showed that for first dataset, variables NO, NOx and SWS have a greater impact on the concentration of O3 and the other data set had the TEM and GSR as the most influential variables. The obtained results from the nonlinear regression techniques ANN and SVM were remarkably closely and acceptable to one dataset presenting coefficient of determination for validation respectively 0.9122 and 0.9152, and root mean square error of 7.66 and 7.85, respectively. For these datasets, the PCA, SVM and ANN had demonstrated their robustness as useful tools for evaluation, and forecast scenarios for air quality.

Unveiling the stimulatory effects of tartrazine on human and bovine serum albumin fibrillogenesis: Spectroscopic and microscopic study

NASA Astrophysics Data System (ADS)

Al-Shabib, Nasser Abdulatif; Khan, Javed Masood; Alsenaidy, Mohammad A.; Alsenaidy, Abdulrahman M.; Khan, Mohd Shahnawaz; Husain, Fohad Mabood; Khan, Mohammad Rashid; Naseem, Mohammad; Sen, Priyankar; Alam, Parvez; Khan, Rizwan Hasan

2018-02-01

Amyloid fibrils are playing key role in the pathogenesis of various neurodegenerative diseases. Generally anionic molecules are known to induce amyloid fibril in several proteins. In this work, we have studied the effect of anionic food additive dye i.e., tartrazine (TZ) on the amyloid fibril formation of human serum albumins (HSA) and bovine serum albumin (BSA) at pHs 7.4 and 3.5. We have employed various biophysical methods like, turbidity measurements, Rayleigh Light Scattering (RLS), Dynamic Light Scattering (DLS), intrinsic fluorescence, Congo red assay, far-UV CD, transmission electron microscopy (TEM) and atomic force microscopy (AFM) to decipher the mechanism of TZ-induce amyloid fibril formation in both the serum albumins at pHs 7.4 and 3.5. The obtained results suggest that both the albumins forms amyloid-like aggregates in the presence of 1.0 to 15.0 mM of TZ at pH 3.5, but no amyloid fibril were seen at pH 7.4. The possible cause of TZ-induced amyloid fibril formation is electrostatic and hydrophobic interaction because sulfate group of TZ may have interacted electrostatically with positively charged amino acids of the albumins at pH 3.5 and increased protein-protein and protein-TZ interactions leading to amyloid fibril formation. The TEM, RLS and DLS results are suggesting that BSA forms bigger size amyloids compared to HSA, may be due to high surface hydrophobicity of BSA.

Otto Laporte Award Talk - In light of Fluid Mechanics

NASA Astrophysics Data System (ADS)

Gharib, Morteza

2015-11-01

Fluid mechanics, in its inherent non-linear beauty, has been its own laboratory, testing our perseverance and dedication to a branch of science that, despite its perceived maturity, still has many surprises to offer. For many of us, the study of fluid flow has been our path to understanding the complexity of nature. My journey has taken me through many interesting projects including the development of new visualization tools, scrutinizing the rhythms of the human heart, observing flow vortices and studying the dynamics of soap films. But this lecture is mainly devoted to a new example of my research activities where light and flow physics interweave to display another intriguing multi-physics beauty of nature.

Dynamics of the Vacuum and Casimir Analogs to the Hydrogen Atom

NASA Technical Reports Server (NTRS)

White, Harold; Vera, Jerry; Bailey, Paul; March, Paul; Lawrence, Tim; Sylvester, Andre; Brady, David

2015-01-01

This paper will discuss the current viewpoint of the vacuum state and explore the idea of a "natural" vacuum as opposed to immutable, non-degradable vacuum. This concept will be explored for all primary quantum numbers to show consistency with observation at the level of Bohr theory. A comparison with the Casimir force per unit area will be made, and an explicit function for the spatial variation of the vacuum density around the atomic nucleus will be derived. This explicit function will be numerically modeled using the industry multi-physics tool, COMSOL(trademark), and the eigenfrequencies for the n = 1 to n = 7 states will be found and compared to expectation.

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

Nalu is a Sierra ToolKit (STK) based application module, and it has provided a set of "lessons learned" for the STK transition effort through its early adoption of STK. It makes use of the open-sourced Trilinos/ Tpetra library. Through the investment of LORD and ASCR projects, the Nalu code module has been extended beyond prototype status. Physics capability includes low Mach, variable density turbulent flow. The ongoing objective for Nalu is to facilitate partnerships with external organizations in order to extend code capability and knowledge; however, it is not intended to support routine CFD analysis. The targeted usage of thismore » module is for non-NW applications that support work-for-others in the multiphysics energy sector.« less

Ethnomedical survey and safety evaluation of traditional eye medicines used in Misungwi district, Tanzania

PubMed Central

Maregesi, Sheila M.; Messo, Charles W.; Mathias, Juma

2017-01-01

Aim: This study aimed at documenting products used as traditional eye medicine (TEM) in Misungwi district, Tanzania, and performing preliminary analysis on safety status. Methodology: Ethnomedical study was conducted in Misungwi district. Information was sourced by face-to-face interview with traditional healers, traditional medicine vendors, and knowledgeable people guided by a well-structured questionnaire. Safety was evaluated by determining pH using pH meter and mineral analysis using the Delta, Portable X-ray fluorescence equipment, and qualitative chemical tests. Results: A total of 23 TEM products were recorded from botanical (79%) and zoological (21%) sources including animal excreta. Liquid preparation ranked highest among dosage forms. Safety evaluation showed that only one product possessed the pH value of 7.4 as recommended for topical ophthalmic medicines. Fourteen minerals were detected and quantified in three samples; some of these minerals are known for their negative effects to the eyes, of medical interest is strontium used for the management of benign eye tumors. Information providers were unaware of health risks associated with the use of TEM. Conclusion: This study has revealed the common use of TEM in Misungwi district. The majority of the products are from the botanical source. Although literature provides supporting data for the application to some of the recorded TEM, safety evaluation by pH and mineral analysis in this study have indicated possible ophthalmological medical problems that could result from using such products. Extensive scientific studies including animal experiments and identification of bioactive compounds are essential to develop safe TEMs. PMID:28163964

Toward a VPH/Physiome ToolKit.

PubMed

Garny, Alan; Cooper, Jonathan; Hunter, Peter J

2010-01-01

The Physiome Project was officially launched in 1997 and has since brought together teams from around the world to work on the development of a computational framework for the modeling of the human body. At the European level, this effort is focused around patient-specific solutions and is known as the Virtual Physiological Human (VPH) Initiative.Such modeling is both multiscale (in space and time) and multiphysics. This, therefore, requires careful interaction and collaboration between the teams involved in the VPH/Physiome effort, if we are to produce computer models that are not only quantitative, but also integrative and predictive.In that context, several technologies and solutions are already available, developed both by groups involved in the VPH/Physiome effort, and by others. They address areas such as data handling/fusion, markup languages, model repositories, ontologies, tools (for simulation, imaging, data fitting, etc.), as well as grid, middleware, and workflow.Here, we provide an overview of resources that should be considered for inclusion in the VPH/Physiome ToolKit (i.e., the set of tools that addresses the needs and requirements of the Physiome Project and VPH Initiative) and discuss some of the challenges that we are still facing.

Ceftazidime-Resistant Enterobacteriaceae Isolates from Three Polish Hospitals: Identification of Three Novel TEM- and SHV-5-Type Extended-Spectrum β-Lactamases

PubMed Central

Gniadkowski, Marek; Schneider, Ines; Jungwirth, Renate; Hryniewicz, Waleria; Bauernfeind, Adolf

1998-01-01

Twelve ceftazidime-resistant isolates of the family Enterobacteriaceae (11 Klebsiella pneumoniae isolates and 1 Escherichia coli isolate) were collected in 1995 from three Polish hospitals located in different cities. All were identified as producers of extended-spectrum β-lactamases (ESBLs). Detailed analysis of their β-lactamase contents revealed that six of them expressed SHV-5-like ESBLs. The remaining six were found to produce three different TEM enzymes, each characterized by a pI value of 6.0 and specified by new combinations of amino acid substitutions. The amino acid substitutions compared to the TEM-1 β-lactamase sequence were Gly238Ser, Glu240Lys, and Thr265Met for TEM-47; Leu21Phe, Gly238Ser, Glu240Lys, and Thr265Met for TEM-48; and Leu21Phe, Gly238Ser, Glu240Lys, Thr265Met, and Ser268Gly for TEM-49. The new TEM β-lactamases, TEM-47, TEM-48, and TEM-49, belong to a subfamily of TEM-2-related enzymes. Genes coding for TEM-47 and TEM-49 could have originated from the TEM-48-encoding sequence by various single genetic events. The new TEM derivatives probably document the already advanced microevolution of ESBLs ongoing in Polish hospitals, in a majority of which no monitoring of ESBL producers was performed before 1996. PMID:9517925

Bulk Heterojunction Solar Cell with Nitrogen-Doped Carbon Nanotubes in the Active Layer: Effect of Nanocomposite Synthesis Technique on Photovoltaic Properties

PubMed Central

Keru, Godfrey; Ndungu, Patrick G.; Mola, Genene T.; Nyamori, Vincent O.

2015-01-01

Nanocomposites of poly(3-hexylthiophene) (P3HT) and nitrogen-doped carbon nanotubes (N-CNTs) have been synthesized by two methods; specifically, direct solution mixing and in situ polymerization. The nanocomposites were characterized by means of transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray dispersive spectroscopy, UV-Vis spectrophotometry, photoluminescence spectrophotometry (PL), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, thermogravimetric analysis, and dispersive surface energy analysis. The nanocomposites were used in the active layer of a bulk heterojunction organic solar cell with the composition ITO/PEDOT:PSS/P3HT:N-CNTS:PCBM/LiF/Al. TEM and SEM analysis showed that the polymer successfully wrapped the N-CNTs. FTIR results indicated good π-π interaction within the nanocomposite synthesized by in situ polymerization as opposed to samples made by direct solution mixing. Dispersive surface energies of the N-CNTs and nanocomposites supported the fact that polymer covered the N-CNTs well. J-V analysis show that good devices were formed from the two nanocomposites, however, the in situ polymerization nanocomposite showed better photovoltaic characteristics.

Multiphysics superensemble forecast applied to Mediterranean heavy precipitation situations

NASA Astrophysics Data System (ADS)

Vich, M.; Romero, R.

2010-11-01

The high-impact precipitation events that regularly affect the western Mediterranean coastal regions are still difficult to predict with the current prediction systems. Bearing this in mind, this paper focuses on the superensemble technique applied to the precipitation field. Encouraged by the skill shown by a previous multiphysics ensemble prediction system applied to western Mediterranean precipitation events, the superensemble is fed with this ensemble. The training phase of the superensemble contributes to the actual forecast with weights obtained by comparing the past performance of the ensemble members and the corresponding observed states. The non-hydrostatic MM5 mesoscale model is used to run the multiphysics ensemble. Simulations are performed with a 22.5 km resolution domain (Domain 1 in http://mm5forecasts.uib.es) nested in the ECMWF forecast fields. The period between September and December 2001 is used to train the superensemble and a collection of 19~MEDEX cyclones is used to test it. The verification procedure involves testing the superensemble performance and comparing it with that of the poor-man and bias-corrected ensemble mean and the multiphysic EPS control member. The results emphasize the need of a well-behaved training phase to obtain good results with the superensemble technique. A strategy to obtain this improved training phase is already outlined.

Core-shell nanophosphor architecture: toward efficient energy transport in inorganic/organic hybrid solar cells.

PubMed

Li, Qinghua; Yuan, Yongbiao; Chen, Zihan; Jin, Xiao; Wei, Tai-huei; Li, Yue; Qin, Yuancheng; Sun, Weifu

2014-08-13

In this work, a core-shell nanostructure of samarium phosphates encapsulated into a Eu(3+)-doped silica shell has been successfully fabricated, which has been confirmed by X-ray diffraction, transmission electron microscopy (TEM), and high-resolution TEM. Moreover, we report the energy transfer process from the Sm(3+) to emitters Eu(3+) that widens the light absorption range of the hybrid solar cells (HSCs) and the strong enhancement of the electron-transport of TiO2/poly(3-hexylthiophene) (P3HT) bulk heterojunction (BHJ) HSCs by introducing the unique core-shell nanoarchitecture. Furthermore, by applying femtosecond transient absorption spectroscopy, we successfully obtain the electron transport lifetimes of BHJ systems with or without incorporating the core-shell nanophosphors (NPs). Concrete evidence has been provided that the doping of core-shell NPs improves the efficiency of electron transfers from donor to acceptor, but the hole transport almost remains unchanged. In particular, the hot electron transfer lifetime was shortened from 30.2 to 16.7 ps, i.e., more than 44% faster than pure TiO2 acceptor. Consequently, a notable power conversion efficiency of 3.30% for SmPO4@Eu(3+):SiO2 blended TiO2/P3HT HSCs is achieved at 5 wt % as compared to 1.98% of pure TiO2/P3HT HSCs. This work indicates that the core-shell NPs can efficiently broaden the absorption region, facilitate electron-transport of BHJ, and enhance photovoltaic performance of inorganic/organic HSCs.

High-Resolution Characterization of UMo Alloy Microstructure

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

Devaraj, Arun; Kovarik, Libor; Joshi, Vineet V.

2016-11-30

This report highlights the capabilities and procedure for high-resolution characterization of UMo fuels in PNNL. Uranium-molybdenum (UMo) fuel processing steps, from casting to forming final fuel, directly affect the microstructure of the fuel, which in turn dictates the in-reactor performance of the fuel under irradiation. In order to understand the influence of processing on UMo microstructure, microstructure characterization techniques are necessary. Higher-resolution characterization techniques like transmission electron microscopy (TEM) and atom probe tomography (APT) are needed to interrogate the details of the microstructure. The findings from TEM and APT are also directly beneficial for developing predictive multiscale modeling tools thatmore » can predict the microstructure as a function of process parameters. This report provides background on focused-ion-beam–based TEM and APT sample preparation, TEM and APT analysis procedures, and the unique information achievable through such advanced characterization capabilities for UMo fuels, from a fuel fabrication capability viewpoint.« less

Preparation of herpes simplex virus-infected primary neurons for transmission electron microscopy.

PubMed

Miranda-Saksena, Monica; Boadle, Ross; Cunningham, Anthony L

2014-01-01

Transmission electron microscopy (TEM) provides the resolution necessary to identify both viruses and subcellular components of cells infected with many types of viruses, including herpes simplex virus. Recognized as a powerful tool in both diagnostic and research-based virology laboratories, TEM has made possible the identification of new viruses and has contributed to the elucidation of virus life cycle and virus-host cell interaction. Whilst there are many sample preparation techniques for TEM, conventional processing using chemical fixation and resin embedding remains a useful technique, available in virtually all EM laboratories, for studying virus/cell ultrastructure. In this chapter, we describe the preparation of herpes simplex virus-infected primary neurons, grown on plastic cover slips, to allow sectioning of neurons and axons in their growth plane. This technique allows TEM examination of cell bodies, axons, growth cones, and varicosities, providing powerful insights into virus-cell interaction.

A new universal simplified adhesive: 6-month clinical evaluation.

PubMed

Mena-Serrano, Alexandra; Kose, Carlos; De Paula, Eloisa Andrade; Tay, Lidia Yileng; Reis, Alessandra; Loguercio, Alessandro D; Perdigão, Jorge

2013-02-01

Multimode adhesives, which can be used as etch-and-rinse or as self-etch adhesives, have been recently introduced without clinical data to back their use. To evaluate the 6-month clinical performance of Scotchbond Universal Adhesive (SU; 3M ESPE, St. Paul, MN, USA) in noncarious cervical lesions (NCCLs) using two evaluation criteria. Thirty-nine patients participated in this study. Two hundred restorations were assigned to four groups: SU-TEm: etch-and-rinse + moist dentin; SU-TEd: etch-and-rinse + dry dentin; SU-SEet: selective enamel etching; and SU-SE: self-etch. The composite resin Filtek Supreme Ultra (3M ESPE) was placed incrementally. The restorations were evaluated at baseline and after 6 months using both the World Dental Federation (FDI) and the United States Public Health Service (USPHS) criteria. Statistical analyses were performed with Friedman repeated measures analysis of variance by rank and McNemar test for significance in each pair (α = 0.05). Only four restorations (SU-SE: 3 and SU-TEm: 1) were lost after 6 months (p > 0.05 for either criteria). Marginal discoloration occurred in one restoration in the SU-SE group (p > 0.05 for either criteria). Only 2/200 restorations were scored as bravo for marginal adaptation using the USPHS criteria (one for SU-SE and one for SU-SEet, p > 0.05). However, when using the FDI criteria, the percentage of bravo scores for marginal adaptation at 6 months were 32%, 36%, 42%, and 46% for groups SU-TEm, SU-TEd, SU-SEet, and SU-SE, respectively (p > 0.05). The clinical behavior of the multimode adhesive does not depend on the bonding strategy at 6 months. The FDI evaluation criteria are more sensitive than the USPHS criteria. At 6 months, the clinical behavior of the new multimode adhesive Scotchbond Universal was found to be reliable when used in noncarious cervical lesions and may not depend on the bonding strategy employed. © 2012 Wiley Periodicals, Inc.

Transverse Crack Detection in 3D Angle Interlock Glass Fibre Composites Using Acoustic Emission.

PubMed

Gresil, Matthieu; Saleh, Mohamed Nasr; Soutis, Constantinos

2016-08-16

In addition to manufacturing cost and production rates, damage resistance has become a major issue for the composites industry. Three-dimensional (3D) woven composites have superior through-thickness properties compared to two-dimensional (2D) laminates, for example, improved impact damage resistance, high interlaminar fracture toughness and reduced notch sensitivity. The performance of 3D woven preforms is dependent on the fabric architecture, which is determined by the binding pattern. For this study, angle interlock (AI) structures with through-thickness binding were manufactured. The AI cracking simulation shows that the transverse component is the one that leads to transverse matrix cracking in the weft yarn under tensile loading. Monitoring of acoustic emission (AE) during mechanical loading is an effective tool in the study of damage processes in glass fiber-reinforced composites. Tests were performed with piezoelectric sensors bonded on a tensile specimen acting as passive receivers of AE signals. An experimental data has been generated which was useful to validate the multi-physics finite element method (MP-FEM), providing insight into the damage behaviour of novel 3D AI glass fibre composites. MP-FEM and experimental data showed that transverse crack generated a predominant flexural mode A0 and also a less energetic extensional mode S0.

Transverse Crack Detection in 3D Angle Interlock Glass Fibre Composites Using Acoustic Emission

PubMed Central

Gresil, Matthieu; Saleh, Mohamed Nasr; Soutis, Constantinos

2016-01-01

In addition to manufacturing cost and production rates, damage resistance has become a major issue for the composites industry. Three-dimensional (3D) woven composites have superior through-thickness properties compared to two-dimensional (2D) laminates, for example, improved impact damage resistance, high interlaminar fracture toughness and reduced notch sensitivity. The performance of 3D woven preforms is dependent on the fabric architecture, which is determined by the binding pattern. For this study, angle interlock (AI) structures with through-thickness binding were manufactured. The AI cracking simulation shows that the transverse component is the one that leads to transverse matrix cracking in the weft yarn under tensile loading. Monitoring of acoustic emission (AE) during mechanical loading is an effective tool in the study of damage processes in glass fiber-reinforced composites. Tests were performed with piezoelectric sensors bonded on a tensile specimen acting as passive receivers of AE signals. An experimental data has been generated which was useful to validate the multi-physics finite element method (MP-FEM), providing insight into the damage behaviour of novel 3D AI glass fibre composites. MP-FEM and experimental data showed that transverse crack generated a predominant flexural mode A0 and also a less energetic extensional mode S0. PMID:28773821

Modelling fully-coupled Thermo-Hydro-Mechanical (THM) processes in fractured reservoirs using GOLEM: a massively parallel open-source simulator

NASA Astrophysics Data System (ADS)

Jacquey, Antoine; Cacace, Mauro

2017-04-01

Utilization of the underground for energy-related purposes have received increasing attention in the last decades as a source for carbon-free energy and for safe storage solutions. Understanding the key processes controlling fluid and heat flow around geological discontinuities such as faults and fractures as well as their mechanical behaviours is therefore of interest in order to design safe and sustainable reservoir operations. These processes occur in a naturally complex geological setting, comprising natural or engineered discrete heterogeneities as faults and fractures, span a relatively large spectrum of temporal and spatial scales and they interact in a highly non-linear fashion. In this regard, numerical simulators have become necessary in geological studies to model coupled processes and complex geological geometries. In this study, we present a new simulator GOLEM, using multiphysics coupling to characterize geological reservoirs. In particular, special attention is given to discrete geological features such as faults and fractures. GOLEM is based on the Multiphysics Object-Oriented Simulation Environment (MOOSE). The MOOSE framework provides a powerful and flexible platform to solve multiphysics problems implicitly and in a tightly coupled manner on unstructured meshes which is of interest for the considered non-linear context. Governing equations in 3D for fluid flow, heat transfer (conductive and advective), saline transport as well as deformation (elastic and plastic) have been implemented into the GOLEM application. Coupling between rock deformation and fluid and heat flow is considered using theories of poroelasticity and thermoelasticity. Furthermore, considering material properties such as density and viscosity and transport properties such as porosity as dependent on the state variables (based on the International Association for the Properties of Water and Steam models) increase the coupling complexity of the problem. The GOLEM application aims therefore at integrating more physical processes observed in the field or in the laboratory to simulate more realistic scenarios. The use of high-level nonlinear solver technology allow us to tackle these complex multiphysics problems in three dimensions. Basic concepts behing the GOLEM simulator will be presented in this study as well as a few application examples to illustrate its main features.

Investigation of Thermal Stability of P2-NaxCoO2 Cathode Materials for Sodium Ion Batteries Using Real-Time Electron Microscopy.

PubMed

Hwang, Sooyeon; Lee, Yongho; Jo, Eunmi; Chung, Kyung Yoon; Choi, Wonchang; Kim, Seung Min; Chang, Wonyoung

2017-06-07

Here, we take advantage of in situ transmission electron microscopy (TEM) to investigate the thermal stability of P2-type Na x CoO 2 cathode materials for sodium ion batteries, which are promising candidates for next-generation lithium ion batteries. A double-tilt TEM heating holder was used to directly characterize the changes in the morphology and the crystallographic and electronic structures of the materials with increase in temperature. The electron diffraction patterns and the electron energy loss spectra demonstrated the presence of cobalt oxides (Co 3 O 4 , CoO) and even metallic cobalt (Co) at higher temperatures as a result of reduction of Co ions and loss of oxygen. The bright-field TEM images revealed that the surface of Na x CoO 2 becomes porous at high temperatures. Higher cutoff voltages result in degrading thermal stability of Na x CoO 2 . The observations herein provide a valuable insight that thermal stability is one of the important factors to be considered in addition to the electrochemical properties when developing new electrode materials for novel battery systems.

Investigation of Thermal Stability of P2–Na xCoO 2 Cathode Materials for Sodium Ion Batteries Using Real-Time Electron Microscopy

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

Hwang, Sooyeon; Lee, Yongho; Jo, Eunmi

In this paper, we take advantage of in situ transmission electron microscopy (TEM) to investigate the thermal stability of P2-type Na xCoO 2 cathode materials for sodium ion batteries, which are promising candidates for next-generation lithium ion batteries. A double-tilt TEM heating holder was used to directly characterize the changes in the morphology and the crystallographic and electronic structures of the materials with increase in temperature. The electron diffraction patterns and the electron energy loss spectra demonstrated the presence of cobalt oxides (Co 3O 4, CoO) and even metallic cobalt (Co) at higher temperatures as a result of reduction ofmore » Co ions and loss of oxygen. The bright-field TEM images revealed that the surface of Na xCoO 2 becomes porous at high temperatures. Higher cutoff voltages result in degrading thermal stability of Na xCoO 2. Finally, the observations herein provide a valuable insight that thermal stability is one of the important factors to be considered in addition to the electrochemical properties when developing new electrode materials for novel battery systems.« less

Investigation of Thermal Stability of P2–Na xCoO 2 Cathode Materials for Sodium Ion Batteries Using Real-Time Electron Microscopy

DOE PAGES

Hwang, Sooyeon; Lee, Yongho; Jo, Eunmi; ...

2017-05-11

In this paper, we take advantage of in situ transmission electron microscopy (TEM) to investigate the thermal stability of P2-type Na xCoO 2 cathode materials for sodium ion batteries, which are promising candidates for next-generation lithium ion batteries. A double-tilt TEM heating holder was used to directly characterize the changes in the morphology and the crystallographic and electronic structures of the materials with increase in temperature. The electron diffraction patterns and the electron energy loss spectra demonstrated the presence of cobalt oxides (Co 3O 4, CoO) and even metallic cobalt (Co) at higher temperatures as a result of reduction ofmore » Co ions and loss of oxygen. The bright-field TEM images revealed that the surface of Na xCoO 2 becomes porous at high temperatures. Higher cutoff voltages result in degrading thermal stability of Na xCoO 2. Finally, the observations herein provide a valuable insight that thermal stability is one of the important factors to be considered in addition to the electrochemical properties when developing new electrode materials for novel battery systems.« less

Peripheral Blood CD38 Bright CD8+ Effector Memory T Cells Predict Acute Graft-versus-Host Disease.

PubMed

Khandelwal, Pooja; Lane, Adam; Chaturvedi, Vijaya; Owsley, Erika; Davies, Stella M; Marmer, Daniel; Filipovich, Alexandra H; Jordan, Michael B; Marsh, Rebecca A

2015-07-01

Acute graft-versus-host disease (aGVHD) is mediated by allogeneic T cell responses. We hypothesized that increases of peripheral blood-activated CD8+ effector memory T (TEM) cells would be observed after hematopoietic stem cell transplantation (HSCT) before onset of aGVHD symptoms. Blood was collected twice weekly after HSCT for 7 weeks in 49 consecutive pediatric and adult HSCT recipients. Samples were incubated with fluorochrome-conjugated antibodies against CD45, CD3, CD8, CD38, CD45RA, and CCR7 and analyzed using flow cytometry. TEM cells were defined as CD3+ CD8+ CCR7- CD45RA(-) lymphocytes. CD38 expression was used as a marker of T cell activation. Patients were followed for 100 days for development of aGVHD. Twenty-three patients developed grade 1 to 4 aGVHD at a median of 37 days (range, 15 to 79 days) after HCST. Absolute CD38 bright CD8+ TEM of > 35 cells/μL predicted aGVHD at a median of 8 days (range, 1 to 34) before aGVHD onset with a sensitivity of 82.6% and specificity of 91.6%. The cumulative incidence of aGVHD was 90% in patients with absolute CD38 bright CD8+ TEM >35 cells/μL and 15% in patients without (P < .0001). Quantification of CD38 bright CD8+ TEM cells may predict aGVHD in children and young adult HSCT recipients. Copyright © 2015 American Society for Blood and Marrow Transplantation. Published by Elsevier Inc. All rights reserved.

Phosphorus doped graphitic carbon nitride nanosheets as fluorescence probe for the detection of baicalein

NASA Astrophysics Data System (ADS)

Wang, Xuan; Li, Xuebing; Chen, Wenfang; Wang, Rulin; Bian, Wei; Choi, Martin M. F.

2018-06-01

Phosphorus doped graphitic carbon nitride (P-g-C3N4) nanosheets were synthesized by calcination. P-g-C3N4 nanosheets were characterized by XRD, XPS, TEM, fluorescence, ultraviolet-visible absorption and Fourier transform infrared spectroscopy. The fluorescence of the P-g-C3N4 nanosheets was gradually quenched with the increase in the concentration of baicalein at room temperature. The proposed probe was used for the determination of baicalein in the concentration 2.0-30 μM with a detection limit of 53 nM. The quenching mechanism was discussed. The P-g-C3N4 nanosheets have been successfully applied for effective and selective detection of baicalein in human urine samples and blood samples.

Development of a comprehensive performance-testing protocol for competitive surfers.

PubMed

Sheppard, Jeremy M; Nimphius, Sophia; Haff, Greg G; Tran, Tai T; Spiteri, Tania; Brooks, Hedda; Slater, Gary; Newton, Robert U

2013-09-01

Appropriate and valid testing protocols for evaluating the physical performances of surfing athletes are not well refined. The purpose of this project was to develop, refine, and evaluate a testing protocol for use with elite surfers, including measures of anthropometry, strength and power, and endurance. After pilot testing and consultation with athletes, coaches, and sport scientists, a specific suite of tests was developed. Forty-four competitive junior surfers (16.2 ± 1.3 y, 166.3 ± 7.3 cm, 57.9 ± 8.5 kg) participated in this study involving a within-day repeated-measures analysis, using an elite junior group of 22 international competitors (EJG), to establish reliability of the measures. To reflect validity of the testing measures, a comparison of performance results was then undertaken between the EJG and an age-matched competitive junior group of 22 nationally competitive surfers (CJG). Percent typical error of measurement (%TEM) for primary variables gained from the assessments ranged from 1.1% to 3.0%, with intraclass correlation coefficients ranging from .96 to .99. One-way analysis of variance revealed that the EJG had lower skinfolds (P = .005, d = 0.9) than the CJG, despite no difference in stature (P = .102) or body mass (P = .827). The EJG were faster in 15-m sprint-paddle velocity (P < .001, d = 1.3) and had higher lower-body isometric peak force (P = .04, d = 0.7) and superior endurance-paddling velocity (P = .008, d = 0.9). The relatively low %TEM of these tests in this population allows for high sensitivity to detect change. The results of this study suggest that competitively superior junior surfers are leaner and possess superior strength, paddling power, and paddling endurance.

[In vivo study on influence of a discrete nano-hydroxyapatite on leukemia P388 tissue in BALB/C mice].

PubMed

Li, Ge; Huang, Jian-ming; Aoki, Hideki; Li, Yan; Zhang, Rong; Deng, Bi-fang

2007-09-01

To study the influence of a discrete nano-hydroxyapatite crystal (nano-HAp) on lymphatic leukemia P388 behavior by in vivo techniques. A nano-HAp was prepared by a neutralization reaction of 0.1 mol calcium hydroxide suspension and 0.06 mol phosphoric acid solutions at room temperature over pH7. The various doses of the nano-HAp only and the nano-HAp mixture with cyclophosphamide (CY) were injected into mice inoculated with solid tumor lymphatic leukemia P388 and dispersed into PRMI 1640 media harvested the leukemia P388 cells. Sixty P388 BALB/C mice were randomly grouped; 36 of them were used as nano-HAp treated groups and 24 mice as the control groups. The leukemia growth in the mice was examined morphologically, histopathologically and under a transmission electron microscope (TEM). The nano-HAp was identified as a hydroxyapatite by an X-ray diffractometry (XRD) and a Fourier transform infrared spectroscopy (FTIR). The morphology and sizes were observed under a TEM. The tissue growth inhibition ratio (weight%) of solid lymphatic leukemia P388 bearing mice treated with nano-HAp at doses 35 mg/kg, 53 mg/kg and nano-HAp (53 mg/kg) combined with CY (35 mg/kg) in 3 consecutive days via intraperitineal injections were 14.95%, 32.67% and 60.45% respectively. Apoptosis of P388 cell cocultured with nano-HAp was confirmed by TEM. The tissue growth restriction of solid tumor lymphatic leukemia P388 was greater after an injection of nano-HAp only or nano-HAp mixed with CY than that obtained after injection with physiological saline solution as a control (P < 0.01), and the tissue growth restriction of solid tumor after an injection of nano-HAp combined with CY was greater than that obtained after nano-HAp or CY injection only (P < 0.01).

IMPETUS - Interactive MultiPhysics Environment for Unified Simulations.

PubMed

Ha, Vi Q; Lykotrafitis, George

2016-12-08

We introduce IMPETUS - Interactive MultiPhysics Environment for Unified Simulations, an object oriented, easy-to-use, high performance, C++ program for three-dimensional simulations of complex physical systems that can benefit a large variety of research areas, especially in cell mechanics. The program implements cross-communication between locally interacting particles and continuum models residing in the same physical space while a network facilitates long-range particle interactions. Message Passing Interface is used for inter-processor communication for all simulations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Mingus Discontinuous Multiphysics

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

Pat Notz, Dan Turner

Mingus provides hybrid coupled local/non-local mechanics analysis capabilities that extend several traditional methods to applications with inherent discontinuities. Its primary features include adaptations of solid mechanics, fluid dynamics and digital image correlation that naturally accommodate dijointed data or irregular solution fields by assimilating a variety of discretizations (such as control volume finite elements, peridynamics and meshless control point clouds). The goal of this software is to provide an analysis framework form multiphysics engineering problems with an integrated image correlation capability that can be used for experimental validation and model

Integration of OpenMC methods into MAMMOTH and Serpent

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

Kerby, Leslie; DeHart, Mark; Tumulak, Aaron

OpenMC, a Monte Carlo particle transport simulation code focused on neutron criticality calculations, contains several methods we wish to emulate in MAMMOTH and Serpent. First, research coupling OpenMC and the Multiphysics Object-Oriented Simulation Environment (MOOSE) has shown promising results. Second, the utilization of Functional Expansion Tallies (FETs) allows for a more efficient passing of multiphysics data between OpenMC and MOOSE. Both of these capabilities have been preliminarily implemented into Serpent. Results are discussed and future work recommended.

Objective function analysis for electric soundings (VES), transient electromagnetic soundings (TEM) and joint inversion VES/TEM

NASA Astrophysics Data System (ADS)

Bortolozo, Cassiano Antonio; Bokhonok, Oleg; Porsani, Jorge Luís; Monteiro dos Santos, Fernando Acácio; Diogo, Liliana Alcazar; Slob, Evert

2017-11-01

Ambiguities in geophysical inversion results are always present. How these ambiguities appear in most cases open to interpretation. It is interesting to investigate ambiguities with regard to the parameters of the models under study. Residual Function Dispersion Map (RFDM) can be used to differentiate between global ambiguities and local minima in the objective function. We apply RFDM to Vertical Electrical Sounding (VES) and TEM Sounding inversion results. Through topographic analysis of the objective function we evaluate the advantages and limitations of electrical sounding data compared with TEM sounding data, and the benefits of joint inversion in comparison with the individual methods. The RFDM analysis proved to be a very interesting tool for understanding the joint inversion method of VES/TEM. Also the advantage of the applicability of the RFDM analyses in real data is explored in this paper to demonstrate not only how the objective function of real data behaves but the applicability of the RFDM approach in real cases. With the analysis of the results, it is possible to understand how the joint inversion can reduce the ambiguity of the methods.

Jali - Unstructured Mesh Infrastructure for Multi-Physics Applications

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

Garimella, Rao V; Berndt, Markus; Coon, Ethan

2017-04-13

Jali is a parallel unstructured mesh infrastructure library designed for use by multi-physics simulations. It supports 2D and 3D arbitrary polyhedral meshes distributed over hundreds to thousands of nodes. Jali can read write Exodus II meshes along with fields and sets on the mesh and support for other formats is partially implemented or is (https://github.com/MeshToolkit/MSTK), an open source general purpose unstructured mesh infrastructure library from Los Alamos National Laboratory. While it has been made to work with other mesh frameworks such as MOAB and STKmesh in the past, support for maintaining the interface to these frameworks has been suspended formore » now. Jali supports distributed as well as on-node parallelism. Support of on-node parallelism is through direct use of the the mesh in multi-threaded constructs or through the use of "tiles" which are submeshes or sub-partitions of a partition destined for a compute node.« less

A single-phase white light emitting Pr3+ doped Ba2CaWO6 phosphor: synthesis, photoluminescence and optical properties

NASA Astrophysics Data System (ADS)

Sreeja, E.; Vidyadharan, Viji; Jose, Saritha K.; George, Anns; Joseph, Cyriac; Unnikrishnan, N. V.; Biju, P. R.

2018-04-01

Pr3+ doped Ba2CaWO6 phosphor were prepared by traditional high-temperature solid-state reaction technique. The structure evolution was systematically investigated by X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analysis. The X-ray powder diffraction patterns indicate that the prepared phosphors crystallized in the cubic double-perovskite structure. The functional groups were identified using FTIR spectra and the elements present in the composition were confirmed by the EDS profile. The morphology of the phosphor was identified using SEM and TEM analysis. The PL spectra illustrated that these phosphors could be efficiently excited by charge transfer band of host and the maximum luminescence intensity was observed at 0.06 wt% of Pr3+ ion. Upon the charge transfer band excitation, emission spectra showed peaks at 489, 532, 647, 685 and 737 nm corresponding to 3P0→3H4, 3P1→3H5, 3P0→3F2, 3P0→3F3 and 3P0→3F4 transitions respectively. The concentration quenching of Ba2CaWO6:Pr3+ phosphor can be mainly attributed to dipole-dipole interaction. The CIE coordinates were estimated to be close to the white region. The decay curves are well fitted with double exponential decay models. The standard and modified Judd-Ofelt (JO) theories were used to determine the Judd-Ofelt intensity parameters, radiative transition probabilities and branching ratios. The optical properties indicate that Ba2CaWO6:Pr3+ phosphors can produce white light emission from a single phase host and its potential application for solid-state lighting and display devices.

Quality-of-life impairment after endoluminal locoregional resection and laparoscopic total mesorectal excision.

PubMed

Lezoche, Emanuele; Paganini, Alessandro M; Fabiani, Bernardina; Balla, Andrea; Vestri, Annarita; Pescatori, Lorenzo; Scoglio, Daniele; D'Ambrosio, Giancarlo; Lezoche, Giovanni

2014-01-01

For selected patients with rectal cancer, endoluminal locoregional resection (ELRR) by transanal endoscopic microsurgery (TEM) may be an alternative treatment option to laparoscopic total mesorectal excision (LTME). Few data are available on quality of life (QoL) after LTME and TEM. This study aimed to compare short- and medium-term QoL for T1 rectal cancer patients undergoing LTME or ELRR by TEM. This study investigated 35 patients with T1N0 rectal cancer who underwent TEM (n = 17) or LTME (n = 18). Quality of life was evaluated by European Organization for Research and Treatment of Cancer (EORTC) QLQ-C30 and QLQ-C38 questionnaires preoperatively and then 1, 6, and 12 months after surgery. Observation 1 month after LTME showed worsening in all items of both questionnaires. After ELRR, the QLQ-CR38 showed worsening of gastrointestinal (p = 0.005) and defecation problems (p = 0.001), and the QLQ-C30 showed worsening of global health status (p = 0.014), physical functioning (p = 0.02) role functioning (p = 0.003), fatigue (p = 0.002), and pain (p = 0.001). The QLQ-CR38 6 months after LTME showed worsening of body image (p = 0.009), micturition (p = 0.035), and gastrointestinal problems (p = 0.011), and the QLQ-C30 showed worsening of physical functioning (p = 0.003), role functioning (p = 0.002), fatigue (p = 0.004), and nausea/vomiting (p = 0.030). After ELRR, neither the QLQ-CR38 nor the QLQ-C30 questionnaire showed any worsening but demonstrated improvement in global health status and physical functioning. The QLQ-CR38 12 months after LTME showed significant improvement in defecation problems (p = 0.004) and weight loss (p = 0.003), and the QLQ-C30 showed significant improvement in global health status (p = 0.001), nausea and vomiting (p = 0.003), and pain (p = 0.005). After ELRR, the QLQ-C30 showed improvement in emotional functioning (p = 0.012), whereas no significant difference was observed by the QLQ-C38. Functional sequelae are present up to 1 month only after ELRR by TEM and up to 6 months after LTME. At 12 months, neither procedure showed a significant difference in QoL compared with preoperative status.

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

Merzari, E.; Yuan, Haomin; Kraus, A.

The NEAMS program aims to develop an integrated multi-physics simulation capability “pellet-to-plant” for the design and analysis of future generations of nuclear power plants. In particular, the Reactor Product Line code suite's multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. Flow-induced vibration (FIV) is widespread problem in energy systems because they rely on fluid movement for energy conversion. Vibrating structures may be damaged as fatigue or wear occurs. Given the importance of reliable componentsmore » in the nuclear industry, flow-induced vibration has long been a major concern in safety and operation of nuclear reactors. In particular, nuclear fuel rods and steam generators have been known to suffer from flow-induced vibration and related failures. Advanced reactors, such as integral Pressurized Water Reactors (PWRs) considered for Small Modular Reactors (SMR), often rely on innovative component designs to meet cost and safety targets. One component that is the subject of advanced designs is the steam generator, some designs of which forego the usual shell-and-tube architecture in order to fit within the primary vessel. In addition to being more cost- and space-efficient, such steam generators need to be more reliable, since failure of the primary vessel represents a potential loss of coolant and a safety concern. A significant amount of data exists on flow-induced vibration in shell-and-tube heat exchangers, and heuristic methods are available to predict their occurrence based on a set of given assumptions. In contrast, advanced designs have far less data available. Advanced modeling and simulation based on coupled structural and fluid simulations have the potential to predict flow-induced vibration in a variety of designs, reducing the need for expensive experimental programs, especially at the design stage. Over the past five years, the Reactor Product Line has developed the integrated multi-physics code suite SHARP. The goal of developing such a tool is to perform multi-physics neutronics, thermal/fluid, and structural mechanics modeling of the components inside the full reactor core or portions of it with a user-specified fidelity. In particular SHARP contains high-fidelity single-physics codes Diablo for structural mechanics and Nek5000 for fluid mechanics calculations. Both codes are state-of-the-art, highly scalable tools that have been extensively validated. These tools form a strong basis on which to build a flow-induced vibration modeling capability. In this report we discuss one-way coupled calculations performed with Nek5000 and Diablo aimed at simulating available FIV experiments in helical steam generators in the turbulent buffeting regime. In this regime one-way coupling is judged sufficient because the pressure loads do not cause substantial displacements. It is also the most common source of vibration in helical steam generators at the low flows expected in integral PWRs. The legacy data is obtained from two datasets developed at Argonne and B&W.« less

The Shock and Vibration Digest. Volume 15, Number 8

DTIC Science & Technology

1983-08-01

a number of cracks have occurred in rotor shafts of turbogenerator sys - tems. Methods for detecting such cracks have thus become important, and...Bearing-Foundation Sys - tems Caused by Electrical System Faults," IFTOMM, p 177. 95. Ming, H., Sgroi, V., and Malanoski, S.B., "Fan/ Foundation...vibra- tion fundamentals, deterministic and random signals, convolution integrals, wave motion, continuous sys - tems, sound propagation outdoors

Enhanced pulsed magneto-motive ultrasound imaging using superparamagnetic nanoclusters

PubMed Central

Mehrmohammadi, M; Yoon, KY; Qu, M; Johnston, KP; Emelianov, SY

2011-01-01

Recently, pulsed magneto-motive ultrasound (pMMUS) imaging augmented with ultra-small magnetic nanoparticles has been introduced as a tool capable of imaging events at molecular and cellular levels. The sensitivity of a pMMUS system depends on several parameters, including the size, geometry and magnetic properties of the nanoparticles. Under the same magnetic field, larger magnetic nanostructures experience a stronger magnetic force and produce larger displacement, thus improving the sensitivity and signal-to-noise ratio (SNR) of pMMUS imaging. Unfortunately, large magnetic iron-oxide nanoparticles are typically ferromagnetic and thus are very difficult to stabilize against colloidal aggregation. In the current study we demonstrate improvement of pMMUS image quality by using large size superparamagnetic nanoclusters characterized by strong magnetization per particle. Water-soluble magnetic nanoclusters of two sizes (15 and 55 nm average size) were synthesized from 3 nm iron precursors in the presence of citrate capping ligand. The size distribution of synthesized nanoclusters and individual nanoparticles was characterized using dynamic light scattering (DLS) analysis and transmission electron microscopy (TEM). Tissue mimicking phantoms containing single nanoparticles and two sizes of nanoclusters were imaged using a custom-built pMMUS imaging system. While the magnetic properties of citrate-coated nanoclusters are identical to those of superparamagnetic nanoparticles, the magneto-motive signal detected from nanoclusters is larger, i.e. the same magnetic field produced larger magnetically induced displacement. Therefore, our study demonstrates that clusters of superparamagnetic nanoparticles result in pMMUS images with higher contrast and SNR. PMID:21157009

Focused Ion Beam (FIB) combined with SEM (FIB/SEM) and TEM: Advanced tools for nano-analysis in Geosciences

NASA Astrophysics Data System (ADS)

Wirth, R.; Morales, L. G.

2011-12-01

Focused ion beam (FIB) techniques have been successfully applied to the preparation of site-specific electron transparent membranes for transmission electron microscopy (TEM) investigations in Geosciences since several years. For example, systematic TEM studies of nano-inclusions in diamond foils prepared with FIB have improved our knowledge on diamond formation. However, FIB is not exclusively used for sample preparation for TEM application because it has been proved that one and the same TEM foil can also be used for Synchrotron IR, Synchrotron X-Ray fluorescence (XRF), scanning transmission X-Ray microscopy (STXM) and NanoSIMS analysis. In addition, FIB milling turned out to be very useful for sample preparation of Brillouin scattering experiments and has a strong potential for preparation of highly-polished, micrometer-scale samples. However, a real break through in FIB application was achieved combining a Ga-ion source of the FIB with an electron source of a scanning electron microscope (SEM) in one single instrument. The combination of FIB/SEM renders access to the third dimension of the sample possible. A cavity normal to the sample surface is sputtered with Ga-ions and this newly created inner surface is imaged with the electron beam. Alternating slicing and viewing along these cavities allow the acquisition of a sequence of images that allows the observation in 3 dimensions. Recently, this technique has been successfully applied to image the structure of grain or phase boundaries in metamorphic rocks as well as micro- and nanoporosity in shales, but its applicability goes far beyond these few examples. Combining slicing and viewing with X-Ray and electron backscatter diffraction (EBSD) analysis can provide 3D elemental mapping and 3D crystallographic orientation mapping of crystalline materials. Combined FIB/SEM devices also facilitate the preparation of substantially thinner and cleaner TEM foils (approximately 30 nm) because electron beam imaging controls the progress of the sputtering process without sputtering the sample during imaging. Electron induce sputtering is substantially smaller than ion induced sputtering. Finally, the amorphous layers created by Ga-ion sputtering and Ga-ion implantation can be removed from the foil surfaces by subsequent argon ion bombardment under a low angle of incidence and low acceleration voltage thus permitting TEM high-resolution imaging and electron energy-loss spectroscopy (EELS). Additionally, ultra-thin foils have the advantage that they are electron transparent even at 30 keV, the common operational voltage of a SEM. Therefore the electron column of the FIB/SEM system can be used as a TEM at low voltage and images can be made either in bright-field, dark field and through a high-angle annular dark field (HAADF) detector. The HAADF detector provides information about the chemical composition of the specimen with high spatial resolution because it is Z-contrast sensitive.

A capacitive CMOS-MEMS sensor designed by multi-physics simulation for integrated CMOS-MEMS technology

NASA Astrophysics Data System (ADS)

Konishi, Toshifumi; Yamane, Daisuke; Matsushima, Takaaki; Masu, Kazuya; Machida, Katsuyuki; Toshiyoshi, Hiroshi

2014-01-01

This paper reports the design and evaluation results of a capacitive CMOS-MEMS sensor that consists of the proposed sensor circuit and a capacitive MEMS device implemented on the circuit. To design a capacitive CMOS-MEMS sensor, a multi-physics simulation of the electromechanical behavior of both the MEMS structure and the sensing LSI was carried out simultaneously. In order to verify the validity of the design, we applied the capacitive CMOS-MEMS sensor to a MEMS accelerometer implemented by the post-CMOS process onto a 0.35-µm CMOS circuit. The experimental results of the CMOS-MEMS accelerometer exhibited good agreement with the simulation results within the input acceleration range between 0.5 and 6 G (1 G = 9.8 m/s2), corresponding to the output voltages between 908.6 and 915.4 mV, respectively. Therefore, we have confirmed that our capacitive CMOS-MEMS sensor and the multi-physics simulation will be beneficial method to realize integrated CMOS-MEMS technology.

Multiphysics Thermal-Fluid Design Analysis of a Non-Nuclear Tester for Hot-Hydrogen Materials and Component Development

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Foote, John; Litchford, Ron

2006-01-01

The objective of this effort is to perform design analyses for a non-nuclear hot-hydrogen materials tester, as a first step towards developing efficient and accurate multiphysics, thermo-fluid computational methodology to predict environments for hypothetical solid-core, nuclear thermal engine thrust chamber design and analysis. The computational methodology is based on a multidimensional, finite-volume, turbulent, chemically reacting, thermally radiating, unstructured-grid, and pressure-based formulation. The multiphysics invoked in this study include hydrogen dissociation kinetics and thermodynamics, turbulent flow, convective, and thermal radiative heat transfers. The goals of the design analyses are to maintain maximum hot-hydrogen jet impingement energy and to minimize chamber wall heating. The results of analyses on three test fixture configurations and the rationale for final selection are presented. The interrogation of physics revealed that reactions of hydrogen dissociation and recombination are highly correlated with local temperature and are necessary for accurate prediction of the hot-hydrogen jet temperature.

A novel phenomenological multi-physics model of Li-ion battery cells

NASA Astrophysics Data System (ADS)

Oh, Ki-Yong; Samad, Nassim A.; Kim, Youngki; Siegel, Jason B.; Stefanopoulou, Anna G.; Epureanu, Bogdan I.

2016-09-01

A novel phenomenological multi-physics model of Lithium-ion battery cells is developed for control and state estimation purposes. The model can capture electrical, thermal, and mechanical behaviors of battery cells under constrained conditions, e.g., battery pack conditions. Specifically, the proposed model predicts the core and surface temperatures and reaction force induced from the volume change of battery cells because of electrochemically- and thermally-induced swelling. Moreover, the model incorporates the influences of changes in preload and ambient temperature on the force considering severe environmental conditions electrified vehicles face. Intensive experimental validation demonstrates that the proposed multi-physics model accurately predicts the surface temperature and reaction force for a wide operational range of preload and ambient temperature. This high fidelity model can be useful for more accurate and robust state of charge estimation considering the complex dynamic behaviors of the battery cell. Furthermore, the inherent simplicity of the mechanical measurements offers distinct advantages to improve the existing power and thermal management strategies for battery management.

Multiphysics elastodynamic finite element analysis of space debris deorbit stability and efficiency by electrodynamic tethers

NASA Astrophysics Data System (ADS)

Li, Gangqiang; Zhu, Zheng H.; Ruel, Stephane; Meguid, S. A.

2017-08-01

This paper developed a new multiphysics finite element method for the elastodynamic analysis of space debris deorbit by a bare flexible electrodynamic tether. Orbital motion limited theory and dynamics of flexible electrodynamic tethers are discretized by the finite element method, where the motional electric field is variant along the tether and coupled with tether deflection and motion. Accordingly, the electrical current and potential bias profiles of tether are solved together with the tether dynamics by the nodal position finite element method. The newly proposed multiphysics finite element method is applied to analyze the deorbit dynamics of space debris by electrodynamic tethers with a two-stage energy control strategy to ensure an efficient and stable deorbit process. Numerical simulations are conducted to study the coupled effect between the motional electric field and the tether dynamics. The results reveal that the coupling effect has a significant influence on the tether stability and the deorbit performance. It cannot be ignored when the libration and deflection of the tether are significant.

Transient multi-physics analysis of a magnetorheological shock absorber with the inverse Jiles-Atherton hysteresis model

NASA Astrophysics Data System (ADS)

Zheng, Jiajia; Li, Yancheng; Li, Zhaochun; Wang, Jiong

2015-10-01

This paper presents multi-physics modeling of an MR absorber considering the magnetic hysteresis to capture the nonlinear relationship between the applied current and the generated force under impact loading. The magnetic field, temperature field, and fluid dynamics are represented by the Maxwell equations, conjugate heat transfer equations, and Navier-Stokes equations. These fields are coupled through the apparent viscosity and the magnetic force, both of which in turn depend on the magnetic flux density and the temperature. Based on a parametric study, an inverse Jiles-Atherton hysteresis model is used and implemented for the magnetic field simulation. The temperature rise of the MR fluid in the annular gap caused by core loss (i.e. eddy current loss and hysteresis loss) and fluid motion is computed to investigate the current-force behavior. A group of impulsive tests was performed for the manufactured MR absorber with step exciting currents. The numerical and experimental results showed good agreement, which validates the effectiveness of the proposed multi-physics FEA model.

TEM Derivative-Producing Enterobacter aerogenes Strains: Dissemination of a Prevalent Clone

PubMed Central

Dumarche, P.; De Champs, C.; Sirot, D.; Chanal, C.; Bonnet, R.; Sirot, J.

2002-01-01

TEM-24 (CAZ-6) extended-spectrum β-lactamase (ESBL) was detected in 1988 in Clermont-Ferrand, France, in Klebsiella pneumoniae (blaTEM-24) and Enterobacter aerogenes (blaTEM-24b), and since 1994, a TEM-24-producing E. aerogenes clonal strain has been observed elsewhere in the country. To determine if the spread of this clonal strain was restricted to TEM-24-producing E. aerogenes strains, 84 E. aerogenes strains (non-TEM/SHV-producing strains, TEM-1- or -2-producing strains, and different ESBL-producing strains), isolated from 1988 to 1999 in Clermont-Ferrand (n = 59) and in 11 other French hospitals in 1998 (n = 25), were studied. A clonal strain was found for TEM-24- but also for TEM-3- and TEM-1- or 2-producing isolates. This study shows that there is a clonal strain dependent on acquisition of the TEM-type enzyme (TEM-24 and other TEM types). PMID:11897606

High Precision Thermal, Structural and Optical Analysis of an External Occulter Using a Common Model and the General Purpose Multi-Physics Analysis Tool Cielo

NASA Technical Reports Server (NTRS)

Hoff, Claus; Cady, Eric; Chainyk, Mike; Kissil, Andrew; Levine, Marie; Moore, Greg

2011-01-01

The efficient simulation of multidisciplinary thermo-opto-mechanical effects in precision deployable systems has for years been limited by numerical toolsets that do not necessarily share the same finite element basis, level of mesh discretization, data formats, or compute platforms. Cielo, a general purpose integrated modeling tool funded by the Jet Propulsion Laboratory and the Exoplanet Exploration Program, addresses shortcomings in the current state of the art via features that enable the use of a single, common model for thermal, structural and optical aberration analysis, producing results of greater accuracy, without the need for results interpolation or mapping. This paper will highlight some of these advances, and will demonstrate them within the context of detailed external occulter analyses, focusing on in-plane deformations of the petal edges for both steady-state and transient conditions, with subsequent optical performance metrics including intensity distributions at the pupil and image plane.

Luminescent nanocomposites of conducting polymers and in-situ grown CdS quantum dots

NASA Astrophysics Data System (ADS)

Borriello, C.; Masala, S.; Bizzarro, V.; Nenna, G.; Re, M.; Pesce, E.; Minarini, C.; Di Luccio, T.

2010-06-01

Luminescent PVK:CdS and P3HT:CdS nanocomposites with enhanced electrooptical properties have been synthesized. The nucleation and growth of CdS nanoparticles have been obtained by the thermolysis of a single Cd and S precursor dispersed in the polymers. The size distribution and morphology of the nanoparticles have been studied by TEM analyses. Monodispersive and very small nanoparticles of diameter below 3 nm in PVK and 2 nm in P3HT, have been obtained. The application of such nanocomposites as emitting layers in OLED devices is discussed.

Luminescent nanocomposites of conducting polymers and in-situ grown CdS quantum dots

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

Borriello, C.; Masala, S.; Nenna, G.

2010-06-02

Luminescent PVK:CdS and P3HT:CdS nanocomposites with enhanced electrooptical properties have been synthesized. The nucleation and growth of CdS nanoparticles have been obtained by the thermolysis of a single Cd and S precursor dispersed in the polymers. The size distribution and morphology of the nanoparticles have been studied by TEM analyses. Monodispersive and very small nanoparticles of diameter below 3 nm in PVK and 2 nm in P3HT, have been obtained. The application of such nanocomposites as emitting layers in OLED devices is discussed.

Single-Prolonged-Stress-Induced Changes in Autophagy-Related Proteins Beclin-1, LC3, and p62 in the Medial Prefrontal Cortex of Rats with Post-traumatic Stress Disorder.

PubMed

Zheng, Shilei; Han, Fang; Shi, Yuxiu; Wen, Lili; Han, Dan

2017-05-01

Autophagy, or type II programmed cell death, plays a crucial role in many nervous system diseases. However, few studies have examined the role of autophagy in post-traumatic stress disorder (PTSD), and the mechanisms underlying PTSD are poorly understood. The objective of this research was to explore the expression of three important autophagy-related proteins, Beclin-1, microtubule-associated protein 1 light chain 3 (LC3), and p62/SQSTM1 (p62), in the medial prefrontal cortex (mPFC) of an animal model of PTSD to identify changes in autophagic activity during PTSD pathogenesis. PTSD was induced in rats by exposure to a single-prolonged stress (SPS). The Morris water maze was used to assess cognitive changes in rats from the SPS and control groups. Transmission electron microscopy (TEM) was employed to observe mPFC morphological changes. Immunohistochemistry, immunofluorescence, and Western blotting techniques were used to detect expression of Beclin-1, LC3, and p62 in the mPFC. The Morris water maze test results showed that the escape latency time was increased and that the percent time in the target quadrant was decreased in the SPS group compared with that in the control group. Numerous visible autolysosomes in mPFC neurons were observed using TEM after SPS stimulation. Compared with that in the control group, the expression of Beclin-1 and the LC3-II/I ratio significantly decreased at 1 day, then increased and peaked at 7 days, and slightly decreased at 14 days after SPS stimulation, whereas the converse was found for p62 expression. In conclusion, dysregulation of autophagic activity in the mPFC may play a crucial role in PTSD pathogenesis.

Inhibitory effects of 3-bromopyruvate on human gastric cancer implant tumors in nude mice.

PubMed

Xian, Shu-Lin; Cao, Wei; Zhang, Xiao-Dong; Lu, Yun-Fei

2014-01-01

Gastric cancer is a common malignant tumor. Our previous study demonstrated inhibitory effects of 3-bromopyruvate (3-BrPA) on pleural mesothelioma. Moreover, we found that 3-BrPA could inhibit human gastric cancer cell line SGC-7901 proliferation in vitro, but whether similar effects might be exerted in vivo have remained unclear. To investigate the effect of 3-BrPA to human gastric cancer implant tumors in nude mice. Animals were randomly divided into 6 groups: 3-BrPA low, medium and high dose groups, PBS negative control group 1 (PH7.4), control group 2 (PH 6.8-7.8) and positive control group receiving 5-FU. The TUNEL method was used to detect apoptosis, and cell morphology and structural changes of tumor tissue were observed under transmission electron microscopy (TEM). 3-BrPA low, medium, high dose group, and 5-FU group, the tumor volume inhibition rates were 34.5%, 40.2%, 45.1%, 47.3%, tumor volume of experimental group compared with 2 PBS groups (p<0.05), with no significant difference between the high dose and 5-FU groups (p>0.05). TEM showed typical characteristics of apoptosis. TUNEL demonstrated apoptosis indices of 28.7%, 39.7%, 48.7% for the 3-BrPA low, medium, high dose groups, 42.2% for the 5-FU group and 5% and 4.3% for the PBS1 (PH7.4) and PBS2 (PH6.8-7.8) groups. Compared each experimental group with 2 negative control groups, there was significant difference (p<0.05); there was no significant difference between 5-FU group and medium dose group (p>0.05), but there was between the 5-FU and high dose groups (p<0.05). This study indicated that 3-BrPA in vivo has strong inhibitory effects on human gastric cancer implant tumors in nude mice .

A new peer instruction method for teaching practical skills in the health sciences: an evaluation of the 'Learning Trail'.

PubMed

Dollman, James

2005-01-01

The 'Learning Trail' is an innovative application of peer-mediated instruction designed to enhance student learning in large practical classes. The strategy specifically seeks to improve participants' attention to details of protocol that are often difficult to observe during teacher-centered demonstrations to large groups. Students (n=68) at the University of South Australia trialed this strategy, in which instruction in anthropometric techniques is initiated by an instructor to a group of 3-4 students and then sent in 'waves' from one student group to the next. The final group in the sequence demonstrates the techniques to the instructor, who notes any departures from technical accuracy. As each technical module is flowing from group to group, the instructor initiates the next 'wave' with the first group, and the process is repeated until all of the relevant skills are processed. The final stage is a full class discussion during which sources of technical error are identified and resolved. In this trial, students taught skinfold measurement by the peer instructed method (PI; n=33) were compared with a traditionally instructed group (TI; n=35), in which the instructor was responsible for all information transfer. For each participant, technical errors of measurement (TEM) were calculated; the intra-tester TEM as a measure of reliability, and the inter-tester TEM, in which the student's measures are compared with those of a criterion anthropometrist to give an indication of validity. There were no differences between TI and PI groups on intra-tester TEM (p=0.24), but the PI group had a lower inter-tester TEM for pooled skinfold sites (p=0.006) and for one individual site (triceps; p=0.007), but not the other three sites. The time taken to complete the whole set of instructions did not differ between delivery modes. The results of this trial suggest that the peer-mediated strategy may be more effective than teacher-centered instruction in terms of technical accuracy in anthropometry.

Nonlinear Upshift of Trapped Electron Mode Critical Density Gradient: Simulation and Experiment

NASA Astrophysics Data System (ADS)

Ernst, D. R.

2012-10-01

A new nonlinear critical density gradient for pure trapped electron mode (TEM) turbulence increases strongly with collisionality, saturating at several times the linear threshold. The nonlinear TEM threshold appears to limit the density gradient in new experiments subjecting Alcator C-Mod internal transport barriers to modulated radio-frequency heating. Gyrokinetic simulations show the nonlinear upshift of the TEM critical density gradient is associated with long-lived zonal flow dominated states [1]. This introduces a strong temperature dependence that allows external RF heating to control TEM turbulent transport. During pulsed on-axis heating of ITB discharges, core electron temperature modulations of 50% were produced. Bursts of line-integrated density fluctuations, observed on phase contrast imaging, closely follow modulations of core electron temperature inside the ITB foot. Multiple edge fluctuation measurements show the edge response to modulated heating is out of phase with the core response. A new limit cycle stability diagram shows the density gradient appears to be clamped during on-axis heating by the nonlinear TEM critical density gradient, rather than by the much lower linear threshold. Fluctuation wavelength spectra will be quantitatively compared with nonlinear TRINITY/GS2 gyrokinetic transport simulations, using an improved synthetic diagnostic. In related work, we are implementing the first gyrokinetic exact linearized Fokker Planck collision operator [2]. Initial results show short wavelength TEMs are fully stabilized by finite-gyroradius collisional effects for realistic collisionalities. The nonlinear TEM threshold and its collisionality dependence may impact predictions of density peaking based on quasilinear theory, which excludes zonal flows.[4pt] In collaboration with M. Churchill, A. Dominguez, C. L. Fiore, Y. Podpaly, M. L. Reinke, J. Rice, J. L. Terry, N. Tsujii, M. A. Barnes, I. Bespamyatnov, R. Granetz, M. Greenwald, A. Hubbard, J. W. Hughes, M. Landreman, B. Li, Y. Ma, P. Phillips, M. Porkolab, W. Rowan, S. Wolfe, and S. Wukitch.[4pt] [1] D. R. Ernst et al., Proc. 21st IAEA Fusion Energy Conference, Chengdu, China, paper IAEA-CN-149/TH/1-3 (2006). http://www-pub.iaea.org/MTCD/Meetings/FEC200/th1-3.pdf[0pt] [2] B. Li and D.R. Ernst, Phys. Rev. Lett. 106, 195002 (2011).

Transmission electron microscopy of polymer blends and block copolymers

NASA Astrophysics Data System (ADS)

Gomez, Enrique Daniel

Transmission electron microscopy (TEM) of soft matter is a field that warrants further investigation. Developments in sample preparation, imaging and spectroscopic techniques could lead to novel experiments that may further our understanding of the structure and the role structure plays in the functionality of various organic materials. Unlike most hard materials, TEM of organic molecules is limited by the amount of radiation damage the material can withstand without changing its structure. Despite this limitation, TEM has been and will be a powerful tool to study polymeric materials and other soft matter. In this dissertation, an introduction of TEM for polymer scientists is presented. The fundamentals of interactions of electrons with matter are described using the Schrodinger wave equation and scattering cross-sections to fully encompass coherent and incoherent scattering. The intensity, which is the product of the wave function and its complex conjugate, shows no perceptible change due to the sample. Instead, contrast is generated through the optical system of the microscope by removing scattered electrons or by generating interference due to material-induced phase changes. Perhaps the most challenging aspect of taking TEM images, however, is sample preparation, because TEM experiments require materials with approximately 50 nm thickness. Although ultramicrotomy is a well-established powerful tool for preparing biological and polymeric sections for TEM, the development of cryogenic Focused Ion Beam may enable unprecedented cross-sectional TEM studies of polymer thin films on arbitrary substrates with nanometer precision. Two examples of TEM experiments of polymeric materials are presented. The first involves quantifying the composition profile across a lamellar phase obtained in a multicomponent blend of saturated poly(butadiene) and poly(isobutylene), stabilized by a saturated poly(butadiene) copolymer serving as a surfactant, using TEM and self-consistent field theory (SCFT). The liquid-like nature of this system at room temperature makes traditional staining methods for the enhancement of contrast ineffective. As an alternative, we take advantage of the large inelastic scattering cross-section of soft materials to generate contrast in zero-loss TEM images. Independent spatially resolved thickness measurements enable quantification of electron scattering. This enabled a comparison between the TEM data and predictions based on SCFT without any adjustable parameters. The second example involves the utilization of energy-filtered transmission electron microscopy (EFTEM) to compute elemental maps by taking advantage of ionization events. Elemental mapping of lithium is used to determine the distribution of salt in nanostructured poly(styrene-block-ethylene oxide) (SEO) copolymer/lithium salt electrolytes. Surprisingly, the concentration of lithium within a poly(ethylene oxide) (PEO) domain is found to be inhomogeneous; the salt is localized to the middle of the channels. Self-consistent field theory simulations suggest that localization of lithium is due to chain stretching at the interface, which increases with molecular weight. EFTEM and SCFT results show that the segregation of lithium salt to the middle of the PEO lamellae is greater for higher molecular weight polymers. This is correlated with the ionic conductivity of the copolymer electrolyte, which is found to show a higher conductivity for thinner lithium lamellae.

Back-gated Nb-doped MoS2 junctionless field-effect-transistors

NASA Astrophysics Data System (ADS)

Mirabelli, Gioele; Schmidt, Michael; Sheehan, Brendan; Cherkaoui, Karim; Monaghan, Scott; Povey, Ian; McCarthy, Melissa; Bell, Alan P.; Nagle, Roger; Crupi, Felice; Hurley, Paul K.; Duffy, Ray

2016-02-01

Electrical measurements were carried out to measure the performance and evaluate the characteristics of MoS2 flakes doped with Niobium (Nb). The flakes were obtained by mechanical exfoliation and transferred onto 85 nm thick SiO2 oxide and a highly doped Si handle wafer. Ti/Au (5/45 nm) deposited on top of the flake allowed the realization of a back-gate structure, which was analyzed structurally through Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). To best of our knowledge this is the first cross-sectional TEM study of exfoliated Nb-doped MoS2 flakes. In fact to date TEM of transition-metal-dichalcogenide flakes is extremely rare in the literature, considering the recent body of work. The devices were then electrically characterized by temperature dependent Ids versus Vds and Ids versus Vbg curves. The temperature dependency of the device shows a semiconductor behavior and, the doping effect by Nb atoms introduces acceptors in the structure, with a p-type concentration 4.3 × 1019 cm-3 measured by Hall effect. The p-type doping is confirmed by all the electrical measurements, making the structure a junctionless transistor. In addition, other parameters regarding the contact resistance between the top metal and MoS2 are extracted thanks to a simple Transfer Length Method (TLM) structure, showing a promising contact resistivity of 1.05 × 10-7 Ω/cm2 and a sheet resistance of 2.36 × 102 Ω/sq.

FY17Q4 Ristra project: Release Version 1.0 of a production toolkit

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

Hungerford, Aimee L.; Daniel, David John

2017-09-21

The Next Generation Code project will release Version 1.0 of a production toolkit for multi-physics application development on advanced architectures. Features of this toolkit will include remap and link utilities, control and state manager, setup, visualization and I/O, as well as support for a variety of mesh and particle data representations. Numerical physics packages that operate atop this foundational toolkit will be employed in a multi-physics demonstration problem and released to the community along with results from the demonstration.

Advanced graphical user interface for multi-physics simulations using AMST

NASA Astrophysics Data System (ADS)

Hoffmann, Florian; Vogel, Frank

2017-07-01

Numerical modelling of particulate matter has gained much popularity in recent decades. Advanced Multi-physics Simulation Technology (AMST) is a state-of-the-art three dimensional numerical modelling technique combining the eX-tended Discrete Element Method (XDEM) with Computational Fluid Dynamics (CFD) and Finite Element Analysis (FEA) [1]. One major limitation of this code is the lack of a graphical user interface (GUI) meaning that all pre-processing has to be made directly in a HDF5-file. This contribution presents the first graphical pre-processor developed for AMST.

Facile fabrication of BiOI decorated NaNbO3 cubes: A p-n junction photocatalyst with improved visible-light activity

NASA Astrophysics Data System (ADS)

Sun, Meng; Yan, Qing; Shao, Yu; Wang, Changqian; Yan, Tao; Ji, Pengge; Du, Bin

2017-09-01

To enhance the separation efficiency of photo-generated carriers, a p-n junction photocatalyst BiOI/NaNbO3 has been fabricated by a facile method. The obtained samples were characterized by XRD, SEM, TEM, HRTEM, PL, N2 sorption-desorption and DRS. DRS results showed that the light absorption edges of BiOI/NaNbO3 hybrids were red-shifted with the increase of BiOI content. The SEM and TEM images revealed that the BiOI was widely decorated over the surfaces of NaNbO3 cubes. The formation of p-n heterojunction at their interfaces was proved by the HRTEM image. The visible light-driven photocatalytic activity was evaluated by the degradation of methylene blue (MB) in aqueous solution. Compared with single NaNbO3 and BiOI, the BiOI/NaNbO3 hybrid photocatalysts have exhibited significantly enhanced activities. Meanwhile, the mass ratio of BiOI/NaNbO3 displayed important influence on the MB degradation. The hybrid photocatalyst with BiOI content of 40% performed the optimal activity. This activity enhancement should be attributed to the strong visible light absorption, the high migration and separation efficiency of photo-induced carriers. The photocurrent and PL measurements confirmed that the interfacial charge separation efficiency was greatly improved by coupling BiOI with NaNbO3. Controlled experiments proved that the degradation of pollutants was mainly attributed to the oxidizing ability of the generated holes (h+), ·O2-, and ·OH radicals.

Supramolecular Nanocomposites Under Confinement: Chiral Optically Active Nanoparticle Assemblies and Beyond

NASA Astrophysics Data System (ADS)

Bai, Peter; Yang, Sui; Bao, Wei; Salmeron, Miquel; Zhang, Xiang; Xu, Ting

2015-03-01

Block copolymer-based supramolecules provide a versatile platform to direct the self-assembly of nanoparticles (NPs) into precisely controlled nanostructures in bulk and thin film geometries. A supramolecule, PS-b-P4VP(PDP), composed of the small molecule 3-pentadecylphenol (PDP) hydrogen bonded to a diblock copolymer, polystyrene-block-poly(4-vinylpyridine) (PS-b-P4VP), was subjected to 2-D volume confinement in cylindrical anodic aluminum oxide (AAO) membrane pores. TEM and 3-D TEM tomography reveal that the morphologies accessible by the supramolecule and supramolecule/NP composites, such as NP clusters, arrays, stacked rings, and single and double helical ribbons, are significantly different from those in the bulk or thin film. Furthermore, single molecule dark field scattering measurements demonstrate strong chiral optical response of single helical Au NP ribbon nanostructures in the near infrared wavelength regime. These studies demonstrate 2-D confinement to be an effective means to tailor self-assembled NP structure within supramolecule nanocomposites and pave the way for this assembly approach to be applied towards next generation chiral metamaterials and optoelectronic devices.

Controllable synthesis of Ln3+ (Ln = Tb, Eu) doped zinc phosphate nano-/micro-structured materials: phase, morphology and luminescence properties

NASA Astrophysics Data System (ADS)

Yue, Dan; Lu, Wei; Li, Chunyang; Zhang, Xinlei; Liu, Chunxia; Wang, Zhenling

2014-01-01

Ln3+ (Ln = Tb, Eu) doped zinc phosphate tetrahydrate (ZPT:Ln3+) and ammonium zinc phosphate (AZP:Ln3+) nano-/micro-structured materials were synthesized in aqueous solution without the addition of any structure-directing agent. The phase structures, morphologies and luminescence properties of the as-synthesized samples were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM), photoluminescence (PL) spectroscopy and lifetime. These investigations indicate that different phosphate sources MnH(3-n)PO4 (M = NH4+ or Na+, n = 1, 2, 3) can lead to the altering of morphology from nanosheet to microflower, but have no significant effect on the phase structure of the samples. The microlump, nanosheet, and microflower (constructed by the primary microlumps or nanosheets) of orthorhombic ZPT:Ln3+ could be selectively prepared by adjusting the pH value from 3.5 to 7.0. A mixture of orthorhombic ZPT:Ln3+ and monoclinic AZP:Ln3+ with a microflower morphology was obtained when the pH value was adjusted to 8.0. Monoclinic AZP:Ln3+ microplate, microcube and nanoparticle morphologies were obtained at pH values of 8.5, 9.0 and 11.0 respectively. The phase transformation and growth mechanism of the diverse morphologies were proposed, and ZPT:Ln3+ (Ln3+ = Eu or Tb) samples exhibit red or green emission under the excitation of UV light.Ln3+ (Ln = Tb, Eu) doped zinc phosphate tetrahydrate (ZPT:Ln3+) and ammonium zinc phosphate (AZP:Ln3+) nano-/micro-structured materials were synthesized in aqueous solution without the addition of any structure-directing agent. The phase structures, morphologies and luminescence properties of the as-synthesized samples were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM), photoluminescence (PL) spectroscopy and lifetime. These investigations indicate that different phosphate sources MnH(3-n)PO4 (M = NH4+ or Na+, n = 1, 2, 3) can lead to the altering of morphology from nanosheet to microflower, but have no significant effect on the phase structure of the samples. The microlump, nanosheet, and microflower (constructed by the primary microlumps or nanosheets) of orthorhombic ZPT:Ln3+ could be selectively prepared by adjusting the pH value from 3.5 to 7.0. A mixture of orthorhombic ZPT:Ln3+ and monoclinic AZP:Ln3+ with a microflower morphology was obtained when the pH value was adjusted to 8.0. Monoclinic AZP:Ln3+ microplate, microcube and nanoparticle morphologies were obtained at pH values of 8.5, 9.0 and 11.0 respectively. The phase transformation and growth mechanism of the diverse morphologies were proposed, and ZPT:Ln3+ (Ln3+ = Eu or Tb) samples exhibit red or green emission under the excitation of UV light. Electronic supplementary information (ESI) available: Additional XRD patterns, EDX, SEM and TEM images, dependence of the average lifetimes on the different doping concentrations of Eu3+ and Tb3+. See DOI: 10.1039/c3nr03749e

Quinoa - Adaptive Computational Fluid Dynamics, 0.2

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

Bakosi, Jozsef; Gonzalez, Francisco; Rogers, Brandon

Quinoa is a set of computational tools that enables research and numerical analysis in fluid dynamics. At this time it remains a test-bed to experiment with various algorithms using fully asynchronous runtime systems. Currently, Quinoa consists of the following tools: (1) Walker, a numerical integrator for systems of stochastic differential equations in time. It is a mathematical tool to analyze and design the behavior of stochastic differential equations. It allows the estimation of arbitrary coupled statistics and probability density functions and is currently used for the design of statistical moment approximations for multiple mixing materials in variable-density turbulence. (2) Inciter,more » an overdecomposition-aware finite element field solver for partial differential equations using 3D unstructured grids. Inciter is used to research asynchronous mesh-based algorithms and to experiment with coupling asynchronous to bulk-synchronous parallel code. Two planned new features of Inciter, compared to the previous release (LA-CC-16-015), to be implemented in 2017, are (a) a simple Navier-Stokes solver for ideal single-material compressible gases, and (b) solution-adaptive mesh refinement (AMR), which enables dynamically concentrating compute resources to regions with interesting physics. Using the NS-AMR problem we plan to explore how to scale such high-load-imbalance simulations, representative of large production multiphysics codes, to very large problems on very large computers using an asynchronous runtime system. (3) RNGTest, a test harness to subject random number generators to stringent statistical tests enabling quantitative ranking with respect to their quality and computational cost. (4) UnitTest, a unit test harness, running hundreds of tests per second, capable of testing serial, synchronous, and asynchronous functions. (5) MeshConv, a mesh file converter that can be used to convert 3D tetrahedron meshes from and to either of the following formats: Gmsh, (http://www.geuz.org/gmsh), Netgen, (http://sourceforge.net/apps/mediawiki/netgen-mesher), ExodusII, (http://sourceforge.net/projects/exodusii), HyperMesh, (http://www.altairhyperworks.com/product/HyperMesh).« less

Kinetics of Cd(ii) adsorption and desorption on ferrihydrite: experiments and modeling.

PubMed

Liang, Yuzhen; Tian, Lei; Lu, Yang; Peng, Lanfang; Wang, Pei; Lin, Jingyi; Cheng, Tao; Dang, Zhi; Shi, Zhenqing

2018-05-15

The kinetics of Cd(ii) adsorption/desorption on ferrihydrite is an important process affecting the fate, transport, and bioavailability of Cd(ii) in the environment, which was rarely systematically studied and understood at quantitative levels. In this work, a combination of stirred-flow kinetic experiments, batch adsorption equilibrium experiments, high-resolution transmission electron microscopy (HR-TEM), and mechanistic kinetic modeling were used to study the kinetic behaviors of Cd(ii) adsorption/desorption on ferrihydrite. HR-TEM images showed the open, loose, and sponge-like structure of ferrihydrite. The batch adsorption equilibrium experiments revealed that higher pH and initial metal concentration increased Cd(ii) adsorption on ferrihydrite. The stirred-flow kinetic results demonstrated the increased adsorption rate and capacity as a result of the increased pH, influent concentration, and ferrihydrite concentration. The mechanistic kinetic model successfully described the kinetic behaviors of Cd(ii) during the adsorption and desorption stages under various chemistry conditions. The model calculations showed that the adsorption rate coefficients varied as a function of solution chemistry, and the relative contributions of the weak and strong ferrihydrite sites for Cd(ii) binding varied with time at different pH and initial metal concentrations. Our model is able to quantitatively assess the contributions of each individual ferrihydrite binding site to the overall Cd(ii) adsorption/desorption kinetics. This study provided insights into the dynamic behavior of Cd(ii) and a predictive modeling tool for Cd(ii) adsorption/desorption kinetics when ferrihydrite is present, which may be helpful for the risk assessment and management of Cd contaminated sites.

Advanced multiphysics coupling for LWR fuel performance analysis

DOE PAGES

Hales, J. D.; Tonks, M. R.; Gleicher, F. N.; ...

2015-10-01

Even the most basic nuclear fuel analysis is a multiphysics undertaking, as a credible simulation must consider at a minimum coupled heat conduction and mechanical deformation. The need for more realistic fuel modeling under a variety of conditions invariably leads to a desire to include coupling between a more complete set of the physical phenomena influencing fuel behavior, including neutronics, thermal hydraulics, and mechanisms occurring at lower length scales. This paper covers current efforts toward coupled multiphysics LWR fuel modeling in three main areas. The first area covered in this paper concerns thermomechanical coupling. The interaction of these two physics,more » particularly related to the feedback effect associated with heat transfer and mechanical contact at the fuel/clad gap, provides numerous computational challenges. An outline is provided of an effective approach used to manage the nonlinearities associated with an evolving gap in BISON, a nuclear fuel performance application. A second type of multiphysics coupling described here is that of coupling neutronics with thermomechanical LWR fuel performance. DeCART, a high-fidelity core analysis program based on the method of characteristics, has been coupled to BISON. DeCART provides sub-pin level resolution of the multigroup neutron flux, with resonance treatment, during a depletion or a fast transient simulation. Two-way coupling between these codes was achieved by mapping fission rate density and fast neutron flux fields from DeCART to BISON and the temperature field from BISON to DeCART while employing a Picard iterative algorithm. Finally, the need for multiscale coupling is considered. Fission gas production and evolution significantly impact fuel performance by causing swelling, a reduction in the thermal conductivity, and fission gas release. The mechanisms involved occur at the atomistic and grain scale and are therefore not the domain of a fuel performance code. However, it is possible to use lower length scale models such as those used in the mesoscale MARMOT code to compute average properties, e.g. swelling or thermal conductivity. These may then be used by an engineering-scale model. Examples of this type of multiscale, multiphysics modeling are shown.« less

Effect of safflower oil on the protective properties of the in situ formed salivary pellicle.

PubMed

Hannig, C; Wagenschwanz, C; Pötschke, S; Kümmerer, K; Kensche, A; Hoth-Hannig, W; Hannig, M

2012-01-01

The prevalence of dental erosion is still increasing. A possible preventive approach might be rinsing with edible oils to improve the protective properties of the pellicle layer. This was tested in the present in situ study using safflower oil. Pellicle formation was carried out in situ on bovine enamel slabs fixed buccally to individual upper jaw splints (6 subjects). After 1 min of pellicle formation subjects rinsed with safflower oil for 10 min, subsequently the samples were exposed in the oral cavity for another 19 min. Enamel slabs without oral exposure and slabs exposed to the oral cavity for 30 min without any rinse served as controls. After pellicle formation in situ, slabs were incubated in HCl (pH 2; 2.3; 3) for 120 s, and kinetics of calcium and phosphate release were measured photometrically (arsenazo III, malachite green). Furthermore, the ultrastructure of the pellicles was evaluated by transmission electron microscopy (TEM). Pellicle alone reduced erosive calcium and phosphate release significantly at all pH values. Pellicle modification by safflower oil resulted in an enhanced calcium loss at all pH values and caused an enhanced phosphate loss at pH 2.3. TEM indicated scattered accumulation of lipid micelles and irregular vesicle-like structures attached to the oil-treated pellicle layer. Acid etching affected the ultrastructure of the pellicle irrespective of oil rinsing. The protective properties of the pellicle layer against extensive erosive attacks are limited and mainly determined by pH. The protective effects are modified and reduced by rinses with safflower oil. Copyright © 2012 S. Karger AG, Basel.

In situ nanomechanical testing of twinned metals in a transmission electron microscope

DOE PAGES

Li, Nan; Wang, Jiangwei; Mao, Scott; ...

2016-04-01

This paper focuses on in situ transmission electron microscope (TEM) characterization to explore twins in face-centered-cubic and body-centered-cubic monolithic metals, and their impact on the overall mechanical performance. Taking advantage of simultaneous nanomechanical deformation and nanoscale imaging using versatile in situ TEM tools, direct correlation of these unique microscopic defects with macroscopic mechanical performance becomes possible. This article summarizes recent evidence to support the mechanisms related to strengthening and plasticity in metals, including nanotwinned Cu, Ni, Al, Au, and others in bulk, thin film, and nanowire forms.

In situ nanomechanical testing of twinned metals in a transmission electron microscope

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

Li, Nan; Wang, Jiangwei; Mao, Scott

This paper focuses on in situ transmission electron microscope (TEM) characterization to explore twins in face-centered-cubic and body-centered-cubic monolithic metals, and their impact on the overall mechanical performance. Taking advantage of simultaneous nanomechanical deformation and nanoscale imaging using versatile in situ TEM tools, direct correlation of these unique microscopic defects with macroscopic mechanical performance becomes possible. This article summarizes recent evidence to support the mechanisms related to strengthening and plasticity in metals, including nanotwinned Cu, Ni, Al, Au, and others in bulk, thin film, and nanowire forms.

Monitoring Autophagy Immunohistochemically and Ultrastructurally during Human Head and Neck Carcinogenesis. Relationship with the DNA Damage Response Pathway †

PubMed Central

Havaki, Sophia; Vlachou, Vassiliki; Zampetidis, Christos P.; Selemenakis, Platonas; Kotsinas, Athanassios; Mavrogonatou, Eleni; Rizou, Sophia V.; Kyrodimos, Euthymios; Evangelou, Konstantinos; Kletsas, Dimitris; Giatromanolaki, Alexandra; Gorgoulis, Vassilis G.

2017-01-01

Autophagy is a catabolic process that preserves cellular homeostasis. Its exact role during carcinogenesis is not completely defined. Specifically in head and neck cancer, such information from clinical settings that comprise the whole spectrum of human carcinogenesis is very limited. Towards this direction, we examined the in situ status of the autophagy-related factors, Beclin-1, microtubule-associated protein 1 light chain 3, member B (LC3B) and sequestosome 1/p62 (p62) in clinical material covering all histopathological stages of human head and neck carcinogenesis. This material is unique as each panel of lesions is derived from the same patient and moreover we have previously assessed it for the DNA damage response (DDR) activation status. Since Beclin-1, LC3B and p62 reflect the nucleation, elongation and degradation stages of autophagy, respectively, their combined immunohistochemical (IHC) expression profiles could grossly mirror the autophagic flux. This experimental approach was further corroborated by ultrastructural analysis, applying transmission electron microscopy (TEM). The observed Beclin-1/LC3B/p62 IHC patterns, obtained from serial sections analysis, along with TEM findings are suggestive of a declined authophagic activity in preneoplastic lesions that was restored in full blown cancers. Correlating these findings with DDR status in the same pathological stages are indicative of: (i) an antitumor function of autophagy in support to that of DDR, possibly through energy deprivation in preneoplastic stages, thus preventing incipient cancer cells from evolving; and (ii) a tumor-supporting role in the cancerous stage. PMID:28880214

Monitoring Autophagy Immunohistochemically and Ultrastructurally during Human Head and Neck Carcinogenesis. Relationship with the DNA Damage Response Pathway.

PubMed

Havaki, Sophia; Vlachou, Vassiliki; Zampetidis, Christos P; Selemenakis, Platonas; Kotsinas, Athanassios; Mavrogonatou, Eleni; Rizou, Sophia V; Kyrodimos, Euthymios; Evangelou, Konstantinos; Kletsas, Dimitris; Giatromanolaki, Alexandra; Gorgoulis, Vassilis G

2017-09-07

Autophagy is a catabolic process that preserves cellular homeostasis. Its exact role during carcinogenesis is not completely defined. Specifically in head and neck cancer, such information from clinical settings that comprise the whole spectrum of human carcinogenesis is very limited. Towards this direction, we examined the in situ status of the autophagy-related factors, Beclin-1, microtubule-associated protein 1 light chain 3, member B (LC3B) and sequestosome 1/p62 (p62) in clinical material covering all histopathological stages of human head and neck carcinogenesis. This material is unique as each panel of lesions is derived from the same patient and moreover we have previously assessed it for the DNA damage response (DDR) activation status. Since Beclin-1, LC3B and p62 reflect the nucleation, elongation and degradation stages of autophagy, respectively, their combined immunohistochemical (IHC) expression profiles could grossly mirror the autophagic flux. This experimental approach was further corroborated by ultrastructural analysis, applying transmission electron microscopy (TEM). The observed Beclin-1/LC3B/p62 IHC patterns, obtained from serial sections analysis, along with TEM findings are suggestive of a declined authophagic activity in preneoplastic lesions that was restored in full blown cancers. Correlating these findings with DDR status in the same pathological stages are indicative of: (i) an antitumor function of autophagy in support to that of DDR, possibly through energy deprivation in preneoplastic stages, thus preventing incipient cancer cells from evolving; and (ii) a tumor-supporting role in the cancerous stage.

Molecular epidemiology of penicillinase-producing Neisseria gonorrhoeae isolates in France.

PubMed

Micaëlo, M; Goubard, A; La Ruche, G; Denamur, E; Tenaillon, O; Cambau, E; Jacquier, H; Bercot, B

2017-12-01

Characterizing the molecular epidemiology of antibiotic resistance is crucial for a better understanding of the evolution and spread of resistance in Neisseria gonorrhoeae. Here, we examine the molecular epidemiology of penicillinase-producing N. gonorrhoeae (PPNG) isolates in France. We investigated 176 PPNG isolates collected between 2010 and 2012 by the National Reference Centre in France. Genotyping was performed using the NG-MAST technique, bla TEM genes were Sanger-sequenced, and plasmids were characterized by PCR-typing. We revealed the existence of four major clusters representing about one-third of PPNG circulating in France. These clusters were related to ST1479 (18/176, 10.2%), to ST1582 (15/176, 8.5%), to ST8922 (10/176, 5.6%), and to ST1285 (9/176, 5.1%). Wild-type TEM-1 was identified in 151 (151/176, 85.8%) PPNG isolates, and TEM-1 variants were mostly represented by the M182T mutation (14/176, 8%), followed by P14S/L (8/176, 4.5%), G228S (2/176, 1.1%), and Q269K (1/176, 0.6%). The bla TEM genes were carried by African (157/176, 89.2%), Asian (13/176, 7.4%), and Toronto/Rio (6/176, 3.4%) plasmids. The M182T variants were found in various genetic backgrounds, whereas the P14S variants were disseminated clonally. The G228S and Q269K variants belong to one of the four major clusters of PPNG, which suggests a recent de novo emergence of these mutations. Our results show that approximately one-third of the penicillinase-producing N. gonorrhoeae isolates in France belong to one of four major clusters and that the spread of the different TEM variants is associated with distinct patterns of molecular epidemiology. Copyright © 2017 European Society of Clinical Microbiology and Infectious Diseases. Published by Elsevier Ltd. All rights reserved.

Efficient synthesis of highly fluorescent nitrogen-doped carbon dots for cell imaging using unripe fruit extract of Prunus mume

NASA Astrophysics Data System (ADS)

Atchudan, Raji; Edison, Thomas Nesakumar Jebakumar Immanuel; Sethuraman, Mathur Gopalakrishnan; Lee, Yong Rok

2016-10-01

Highly fluorescent nitrogen-doped carbon dots (N-CDs) were synthesized using the extract of unripe Prunus mume (P. mume) fruit by a simple one step hydrothermal-carbonization method. The N-CDs were synthesized at different pH ranges, 2.3, 5, 7, and 9. The pH of the P. mume extract was adjusted using an aqueous ammonia solution (25%). The optical properties of N-CDs were examined by UV-vis and fluorescence spectroscopy. The N-CDs synthesized at pH 9 emitted high fluorescence intensity compared to other obtained N-CDs. The N-CDs synthesized at pH 9 was further characterized by high resolution transmission electron microscopy (HR-TEM), X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and Fourier transform-infra red (FT-IR) spectroscopy. HR-TEM showed that the average size of the synthesized N-CDs was approximately 9 nm and the interlayer distance was 0.21 nm, which was validated by XRD. The graphitic nature of the synthesized N-CDs were confirmed by Raman spectroscopy. XPS and FT-IR spectroscopy confirmed the doping of the nitrogen moiety over the synthesized CDs. The synthesized nitrogen doped CDs (N-CDs) were low toxicity and were used as a staining probe for fluorescence cell imaging.

US Navy Global and Regional Wave Modeling

DTIC Science & Technology

2014-09-01

Future plans call for increasing the resolution to 0.5 degree, upgrading to WW3 version 4, and including the ...NAVOCEANO WW3 system is in the early stages, and a number of key shortcomings have been identified for future improvement. The multigrid sys- tem...J. Shriver, R. Helber, P. Spence, S . Carroll, O.M. Smedstad, and B. Lunde. 2011. Validation Test Report for the Navy Coupled Ocean

TEM1 expression in cancer-associated fibroblasts is correlated with a poor prognosis in patients with gastric cancer

PubMed Central

Fujii, Satoshi; Fujihara, Ayano; Natori, Kei; Abe, Anna; Kuboki, Yasutoshi; Higuchi, Youichi; Aizawa, Masaki; Kuwata, Takeshi; Kinoshita, Takahiro; Yasui, Wataru; Ochiai, Atsushi

2015-01-01

The cancer stroma, including cancer-associated fibroblasts (CAFs), is known to contribute to cancer cell progression and metastasis, suggesting that functional proteins expressed specifically in CAFs might be candidate molecular targets for cancer treatment. The purpose of the present study was to explore the possibility of using TEM1 (tumor endothelial marker 1), which is known to be expressed in several types of mesenchymal cells, as a molecular target by examining the impact of TEM1 expression on clinicopathological factors in gastric cancer patients. A total of 945 consecutive patients with gastric cancer who underwent surgery at the National Cancer Center Hospital East between January 2003 and July 2007 were examined using a tissue microarray approach. TEM1 expression in CAFs or vessel-associated cells was determined using immunohistochemical staining. Three items (CAF-TEM1-positivity, CAF-TEM1-intensity, and vessel-TEM1-intensity) were then examined to determine the correlations between the TEM1 expression status and the recurrence-free survival (RFS), overall survival (OS), cancer-related survival (COS), and other clinicopathological factors. Significant correlations between CAF-TEM1-positivity or CAF-TEM1-intensity and RFS, OS, or COS were observed (P < 0.001, Kaplan–Meier curves); however, no significant correlation between vessel-TEM1-intensity and RFS, OS, or COS was observed. A univariate analysis showed that CAF-TEM1-positivity and CAF-TEM1-intensity were each correlated with a scirrhous subtype, tumor depth, nodal status, distant metastasis, serosal invasion, lymphatic or venous vessel infiltrations, and pTMN stage. This study suggests that the inhibition of TEM1 expression specifically in the CAFs of gastric carcinoma might represent a new strategy for the treatment of gastric cancer. PMID:26336878

Examining Wetting and Dewetting Processes in Thin-films on Crystalline Substrates at the Nanoscale

NASA Astrophysics Data System (ADS)

Hihath, Sahar

Controlling the wetting and dewetting of ultra-thin films on solid substrates is important for a variety of technological and fundamental research applications. These applications include film deposition for semiconductor manufacturing, the growth of nanowires through nanoparticle-based catalysis sites, to making ordered arrays of nanoscale particles for electronic and optical devices. However, despite the importance of these processes, the underlying mechanisms by which a film wets a surface or dewets from it is still often unclear and widely debated. In this dissertation we examine wetting and dewetting processes in three materials systems that are relevant for device applications with the ultimate goal of understanding what mechanisms drive the wetting (or dewetting) process in each case. First, we examine the formation of wetting layers between nanoparticle films and highly conductive GaAs substrates for spintronic applications. In this case, the formation of a wetting layer is important for nanoparticle adhesion on the substrate surface. Wetting layers can be made by annealing these systems, which causes elemental diffusion from nanoparticles into the substrate, thereby adhesion between the nanoparticles and the substrate. Here we investigate the feasibility of forming a wetting layer underneath nanoparticles post-annealing in a system of Fe3O4 nanoparticles on a (100) GaAs substrate by studying the interface structure and composition via Transmission Electron Microscopy (TEM), Scanning Transmission Electron Microscopy (STEM), Electron Energy Loss Spectroscopy (EELS) and Energy Dispersive X-ray Spectroscopy (EDXS). Electron Energy-Loss fine structures of the Fe-L 3,2 and O-K absorption edges were quantitatively analyzed to gain insight about the compositional gradient of the interface between the nanoparticles and the GaAs substrate. Additionally, real-space density functional theory calculations of the dynamical form factor was performed to confirm the experimental observations. Second, the fundamental mechanisms that govern the onset of dewetting of thin metal films in both liquid and solid state are investigated. Dewetting processes are used in numerous technological applications. For instance, the dewetting of thin films on substrates is used for making spatially ordered nanoparticle arrays for use in plasmonics, nanophotonics, and magnetics. [1] In addition to dewetting applications in industry and research, dewetting processes have adverse impact on the reliability of semiconductor devices as it can limit the functionality of metal contacts utilized in transistors at elevated temperatures. The morphological changes during dewetting have been studied previously in plan-view by Scanning Electron Microscopy (SEM) after the annealing is completed, and in some cases in cross-section via real-time Transmission Electron Microscopy (TEM). However, due to temporal limitations of image acquisition in TEM, which is in the range of milliseconds, it has not been possible thus far to investigate the dynamics of the dewetting process with high-speed time resolution from nano- to micro-seconds. To gain insights into the fundamental mechanisms involved in dewetting, the early stages of the dewetting process were investigated via Dynamic Transmission Electron Microscopy (DTEM) with nanosecond time and nanometer spatial resolution. The experiments were performed on plan-view TEM samples consisting of nickel thin-films on (100) silicon substrates with a 2-3 nm thick native oxide. The laser ablation dynamics were captured, which involved liquid phase dewetting of the nickel film followed by substrate fracture and nanoscale particle expulsion. Finally, to capture the full dynamics of the dewetting process the experiments were performed on a system of nickel thin-films on (100) Strontium Titanate (STO) substrates. Samples of nickel thin-films on STO substrates have lower thermal expansion coefficient mismatch compared to the system discussed above. Thus, the STO substrates did not fracture after laser irradiation and enabled us to capture the progress of hole growth with time. Valence Electron Energy Loss spectroscopy was used to find the thickness of the TEM sample in order to calculate the geometry and simulate the temperature fields via finite element analysis with COMSOL Multiphysics package. Spatio-temporal temperature plots acquired from finite element modeling suggests that both liquid and solid-state dewetting processes were observed depending upon the magnitude of the laser energy used.

The Integrated Plasma Simulator: A Flexible Python Framework for Coupled Multiphysics Simulation

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

Foley, Samantha S; Elwasif, Wael R; Bernholdt, David E

2011-11-01

High-fidelity coupled multiphysics simulations are an increasingly important aspect of computational science. In many domains, however, there has been very limited experience with simulations of this sort, therefore research in coupled multiphysics often requires computational frameworks with significant flexibility to respond to the changing directions of the physics and mathematics. This paper presents the Integrated Plasma Simulator (IPS), a framework designed for loosely coupled simulations of fusion plasmas. The IPS provides users with a simple component architecture into which a wide range of existing plasma physics codes can be inserted as components. Simulations can take advantage of multiple levels ofmore » parallelism supported in the IPS, and can be controlled by a high-level ``driver'' component, or by other coordination mechanisms, such as an asynchronous event service. We describe the requirements and design of the framework, and how they were implemented in the Python language. We also illustrate the flexibility of the framework by providing examples of different types of simulations that utilize various features of the IPS.« less

Double-tilt in situ TEM holder with ultra-high stability.

PubMed

Xu, Mingjie; Dai, Sheng; Blum, Thomas; Li, Linze; Pan, Xiaoqing

2018-05-06

A double tilting holder with high stability is essential for acquiring atomic-scale information by transmission electron microscopy (TEM), but the availability of such holders for in situ TEM studies under various external stimuli is limited. Here, we report a unique design of seal-bearing components that provides ultra-high stability and multifunctionality (including double tilting) in an in situ TEM holder. The seal-bearing subsystem provides superior vibration damping and electrical insulation while maintaining excellent vacuum sealing and small form factor. A wide variety of in situ TEM applications including electrical measurement, STM mapping, photovoltaic studies, and CL spectroscopy can be performed on this platform with high spatial resolution imaging and electrical sensitivity at the pA scale. Copyright © 2018 Elsevier B.V. All rights reserved.

TEM-187, a new extended-spectrum β-lactamase with weak activity in a Proteus mirabilis clinical strain.

PubMed

Corvec, Stéphane; Beyrouthy, Racha; Crémet, Lise; Aubin, Guillaume Ghislain; Robin, Frédéric; Bonnet, Richard; Reynaud, Alain

2013-05-01

A Proteus mirabilis clinical strain (7001324) was isolated from urine sample of a patient hospitalized in a long-term-care facility. PCR and cloning experiments performed with this strain identified a novel TEM-type β-lactamase (TEM-187) differing by four amino acid substitutions (Leu21Phe, Arg164His, Ala184Val, and Thr265Met) from TEM-1. This characterization provides further evidence for the diversity of extended-spectrum β-lactamases (ESBL) produced by P. mirabilis and for their potential spread to other Enterobacteriaceae due to a lack of sensitive detection methods used in daily practice.

Persistent Organic Pollutants (POPs) in the atmosphere of three Chilean cities using passive air samplers.

PubMed

Pozo, Karla; Oyola, Germán; Estellano, Victor H; Harner, Tom; Rudolph, Anny; Prybilova, Petra; Kukucka, Petr; Audi, Ondrej; Klánová, Jana; Metzdorff, America; Focardi, Silvano

2017-05-15

In this study passive air samplers containing polyurethane foam (PUF) disks were deployed in three cities across Chile; Santiago (STG) (n=5, sampling sites), Concepciόn (CON) (n=6) and Temuco (TEM) (n=6) from 2008 to 2009. Polychlorinated biphenyls (PCBs) (7 indicator congeners), chlorinated pesticides hexachlorocyclohexanes (HCHs), dichlorodiphenyl trichloroethanes (DDTs) and flame retardants such as polybrominated diphenyl ethers (PBDEs) were determined by gas chromatography coupled mass spectrometry (GC/MS). A sampling rate (R) typical of urban sites (4m 3 /day) was used to estimate the atmospheric concentrations of individual compounds. PCB concentrations in the air (pg/m 3 ) ranged from ~1-10 (TEM), ~1-40 (STG) and 4-30 (CON). Higher molecular weight PCBs (PCB-153, -180) were detected at industrial sites (in Concepción). The HCHs showed a prevalence of γ-HCH across all sites, indicative of inputs from the use of lindane but a limited use of technical HCHs in Chile. DDTs were detected with a prevalence of p,p'-DDE accounting for ~50% of the total DDTs. PBDE concentrations in air (pg/m 3 ) ranged from 1 to 55 (STG), 0.5 to 20 (CON) and from 0.4 to 10 (TEM), and were generally similar to those reported for many other urban areas globally. The pattern of PBDEs was different among the three cities; however, PBDE-209 was dominant at most of the sites. These results represent one of the few assessments of air concentrations of POPs across different urban areas within the same country. These data will support Chilean commitments as a signatory to the Stockholm Convention on POPs and for reporting as a member country of the Group of Latin America and Caribbean Countries (GRULAC) region. Copyright © 2016 Elsevier B.V. All rights reserved.

Design and Implementation of a CMOS Chip for a Prolog

DTIC Science & Technology

1988-03-01

generation scheme . We use the P -circuit [9] with pre-conditioning and post- conditioning 12,3] circuits to generate the carry. The implementation of...system generates vertical microcode for a general purpose processor, the NCR 9300 sys- S tem, from W- code [7]. Three significant pieces of software are...calculation block generating the pro- pagate ( P ) and generate (G) signals needed for carry calculation, and a sum block supplying the final result. The top

Computation of Thermodynamic Equilibria Pertinent to Nuclear Materials in Multi-Physics Codes

NASA Astrophysics Data System (ADS)

Piro, Markus Hans Alexander

Nuclear energy plays a vital role in supporting electrical needs and fulfilling commitments to reduce greenhouse gas emissions. Research is a continuing necessity to improve the predictive capabilities of fuel behaviour in order to reduce costs and to meet increasingly stringent safety requirements by the regulator. Moreover, a renewed interest in nuclear energy has given rise to a "nuclear renaissance" and the necessity to design the next generation of reactors. In support of this goal, significant research efforts have been dedicated to the advancement of numerical modelling and computational tools in simulating various physical and chemical phenomena associated with nuclear fuel behaviour. This undertaking in effect is collecting the experience and observations of a past generation of nuclear engineers and scientists in a meaningful way for future design purposes. There is an increasing desire to integrate thermodynamic computations directly into multi-physics nuclear fuel performance and safety codes. A new equilibrium thermodynamic solver is being developed with this matter as a primary objective. This solver is intended to provide thermodynamic material properties and boundary conditions for continuum transport calculations. There are several concerns with the use of existing commercial thermodynamic codes: computational performance; limited capabilities in handling large multi-component systems of interest to the nuclear industry; convenient incorporation into other codes with quality assurance considerations; and, licensing entanglements associated with code distribution. The development of this software in this research is aimed at addressing all of these concerns. The approach taken in this work exploits fundamental principles of equilibrium thermodynamics to simplify the numerical optimization equations. In brief, the chemical potentials of all species and phases in the system are constrained by estimates of the chemical potentials of the system components at each iterative step, and the objective is to minimize the residuals of the mass balance equations. Several numerical advantages are achieved through this simplification. In particular, computational expense is reduced and the rate of convergence is enhanced. Furthermore, the software has demonstrated the ability to solve systems involving as many as 118 component elements. An early version of the code has already been integrated into the Advanced Multi-Physics (AMP) code under development by the Oak Ridge National Laboratory, Los Alamos National Laboratory, Idaho National Laboratory and Argonne National Laboratory. Keywords: Engineering, Nuclear -- 0552, Engineering, Material Science -- 0794, Chemistry, Mathematics -- 0405, Computer Science -- 0984

Modified g-C3N4/TiO2 nanosheets/ZnO ternary facet coupled heterojunction for photocatalytic degradation of p-toluenesulfonic acid (p-TSA) under visible light

NASA Astrophysics Data System (ADS)

Jiang, Dong; Yu, Han; Yu, Hongbing

2017-01-01

Novel ternary nanocomposites with facet coupled structure were synthesized by using modified g-C3N4, TiO2 nanosheets and nano-ZnO. Nanosheet/nanosheet heterojunction structure was investigated by TEM, XPS and XRD. FT-IR and Nitrogen adsorption were illustrated for chemical/physical structure analyses. Solution of p-Toluenesulfonic acid (p-TSA) was chosen as target pollutant for visible light photodegradation and the excellent removal efficiency was achieved by this structurally modified g-C3N4/TiO2/ZnO hybrid. The visible light absorption improvement and quantum efficiency enhancement, which were testified by UV-vis DRS, PL and p-TSA photodegradation measurements, due to the facet coupled structure and appropriate quantity of modified g-C3N4 in the nanocomposites.

User Instructions for the 1991 Version of the EPIC Research Code

DTIC Science & Technology

1992-01-01

5X. F!) 0. A50) MATL. 1 DAM IFAIL EFAIL MATERIAL DESCRIPTION P. 44 CARD 2 FOR SOLIDS (61 10.0. 15) -TTZR MOEP.4 DENSITY ISPH- HEAT TEM I TROOM TMELT...215, 1 SX, F5.0) MAftL 0 EFAIL .P. 49 D)ESCIPSTION CARD FOR CRUSHABLE SOLIDS INPUT DATA (215, 15X. F5.0, A50) MAIL 1 3 k\\ FAIL MAIEIIIAL DESCRIPTION P...CARD FOR LIQUIDS FROM LIBRARY (215. 15X. FS&0) MATL 0 EFAIL P. 50 DESCRIPTON CARD FOR LIOUCS INPUT DATA (215.1 SX. F.. AS) MATL 1 4 EFAIL MATERIAL

Numerical modeling of the fetal blood flow in the placental circulatory system

NASA Astrophysics Data System (ADS)

Shannon, Alexander; Gallucci, Sergio; Mirbod, Parisa

2015-11-01

The placenta is a unique organ of exchange between the growing fetus and the mother. It incorporates almost all functions of the adult body, acting as the fetal lung, digestive and immune systems, to mention a few. The exchange of oxygen and nutrients takes place at the surface of the villous tree. Using an idealized geometry of the fetal villous trees in the mouse placenta, in this study we performed 3D computational analysis of the unsteady fetal blood flow, gas, and nutrient transport over the chorionic plate. The fetal blood was treated as an incompressible Newtonian fluid, and the oxygen and nutrient were treated as a passive scalar dissolved in blood plasma. The flow was laminar, and a commercial CFD code (COMSOL Multiphysics) has been used for the simulation. COMSOL has been selected because it is multi-physics FEM software that allows for the seamless coupling of different physics represented by partial differential equations. The results clearly illustrate that the specific branching pattern and the in-plane curvature of the fetal villous trees affect the delivery of blood, gas and nutrient transport to the whole placenta.

Physics-based multiscale coupling for full core nuclear reactor simulation

DOE PAGES

Gaston, Derek R.; Permann, Cody J.; Peterson, John W.; ...

2015-10-01

Numerical simulation of nuclear reactors is a key technology in the quest for improvements in efficiency, safety, and reliability of both existing and future reactor designs. Historically, simulation of an entire reactor was accomplished by linking together multiple existing codes that each simulated a subset of the relevant multiphysics phenomena. Recent advances in the MOOSE (Multiphysics Object Oriented Simulation Environment) framework have enabled a new approach: multiple domain-specific applications, all built on the same software framework, are efficiently linked to create a cohesive application. This is accomplished with a flexible coupling capability that allows for a variety of different datamore » exchanges to occur simultaneously on high performance parallel computational hardware. Examples based on the KAIST-3A benchmark core, as well as a simplified Westinghouse AP-1000 configuration, demonstrate the power of this new framework for tackling—in a coupled, multiscale manner—crucial reactor phenomena such as CRUD-induced power shift and fuel shuffle. 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-SA license« less

Electron tomography of whole cultured cells using novel transmission electron imaging technique.

PubMed

Okumura, Taiga; Shoji, Minami; Hisada, Akiko; Ominami, Yusuke; Ito, Sukehiro; Ushiki, Tatsuo; Nakajima, Masato; Ohshima, Takashi

2018-01-01

Since a three-dimensional (3D) cellular ultrastructure is significant for biological functions, it has been investigated using various electron microscopic techniques. Although transmission electron microscopy (TEM)-based techniques are traditionally used, cells must be embedded in resin and sliced into ultrathin sections in sample preparation processes. Block-face observation using a scanning electron microscope (SEM) has also been recently applied to 3D observation of cellular components, but this is a destructive inspection and does not allow re-examination. Therefore, we developed electron tomography using a transmission electron imaging technique called Plate-TEM. With Plate-TEM, the cells cultured directly on a scintillator plate are inserted into a conventional SEM equipped with a Plate-TEM observation system, and their internal structures are observed by detecting scintillation light produced by electrons passing through the cells. This technology has the following four advantages. First, the cells cultured on the plate can be observed at electron-microscopic resolution since they remain on the plate. Second, both surface and internal information can be obtained simultaneously by using electron- and photo-detectors, respectively, because a Plate-TEM detector is installed in an SEM. Third, the cells on the scintillator plate can also be inspected using light microscopy because the plate has transparent features. Finally, correlative observation with other techniques, such as conventional TEM, is possible after Plate-TEM observation because Plate-TEM is a non-destructive analysis technique. We also designed a sample stage to tilt the samples for tomography with Plate-TEM, by which 3D organization of cellular structures can be visualized as a whole cell. In the present study, Mm2T cells were investigated using our tomography system, resulting in 3D visualization of cell organelles such as mitochondria, lipid droplets, and microvilli. Correlative observations with various imaging techniques were also conducted by successive observations with light microscopy, SEM, Plate-TEM, and conventional TEM. Consequently, the Plate-TEM tomography technique encourages understanding of cellular structures at high resolution, which can contribute to cellular biological research. Copyright © 2017 Elsevier Ltd. All rights reserved.

Chronological Change of Resistance to β-Lactams in Salmonella enterica serovar Infantis Isolated from Broilers in Japan.

PubMed

Chuma, Takehisa; Miyasako, Daisuke; Dahshan, Hesham; Takayama, Tomoko; Nakamoto, Yuko; Shahada, Francis; Akiba, Masato; Okamoto, Karoku

2013-01-01

Epidemiologic surveillance study was conducted in southern Japan to determine the antimicrobial resistance phenotypes and characterize the β-lactamase genes and the plasmids harboring these genes in Salmonella enterica serovar Infantis (S. Infantis) isolates from broilers. Between January, 2007 and December, 2008, a total of 1,472 fecal samples were collected and examined at the Laboratory of Veterinary Public Health, Kagoshima University, Japan. In 93 (6.3%) isolates recovered, 33 (35.5%) isolates showed resistance to cefotaxime, an extended-spectrum cephalosporin (ESC), conferred by TEM-20, TEM-52 and CTX-M-25 extended-spectrum β-lactamases (ESBLs). In addition to ESC-resistance, eight (8.6%) isolates exhibited resistance to cefoxitin mediated by CMY-2 AmpC β-lactamase. Plasmid analysis and polymerase chain reaction replicon typing revealed the bla TEM-20 and bla CMY-2 genes were associated with IncP plasmids, bla TEM-52 was linked with a non-typable plasmid and bla CTX-M-25 was carried by an IncA/C plasmid. Non-β-lactam resistance to streptomycin, sulfamethoxazole, and oxytetracycline encoded by the aadA1, sul1, and tet(A) genes, respectively, was found in 86 (92.5%) isolates. Resistance to kanamycin and ofloxacin was exhibited in 12 (12.9%) and 11 (11.8%) isolates, respectively, the former was mediated by aphA1-Iab. These data indicate that S. Infantis isolates producing ESBLs and AmpC β-lactamase have spread among broiler farms in Japan. These data demonstrated that the incidence of ESC-resistant S. Infantis carrying bla TEM-52 remarkably increased and S. Infantis strains harboring bla CMY-2, bla TEM-20, or bla CTX-M-25 genes emerged from broilers in Japan for the first time in 2007 and 2008.

Multi-Physics Analysis of the Fermilab Booster RF Cavity

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

Awida, M.; Reid, J.; Yakovlev, V.

After about 40 years of operation the RF accelerating cavities in Fermilab Booster need an upgrade to improve their reliability and to increase the repetition rate in order to support a future experimental program. An increase in the repetitio n rate from 7 to 15 Hz entails increasing the power dissipation in the RF cavities, their ferrite loaded tuners, and HOM dampers. The increased duty factor requires careful modelling for the RF heating effects in the cavity. A multi-physic analysis invest igating both the RF and thermal properties of Booster cavity under various operating conditions is presented in this paper.

Multi-Physics Analysis of the Fermilab Booster RF Cavity

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

Awida, M.; Reid, J.; Yakovlev, V.

After about 40 years of operation the RF accelerating cavities in Fermilab Booster need an upgrade to improve their reliability and to increase the repetition rate in order to support a future experimental program. An increase in the repetition rate from 7 to 15 Hz entails increasing the power dissipation in the RF cavities, their ferrite loaded tuners, and HOM dampers. The increased duty factor requires careful modelling for the RF heating effects in the cavity. A multi-physic analysis investigating both the RF and thermal properties of Booster cavity under various operating conditions is presented in this paper.

Modeling of the thermal comfort in vehicles using COMSOL multiphysics

NASA Astrophysics Data System (ADS)

Gavrila, Camelia; Vartires, Andreea

2016-12-01

The environmental quality in vehicles is a very important aspect of building design and evaluation of the influence of the thermal comfort inside the car for ensuring a safe trip. The aim of this paper is to modeling and simulating the thermal comfort inside the vehicles, using COMSOL Multiphysics program, for different ventilation grilles. The objective will be the implementing innovative air diffusion grilles in a prototype vehicle. The idea behind this goal is to introduce air diffusers with a special geometry allowing improving mixing between the hot or the cold conditioned air introduced in the cockpit and the ambient.

An Anisotropic Multiphysics Model for Intervertebral Disk

PubMed Central

Gao, Xin; Zhu, Qiaoqiao; Gu, Weiyong

2016-01-01

Intervertebral disk (IVD) is the largest avascular structure in human body, consisting of three types of charged hydrated soft tissues. Its mechanical behavior is nonlinear and anisotropic, due mainly to nonlinear interactions among different constituents within tissues. In this study, a more realistic anisotropic multiphysics model was developed based on the continuum mixture theory and employed to characterize the couplings of multiple physical fields in the IVD. Numerical simulations demonstrate that this model is capable of systematically predicting the mechanical and electrochemical signals within the disk under various loading conditions, which is essential in understanding the mechanobiology of IVD. PMID:27099402

Multiphysics processes in partially saturated fractured rock: Experiments and models from Yucca Mountain

NASA Astrophysics Data System (ADS)

Rutqvist, Jonny; Tsang, Chin-Fu

2012-09-01

The site investigations at Yucca Mountain, Nevada, have provided us with an outstanding data set, one that has significantly advanced our knowledge of multiphysics processes in partially saturated fractured geological media. Such advancement was made possible, foremost, by substantial investments in multiyear field experiments that enabled the study of thermally driven multiphysics and testing of numerical models at a large spatial scale. The development of coupled-process models within the project have resulted in a number of new, advanced multiphysics numerical models that are today applied over a wide range of geoscientific research and geoengineering applications. Using such models, the potential impact of thermal-hydrological-mechanical (THM) multiphysics processes over the long-term (e.g., 10,000 years) could be predicted and bounded with some degree of confidence. The fact that the rock mass at Yucca Mountain is intensively fractured enabled continuum models to be used, although discontinuum models were also applied and are better suited for analyzing some issues, especially those related to predictions of rockfall within open excavations. The work showed that in situ tests (rather than small-scale laboratory experiments alone) are essential for determining appropriate input parameters for multiphysics models of fractured rocks, especially related to parameters defining how permeability might evolve under changing stress and temperature. A significant laboratory test program at Yucca Mountain also made important contributions to the field of rock mechanics, showing a unique relation between porosity and mechanical properties, a time dependency of strength that is significant for long-term excavation stability, a decreasing rock strength with sample size using very large core experiments, and a strong temperature dependency of the thermal expansion coefficient for temperatures up to 200°C. The analysis of in situ heater experiments showed that fracture closure/opening caused by changes in normal stress across fractures was the dominant mechanism for thermally induced changes in intrinsic fracture permeability during rock mass heating/cooling and that fracture shear dilation appears to be less significant. Significant effort was devoted to predicting the long-term stability of underground excavations under (mechanical) strength degradation and seismic loading, perhaps one of the most challenging tasks within the project. We note that such long-term strength degradation is actually an example of a chemically mediated process governed by underlying (microscopic) stress corrosion and chemical diffusion processes. In the Yucca Mountain Project, such chemically mediated mechanical changes were considered implicitly through model calibrations against laboratory and in situ heater experiments at temperatures anticipated to be experienced by the rock. A possible future research direction would be to simulate such processes mechanistically in a complete coupled THMC framework where C denotes chemical processes.

Design and analysis of a magneto-rheological damper for an all terrain vehicle

NASA Astrophysics Data System (ADS)

Krishnan Unni, R.; Tamilarasan, N.

2018-02-01

A shock absorber design intended to replace the existing conventional shock absorber with a controllable system using a Magneto-rheological damper is introduced for an All Terrain Vehicle (ATV) that was designed for Baja SAE competitions. Suspensions are a vital part of an All Terrain Vehicles as it endures various surfaces and requires utmost attention while designing. COMSOL multi-physics software is used for applications that have coupled physics problems and is a unique tool that is used for the designing and analysis phase of the Magneto-rheological damper for the considered application and the model is optimized based on Taguchi using DOE software. The magneto-rheological damper is designed to maximize the damping force with the measured geometric constraints for the All Terrain Vehicle.

Phase transition behavior of (K,Na)NbO3-based high-performance lead-free piezoelectric ceramic composite with different phase compositions depending on Na fraction

NASA Astrophysics Data System (ADS)

Yamada, Hideto; Matsuoka, Takayuki; Yamazaki, Masato; Ohbayashi, Kazushige; Ida, Takashi

2018-01-01

The structures of the main (K1- x Na x )NbO3 perovskite in a high-performance lead-free piezoelectric ceramic composite (K1- x Na x )0.86Ca0.04Li0.02Nb0.85O3-δ-K0.85Ti0.85Nb1.15O5-BaZrO3-MgO-Fe2O3 (x = 0.52 and 0.70) with trace amounts of LiMgFeTiO4 inverse spinel and (Li,K)2(Mg,Fe,Ti,Nb)6O13 layered structure have been investigated by transmission electron microscopy (TEM) and synchrotron powder X-ray diffractometry (XRD) with varying temperatures. The bright-field TEM images have shown tetragonal 90°-domain contrasts at 80 and 40 °C, and the XRD profile has been simulated by adding an average structure of two differently oriented tetragonal structures bound by a 90°-domain wall for the x = 0.52 sample. Aggregates of tilted NbO6 nanodomains have been observed in a high-resolution TEM image, and the crossover of P4mm-Amm2 features from 60 to 20 °C and diffuse 2 × 2 × 2 superlattice reflections of the tilted NbO6 Imm2 structure have been observed in XRD data for the x = 0.70 sample.

Prevalence and Molecular Characterization of Plasmid-mediated Extended-Spectrum β-Lactamase Genes (balaTEM, blaCTX and blASHV) Among Urinary Escherichia coli Clinical Isolates in Mashhad, Iran

PubMed Central

Nakhaei Moghaddam, Mahboobeh; Forghanifard, Mohammad Mahdi; Moshrefi, Sheila

2012-01-01

Objective(s) Extended-spectrum beta-lactamase (ESBL) producing bacteria have an important role in nosocomial infections. Due to the limited availability of information about the molecular epidemiology of ESBL producing bacteria in Mashhad, we decided to investigate about TEM, CTX and SHV ESBLs among urinary Escherichia coli isolates in Mashhad, a city in northeast Iran. Materials and Methods One hundred and eleven clinical isolates of E. coli were diagnosed from hospitalized patients in 2009. After performing antibiogram and phenotypic confirmation test, polymerase chain reaction (PCR) was performed by blaTEM, blaSHV and blaCTX primers and restriction digestion was carried out using PstI and TaqI (Fermentas-Lithuania) for confirmation. Results ESBL producers of E. coli isolates were 33.3%. Among 37 ESBL-producing isolates, 35 (94.6%), 21 (56.8%) and 5 (13.5%) were shown to have blaCTX, blaTEM and blaSHV, genes respectively. Co-resistance to non-beta lactam antibiotics was observed more with ESBL producers (P < 0.05). Conclusion The results showed that the studied ESBL genes are found with high prevalence and among them blaCTX is more widespread in urine E. coli isolates in Mashhad. PMID:23493415

In vitro effects of 6 % hydroxyethyl starch 130/0.42 solution on feline whole blood coagulation measured by rotational thromboelastometry.

PubMed

Albrecht, Nathalie A; Howard, Judith; Kovacevic, Alan; Adamik, Katja N

2016-07-26

The artificial colloid, hydroxyethyl starch (HES), is recommended for intravascular volume expansion and colloid-osmotic pressure enhancement in dogs and cats. A well-known side effect of HES solutions in humans and dogs is coagulopathy. However, HES-associated coagulopathy has thus far not been investigated in cats. The goal of this study was to assess the in vitro effects of 6 % HES 130/0.42 on feline whole blood samples using rotational thromboelastometry (ROTEM). A further goal was to develop feline reference intervals for ROTEM at our institution. In this in vitro experimental study, blood samples of 24 adult healthy cats were collected by atraumatic jugular phlebotomy following intramuscular sedation. Baseline ROTEM analyses (using ex-tem, in-tem and fib-tem assays) were performed in duplicate. Additionally, ROTEM analyses were performed on blood samples after dilution with either Ringer's acetate (RA) or 6 % HES 130/0.42 (HES) in a 1:6 dilution (i.e. 1 part solution and 6 parts blood). Coefficients of variation of duplicate measures were below 12 % in all ex-tem assays, 3 of 4 in-tem assays but only 1 of 3 fib-tem assays. Reference intervals were similar albeit somewhat narrower than those previously published. Dilution with both solutions lead to significantly prolonged CT (in-tem), CFT (ex-tem and in-tem), and reduced MCF (ex-tem, in-tem, and fib-tem) and alpha (ex-tem and in-tem). Compared to RA, dilution with HES caused a significant prolongation of CT in fib-tem (P = 0.016), CFT in ex-tem (P = 0.017) and in-tem (P = 0.019), as well as a reduction in MCF in in-tem (P = 0.032) and fib-tem (P = 0.020), and alpha in ex-tem (P = 0.014). However, only a single parameter (CFT in ex-tem) was outside of the established reference interval after dilution with HES. In vitro hemodilution of feline blood with RA and HES causes a small but significant impairment of whole blood coagulation, with HES leading to a significantly greater effect on coagulation than RA. Further studies are necessary to evaluate the in vivo effects and the clinical significance of these findings.

Preliminary Results for the OECD/NEA Time Dependent Benchmark using Rattlesnake, Rattlesnake-IQS and TDKENO

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

DeHart, Mark D.; Mausolff, Zander; Weems, Zach

2016-08-01

One goal of the MAMMOTH M&S project is to validate the analysis capabilities within MAMMOTH. Historical data has shown limited value for validation of full three-dimensional (3D) multi-physics methods. Initial analysis considered the TREAT startup minimum critical core and one of the startup transient tests. At present, validation is focusing on measurements taken during the M8CAL test calibration series. These exercises will valuable in preliminary assessment of the ability of MAMMOTH to perform coupled multi-physics calculations; calculations performed to date are being used to validate the neutron transport solver Rattlesnake\\cite{Rattlesnake} and the fuels performance code BISON. Other validation projects outsidemore » of TREAT are available for single-physics benchmarking. Because the transient solution capability of Rattlesnake is one of the key attributes that makes it unique for TREAT transient simulations, validation of the transient solution of Rattlesnake using other time dependent kinetics benchmarks has considerable value. The Nuclear Energy Agency (NEA) of the Organization for Economic Cooperation and Development (OECD) has recently developed a computational benchmark for transient simulations. This benchmark considered both two-dimensional (2D) and 3D configurations for a total number of 26 different transients. All are negative reactivity insertions, typically returning to the critical state after some time.« less

National Epidemiologic Surveys of Enterobacter aerogenes in Belgian Hospitals from 1996 to 1998

PubMed Central

De Gheldre, Y.; Struelens, M. J.; Glupczynski, Y.; De Mol, P.; Maes, N.; Nonhoff, C.; Chetoui, H.; Sion, C.; Ronveaux, O.; Vaneechoutte, M.

2001-01-01

Two national surveys were conducted to describe the incidence and prevalence of Enterobacter aerogenes in 21 Belgian hospitals in 1996 and 1997 and to characterize the genotypic diversity and the antimicrobial resistance profiles of clinical strains of E. aerogenes isolated from hospitalized patients in Belgium in 1997 and 1998. Twenty-nine hospitals collected 10 isolates of E. aerogenes, which were typed by arbitrarily primed PCR (AP-PCR) using two primers and pulsed-field gel electrophoresis. MICs of 10 antimicrobial agents were determined by the agar dilution method. Beta-lactamases were detected by the double-disk diffusion test and characterized by isoelectric point. The median incidence of E. aerogenes colonization or infection increased from 3.3 per 1,000 admissions in 1996 to 4.2 per 1000 admissions in the first half of 1997 (P < 0.01). E. aerogenes strains (n = 260) clustered in 25 AP-PCR types. Two major types, BE1 and BE2, included 36 and 38% of strains and were found in 21 and 25 hospitals, respectively. The BE1 type was indistinguishable from a previously described epidemic strain in France. Half of the strains produced an extended-spectrum beta-lactamase, either TEM-24 (in 86% of the strains) or TEM-3 (in 14% of the strains). Over 75% of the isolates were resistant to ceftazidime, piperacillin-tazobactam, and ciprofloxacin. Over 90% of the strains were susceptible to cefepime, carbapenems, and aminoglycosides. In conclusion, these data suggest a nationwide dissemination of two epidemic multiresistant E. aerogenes strains in Belgian hospitals. TEM-24 beta-lactamase was frequently harbored by one of these epidemic strains, which appeared to be genotypically related to a TEM-24-producing epidemic strain from France, suggesting international dissemination. PMID:11230400

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

Guetaz, Laure; Lopez-Haro, M.; Escribano, S.

Investigation of membrane/electrode assembly (MEA) microstructure has become an essential step to optimize the MEA components and manufacturing processes or to study the MEA degradation. For these investigations, transmission electron microscopy (TEM) is a tool of choice as it provides direct imaging of the different components. TEM is then widely used for analyzing the catalyst nanoparticles and their carbon support. However, the ionomer inside the electrode is more difficult to be imaged. The difficulties come from the fact that the ionomer forms an ultrathin layer surrounding the carbon particles and in addition, these two components, having similar density, present nomore » difference in contrast. In this paper, we show how the recent progresses in TEM techniques as spherical aberration (Cs) corrected HRTEM, electron tomography and X-EDS elemental mapping provide new possibilities for imaging this ionomer network and consequently to study its degradation.« less

Fabrication of Miniature Thermoelectric Generators Using Bulk Materials

NASA Astrophysics Data System (ADS)

Joo, Sung-Jae; Ryu, Byungki; Min, Bok-Ki; Lee, Ji-Eun; Kim, Bong-Seo; Park, Su-Dong; Lee, Hee-Woong

2016-07-01

Miniature thermoelectric modules (TEMs) are required for micro power generation as well as local cooling, and they should have small size and high performance. However, conventional bulk TEMs generally have in-plane dimensions of a few centimeters, and empty space between the legs for electrical isolation makes efficient miniaturization difficult. In this study, a miniature TEM with footprint of about 0.35 cm2 and leg height of 0.97 mm was fabricated by reducing the dimensions of the legs and attaching them together to form a closely packed assembly, without using microelectromechanical processes. First, Bi0.4Sb1.6Te3 (BST) and Bi2Te2.7Se0.3 (BTS) ingots were made by ball milling and spark plasma sintering, and the ingots were cut into thin plates. These BST and BTS plates were then attached alternately using polyimide tapes, and the attached plates were sliced vertically to produce thin sheets. This process was repeated once again to make chessboard-like assemblies having 20 p- n pairs in an area of 0.35 cm2, and electrical contacts were formed by Ni sputtering and Ag paste coating. Finally, thermally conductive silicone pads (~500 μm) were attached on both sides of the assembly using electrically insulating interface thermal tapes (˜180 μm). The maximum output power ( P max) from the miniature module was about 28 μW and 2.0 mW for temperature difference (Δ T) of 5.6°C and 50.5°C, respectively. Reducing the contact resistance was considered to be the key to increase the output power.

Quantitative nanoscopy: Tackling sampling limitations in (S)TEM imaging of polymers and composites.

PubMed

Gnanasekaran, Karthikeyan; Snel, Roderick; de With, Gijsbertus; Friedrich, Heiner

2016-01-01

Sampling limitations in electron microscopy questions whether the analysis of a bulk material is representative, especially while analyzing hierarchical morphologies that extend over multiple length scales. We tackled this problem by automatically acquiring a large series of partially overlapping (S)TEM images with sufficient resolution, subsequently stitched together to generate a large-area map using an in-house developed acquisition toolbox (TU/e Acquisition ToolBox) and stitching module (TU/e Stitcher). In addition, we show that quantitative image analysis of the large scale maps provides representative information that can be related to the synthesis and process conditions of hierarchical materials, which moves electron microscopy analysis towards becoming a bulk characterization tool. We demonstrate the power of such an analysis by examining two different multi-phase materials that are structured over multiple length scales. Copyright © 2015 Elsevier B.V. All rights reserved.

Improved Gas Metal Arc Welding Multi-Physics Process Model and Its Application to MIL A46100 Armor-Grade Steel Butt-welds

DTIC Science & Technology

2014-01-01

expansion a 1/K 11e–6-12e–6 Specific heat C p J/kg K 440-520 Thermal conductivity k W/m K 35-50 Heat transfer coefficient h W/m2 K 45 Sink temperature...filler-metal consumable electrode to the weld; third, prediction of the temporal evolution and the spatial distribution of thermal and mechanical...the thermal The current issue and full text archive of this journal is available at www.emeraldinsight.com/1573-6105.htm Received 20 May 2013 Revised 13

A facile approach to prepare porous cup-stacked carbon nanotube with high performance in adsorption of methylene blue.

PubMed

Gong, Jiang; Liu, Jie; Jiang, Zhiwei; Wen, Xin; Mijowska, Ewa; Tang, Tao; Chen, Xuecheng

2015-05-01

Novel porous cup-stacked carbon nanotube (P-CSCNT) with special stacked morphology consisting of many truncated conical graphene layers was synthesized by KOH activating CSCNT from polypropylene. The morphology, microstructure, textural property, phase structure, surface element composition and thermal stability of P-CSCNT were investigated by field-emission scanning electron microscope, transmission electron microscope (TEM), high-resolution TEM, N2 sorption, X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy and thermal gravimetric analysis. A part of oblique graphitic layers were etched by KOH, and many holes with a diameter of several to a doze of nanometers connecting inner tube with outside were formed, which endowed P-CSCNT with high specific surface area (558.7 m(2)/g), large pore volume (1.993 cm(3)/g) and abundant surface functional groups. Subsequently, P-CSCNT was used for adsorption of methylene blue (MB) from wastewater. Langmuir model closely fitted the adsorption results, and the maximum adsorption capacity of P-CSCNT was as high as 319.1mg/g. This was ascribed to multiple adsorption mechanisms including pore filling, hydrogen bonding, π-π and electrostatic interactions. Pseudo second-order kinetic model was more valid to describe the adsorption behavior. Besides, P-CSCNT showed good recyclablity and reusability. These results demonstrated that P-CSCNT had potential application in wastewater treatment. Copyright © 2015 Elsevier Inc. All rights reserved.

Effect of Freeze Dryer Design on Heat Transfer Variability Investigated Using a 3D Mathematical Model.

PubMed

Scutellà, Bernadette; Bourlès, Erwan; Plana-Fattori, Artemio; Fonseca, Fernanda; Flick, Denis; Trelea, Ioan-Cristian; Passot, Stephanie

2018-04-14

During the freeze-drying process, vials located at the border of the shelf usually present higher heat flow rates that result in higher product temperatures than vials in the center. This phenomenon, referred to as edge vial effect, can lead to product quality variability within the same batch of vials and between batches at different scales. Our objective was to investigate the effect of various freeze dryer design features on heat transfer variability. A 3D mathematical model previously developed in COMSOL Multiphysics and experimentally validated was used to simulate the heat transfer of a set of vials located at the edge and in the center of the shelf. The design features considered included the vials loading configurations, the thermal characteristics, and some relevant dimensions of the drying chamber geometry. The presence of the rail in the loading configuration and the value of the shelf emissivity strongly impacted the heat flow rates received by the vials. Conversely, the heat transfer was not significantly influenced by modifications of the thermal conductivity of the rail, the emissivity of the walls, or the geometry of the drying chamber. The model developed turned out to be a powerful tool for cycle development and scale-up. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Self-Assembly of Large-Scale Shape-Controlled DNA Nano-Structures

DTIC Science & Technology

2014-12-16

discharged carbon-coated TEM grids for 4 min and then stained for 1 min using a 2% aqueous uranyl formate solution containing 25 mM NaOH. Imaging was...temperature for 3 h in the dark. TEM imaging. For imaging, 2,5 pi annealed sample was adsorbed for 2 min onto glow- discharged , carbon-coated TEM grids...Imaging. For ’I’EM imaging, a 3.S //L sample (l—5 nM) was adsorbed onto glow discharged carbon-coated TEM grids for 4 min and then stained for 1 min or a

Microstructural, mechanical and electrochemical behaviour of a 7017 Al–Zn–Mg alloy of different tempers

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

Rout, Prasanta Kumar, E-mail: prasantonnet55@yahoo.com; Ghosh, M.M.; Ghosh, K.S., E-mail: ksghosh2001@yahoo.co.uk

2015-06-15

The aim of the investigation is to assess the microstructural features and associated physical, mechanical and electrochemical properties of a 7017 Al–Zn–Mg alloy of various tempers. A 7017 Al–Zn–Mg alloy was subjected to different ageing schedules to produce under-(T4), peak-(T6), over-(T7) and highly over-aged tempers. Optical microscopy, hardness measurement, electrical conductivity measurement, tensile testing and SEM fractographs, differential scanning calorimetry (DSC), transmission electron microscopy (TEM), and electrochemical polarization studies have been used to characterize the alloy tempers. Hardness measurement and tensile testing showed the characteristic age hardening phenomenon of aluminium alloys. Optical and TEM micrographs have revealed the variation inmore » size of matrix strengthening η′ (MgZn{sub 2}) and also the size and distribution of grain boundary η (MgZn{sub 2}) precipitate with ageing time. DSC thermograms exhibiting exothermic and endothermic peaks indicated the characteristic solid state reaction sequence of the 7017 alloy. Potentiodynamic polarization study of the 7017 alloy of various tempers in 3.5 wt.% NaCl solution at near neutral pH showed typical active metal dissolution behaviour, but at pH 12 an active–passive–transpassive transition behaviour has been observed. - Graphical abstract: TEM micrograph of the 7017 aluminium alloy of various tempers (a, b) under aged (T4), (c, d) peak aged (T6), (e, f) over aged (T7) and (g, h) highly over-aged. Display Omitted - Highlights: • 7017 Al-Zn-Mg alloy was subjected to different artificial ageing treatments. • Characterization of 7017 alloy tempers by hardness, tensile, DSC, TEM and electrochemical behaviour. • Structure-properties relationship of the 7017 Al-Zn-Mg alloy of various tempers.« less

Measurements of Ocean Surface Turbulence and Wave-Turbulence Interactions (PREPRINT)

DTIC Science & Technology

2008-02-19

measurements described here were obtained from a Þeld experiment conducted from R /P 1In the case of gas transfer, these molecular layers can also be at the...ßux data. The eddy covariance sys- tem included a three-axis anemometer/thermometer (Campbell CSAT 3), an open path infrared hygrometer/CO2 sensor...boom of R /P FLIP approximately 18 m from the hull at an elevation of 13 m above mean sea level (MSL). The infrared optical system was set-up with the

Formation of Ohmic contact to semipolar (11-22) p-GaN by electrical breakdown method

NASA Astrophysics Data System (ADS)

Jeong, Seonghoon; Lee, Sung-Nam; Kim, Hyunsoo

2018-01-01

The electrical breakdown (EBD) method was used to obtain Ohmic contact to semipolar (11-20) p-GaN surfaces using the Ti/SiO2/ p-GaN structure. The EBD method by which the electrical stress voltage was increased up to 70 V with a compliance current of 30 mA resulted in an Ohmic contact with a specific contact resistance of 3.1×10-3 Ωcm2. The transmission electron microscope (TEM) analysis revealed that the oxygen was slightly out-diffused from SiO2 layer toward Ti surface and the oxidation occurred at the Ti surface, while the GaN remained unchanged.

Antibacterial activity and morphological changes of Pseudomonas aeruginosa cells after exposure to Vernonia cinerea extract.

PubMed

Latha, Lachimanan Yoga; Darah, Ibrahim; Kassim, Mohd Jain Noordin Mohd; Sasidharan, Sreenivasan

2010-08-01

The antibacterial activity of Vernonia cinerea (L.) extract was investigated using the broth dilution method. The extract showed a favorable antimicrobial activity against Pseudomonas aeruginosa with a minimum inhibition concentration (MIC) value of 3.13 mg/mL. V. cinerea extract at (1/2), 1, or 2 times the MIC significantly inhibited bacterial growth with a noticeable drop in optical density (OD) of the bacterial culture, thus confirming the antibacterial activity of the extract on P. aeruginosa. Imaging using scanning (SEM) and transmission (TEM) electron microscopy was done to determine the major alterations in the microstructure of the extract-treated P. aeruginosa. The main abnormalities noted via SEM and TEM studies were the alteration in morphology of the bacterial cells. The main reason for this destruction was the severe alterations of the cell wall with the formation of holes, invaginations, and morphological disorganization caused by the extract. The authors conclude that the extract may be used as a candidate for the development of antimicrobial agents.

The role of yttrium and titanium during the development of ODS ferritic steels obtained through the STARS route: TEM and XAS study

NASA Astrophysics Data System (ADS)

Ordás, Nerea; Gil, Emma; Cintins, Arturs; de Castro, Vanessa; Leguey, Teresa; Iturriza, Iñigo; Purans, Juris; Anspoks, Andris; Kuzmin, Alexei; Kalinko, Alexandr

2018-06-01

Oxide Dispersion Strengthened Ferritic Steels (ODS FS) are candidate materials for structural components in future fusion reactors. Their high strength and creep resistance at elevated temperatures and their good resistance to neutron radiation damage is obtained through extremely fine microstructures containing a high density of nanometric precipitates, generally yttrium and titanium oxides. This work shows transmission electron microscopy (TEM) and extended X-ray absorption fine structure (EXAFS) characterization of Fe-14Cr-2W-0.3Ti-0.24Y ODS FS obtained by the STARS route (Surface Treatment of gas Atomized powder followed by Reactive Synthesis), an alternative method to obtain ODS alloys that avoids the mechanical alloying to introduce Y2O3 powder particles. In this route, FS powders already containing Ti and Y, precursors of the nanometric oxides, are obtained by gas atomization. Then, a metastable Cr- and Fe-rich oxide layer is formed on the surface of the powder particles. During consolidation by HIP at elevated temperatures, and post-HIP heat treatments above the HIP temperature, this oxide layer at Prior Particle Boundaries (PPBs) dissociates, the oxygen diffuses, and Y-Ti-O nano-oxides precipitate in the ferritic matrix. TEM characterization combined with XAFS and XANES analyses have proven to be suitable tools to follow the evolution of the nature of the different oxides present in the material during the whole processing route and select appropriate HIP and post-HIP parameters to promote profuse and fine Y-Ti-O nanometric precipitates.

In Situ Environmental TEM in Imaging Gas and Liquid Phase Chemical Reactions for Materials Research.

PubMed

Wu, Jianbo; Shan, Hao; Chen, Wenlong; Gu, Xin; Tao, Peng; Song, Chengyi; Shang, Wen; Deng, Tao

2016-11-01

Gas and liquid phase chemical reactions cover a broad range of research areas in materials science and engineering, including the synthesis of nanomaterials and application of nanomaterials, for example, in the areas of sensing, energy storage and conversion, catalysis, and bio-related applications. Environmental transmission electron microscopy (ETEM) provides a unique opportunity for monitoring gas and liquid phase reactions because it enables the observation of those reactions at the ultra-high spatial resolution, which is not achievable through other techniques. Here, the fundamental science and technology developments of gas and liquid phase TEM that facilitate the mechanistic study of the gas and liquid phase chemical reactions are discussed. Combined with other characterization tools integrated in TEM, unprecedented material behaviors and reaction mechanisms are observed through the use of the in situ gas and liquid phase TEM. These observations and also the recent applications in this emerging area are described. The current challenges in the imaging process are also discussed, including the imaging speed, imaging resolution, and data management. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thinning of Large Biological Cells for Cryo-TEM Characterization by Cryo-FIB Milling

PubMed Central

Strunk, Korrinn M.; Ke, Danxia; Gray, Jennifer L.; Zhang, Peijun

2013-01-01

SUMMARY Focused ion beam milling at cryogenic temperatures (cryo-FIB) is a valuable tool that can be used to thin vitreous biological specimens for subsequent imaging and analysis in a cryo-transmission electron microscope (cryo-TEM) in their frozen-hydrated state. This technique offers the potential benefit of eliminating the mechanical artifacts that are typically found with cryo-ultramicrotomy. However, due to the additional complexity in transferring samples in and out of the FIB, contamination and devitrification of the amorphous ice is commonly encountered. In order to address these problems, we have designed a new sample cryo-shuttle that specifically accepts Polara TEM cartridges directly in order to simplify the transfer process between the FIB and TEM. We used the quality of the ice in the sample as an indicator to test various parameters used the process, and demonstrated with successful milling of large mammalian cells. By comparing the results from larger HeLa cells to those from E. coli cells, we discuss some of the artifacts and challenges we have encountered using this technique. PMID:22906009

A multi-physics analysis for the actuation of the SSS in opal reactor

NASA Astrophysics Data System (ADS)

Ferraro, Diego; Alberto, Patricio; Villarino, Eduardo; Doval, Alicia

2018-05-01

OPAL is a 20 MWth multi-purpose open-pool type Research Reactor located at Lucas Heights, Australia. It was designed, built and commissioned by INVAP between 2000 and 2006 and it has been operated by the Australia Nuclear Science and Technology Organization (ANSTO) showing a very good overall performance. On November 2016, OPAL reached 10 years of continuous operation, becoming one of the most reliable and available in its kind worldwide, with an unbeaten record of being fully operational 307 days a year. One of the enhanced safety features present in this state-of-art reactor is the availability of an independent, diverse and redundant Second Shutdown System (SSS), which consists in the drainage of the heavy water reflector contained in the Reflector Vessel. As far as high quality experimental data is available from reactor commissioning and operation stages and even from early component design validation stages, several models both regarding neutronic and thermo-hydraulic approaches have been developed during recent years using advanced calculations tools and the novel capabilities to couple them. These advanced models were developed in order to assess the capability of such codes to simulate and predict complex behaviours and develop highly detail analysis. In this framework, INVAP developed a three-dimensional CFD model that represents the detailed hydraulic behaviour of the Second Shutdown System for an actuation scenario, where the heavy water drainage 3D temporal profiles inside the Reflector Vessel can be obtained. This model was validated, comparing the computational results with experimental measurements performed in a real-size physical model built by INVAP during early OPAL design engineering stages. Furthermore, detailed 3D Serpent Monte Carlo models are also available, which have been already validated with experimental data from reactor commissioning and operating cycles. In the present work the neutronic and thermohydraulic models, available for OPAL reactor, are coupled by means of a shared unstructured mesh geometry definition of relevant zones inside the Reflector Vessel. Several scenarios, both regarding coupled and uncoupled neutronic & thermohydraulic behavior, are presented and analyzed, showing the capabilities to develop and manage advanced modelling that allows to predict multi-physics variables observed when an in-depth performance analysis of a Research Reactor like OPAL is carried out.

Whole-Genome Sequence Analysis of Antimicrobial Resistance Genes in Streptococcus uberis and Streptococcus dysgalactiae Isolates from Canadian Dairy Herds

PubMed Central

Vélez, Julián Reyes; Cameron, Marguerite; Rodríguez-Lecompte, Juan Carlos; Xia, Fangfang; Heider, Luke C.; Saab, Matthew; McClure, J. Trenton; Sánchez, Javier

2017-01-01

The objectives of this study are to determine the occurrence of antimicrobial resistance (AMR) genes using whole-genome sequence (WGS) of Streptococcus uberis (S. uberis) and Streptococcus dysgalactiae (S. dysgalactiae) isolates, recovered from dairy cows in the Canadian Maritime Provinces. A secondary objective included the exploration of the association between phenotypic AMR and the genomic characteristics (genome size, guanine–cytosine content, and occurrence of unique gene sequences). Initially, 91 isolates were sequenced, and of these isolates, 89 were assembled. Furthermore, 16 isolates were excluded due to larger than expected genomic sizes (>2.3 bp × 1,000 bp). In the final analysis, 73 were used with complete WGS and minimum inhibitory concentration records, which were part of the previous phenotypic AMR study, representing 18 dairy herds from the Maritime region of Canada (1). A total of 23 unique AMR gene sequences were found in the bacterial genomes, with a mean number of 8.1 (minimum: 5; maximum: 13) per genome. Overall, there were 10 AMR genes [ANT(6), TEM-127, TEM-163, TEM-89, TEM-95, Linb, Lnub, Ermb, Ermc, and TetS] present only in S. uberis genomes and 2 genes unique (EF-TU and TEM-71) to the S. dysgalactiae genomes; 11 AMR genes [APH(3′), TEM-1, TEM-136, TEM-157, TEM-47, TetM, bl2b, gyrA, parE, phoP, and rpoB] were found in both bacterial species. Two-way tabulations showed association between the phenotypic susceptibility to lincosamides and the presence of linB (P = 0.002) and lnuB (P < 0.001) genes and the between the presence of tetM (P = 0.015) and tetS (P = 0.064) genes and phenotypic resistance to tetracyclines only for the S. uberis isolates. The logistic model showed that the odds of resistance (to any of the phenotypically tested antimicrobials) was 4.35 times higher when there were >11 AMR genes present in the genome, compared with <7 AMR genes (P < 0.001). The odds of resistance was lower for S. dysgalactiae than S. uberis (P = 0.031). When the within-herd somatic cell count was >250,000 cells/mL, a trend toward higher odds of resistance compared with the baseline category of <150,000 cells/mL was observed. When the isolate corresponded to a post-mastitis sample, there were lower odds of resistance when compared with non-clinical isolates (P = 0.01). The results of this study showed the strength of associations between phenotypic AMR resistance of both mastitis pathogens and their genotypic resistome and other epidemiological characteristics. PMID:28589129

Myosin-binding Protein C Compound Heterozygous Variant Effect on the Phenotypic Expression of Hypertrophic Cardiomyopathy.

PubMed

Rafael, Julianny Freitas; Cruz, Fernando Eugênio Dos Santos; Carvalho, Antônio Carlos Campos de; Gottlieb, Ilan; Cazelli, José Guilherme; Siciliano, Ana Paula; Dias, Glauber Monteiro

2017-04-01

Hypertrophic cardiomyopathy (HCM) is an autosomal dominant genetic disease caused by mutations in genes encoding sarcomere proteins. It is the major cause of sudden cardiac death in young high-level athletes. Studies have demonstrated a poorer prognosis when associated with specific mutations. The association between HCM genotype and phenotype has been the subject of several studies since the discovery of the genetic nature of the disease. This study shows the effect of a MYBPC3 compound variant on the phenotypic HCM expression. A family in which a young man had a clinical diagnosis of HCM underwent clinical and genetic investigations. The coding regions of the MYH7, MYBPC3 and TNNT2 genes were sequenced and analyzed. The proband present a malignant manifestation of the disease, and is the only one to express HCM in his family. The genetic analysis through direct sequencing of the three main genes related to this disease identified a compound heterozygous variant (p.E542Q and p.D610H) in MYBPC3. A family analysis indicated that the p.E542Q and p.D610H alleles have paternal and maternal origin, respectively. No family member carrier of one of the variant alleles manifested clinical signs of HCM. We suggest that the MYBPC3-biallelic heterozygous expression of p.E542Q and p.D610H may cause the severe disease phenotype seen in the proband. Resumo A cardiomiopatia hipertrófica (CMH) é uma doença autossômica dominante causada por mutações em genes que codificam as proteínas dos sarcômeros. É a principal causa de morte súbita cardíaca em atletas jovens de alto nível. Estudos têm demonstrado um pior prognóstico associado a mutações específicas. A associação entre genótipo e fenótipo em CMH tem sido objeto de diversos estudos desde a descoberta da origem genética dessa doença. Este trabalho apresenta o efeito de uma mutação composta em MYBPC3 na expressão fenotípica da CMH. Uma família na qual um jovem tem o diagnóstico clínico de CMH foi submetida à investigação clínica e genética. As regiões codificadoras dos genes MYH7, MYBPC3 e TNNT2 foram sequenciadas e analisadas. O probando apresenta uma manifestação maligna da doença e é o único em sua família a desenvolver CMH. A análise genética pelo sequenciamento direto dos três principais genes relacionados à essa doença identificou uma variante em heterozigose composta (p.E542Q e p.D610H) em MYBPC3. A análise da família mostrou que os alelos p.E542Q e p.D610H tem origem paterna e materna, respectivamente. Nenhum familiar portador de um dos alelos variantes manifestou sinais clínicos de CMH. Sugerimos que a expressão heterozigótica bialélica de p.E542Q e p.D610H pode ser responsável pelo fenótipo severo da doença encontrada no probando.

A Hybrid Maximum Power Point Tracking Method for Automobile Exhaust Thermoelectric Generator

NASA Astrophysics Data System (ADS)

Quan, Rui; Zhou, Wei; Yang, Guangyou; Quan, Shuhai

2017-05-01

To make full use of the maximum output power of automobile exhaust thermoelectric generator (AETEG) based on Bi2Te3 thermoelectric modules (TEMs), taking into account the advantages and disadvantages of existing maximum power point tracking methods, and according to the output characteristics of TEMs, a hybrid maximum power point tracking method combining perturb and observe (P&O) algorithm, quadratic interpolation and constant voltage tracking method was put forward in this paper. Firstly, it searched the maximum power point with P&O algorithms and a quadratic interpolation method, then, it forced the AETEG to work at its maximum power point with constant voltage tracking. A synchronous buck converter and controller were implemented in the electric bus of the AETEG applied in a military sports utility vehicle, and the whole system was modeled and simulated with a MATLAB/Simulink environment. Simulation results demonstrate that the maximum output power of the AETEG based on the proposed hybrid method is increased by about 3.0% and 3.7% compared with that using only the P&O algorithm and the quadratic interpolation method, respectively. The shorter tracking time is only 1.4 s, which is reduced by half compared with that of the P&O algorithm and quadratic interpolation method, respectively. The experimental results demonstrate that the tracked maximum power is approximately equal to the real value using the proposed hybrid method,and it can preferentially deal with the voltage fluctuation of the AETEG with only P&O algorithm, and resolve the issue that its working point can barely be adjusted only with constant voltage tracking when the operation conditions change.

Expression and isotopic labelling of the potassium channel blocker ShK toxin as a thioredoxin fusion protein in bacteria.

PubMed

Chang, Shih Chieh; Galea, Charles A; Leung, Eleanor W W; Tajhya, Rajeev B; Beeton, Christine; Pennington, Michael W; Norton, Raymond S

2012-10-01

The polypeptide toxin ShK is a potent blocker of Kv1.3 potassium channels, which play a crucial role in the activation of human effector memory T-cells (T(EM)). Selective blockers constitute valuable therapeutic leads for the treatment of autoimmune diseases mediated by T(EM) cells, such as multiple sclerosis, rheumatoid arthritis, and type-1 diabetes. We have established a recombinant peptide expression system in order to generate isotopically-labelled ShK and various ShK analogues for in-depth biophysical and pharmacological studies. ShK was expressed as a thioredoxin fusion protein in Escherichia coli BL21 (DE3) cells and purified initially by Ni²⁺ iminodiacetic acid affinity chromatography. The fusion protein was cleaved with enterokinase and purified to homogeneity by reverse-phase HPLC. NMR spectra of ¹⁵N-labelled ShK were similar to those reported previously for the unlabelled synthetic peptide, confirming that recombinant ShK was correctly folded. Recombinant ShK blocked Kv1.3 channels with a K(d) of 25 pM and inhibited the proliferation of human and rat T lymphocytes with a preference for T(EM) cells, with similar potency to synthetic ShK in all assays. This expression system also enables the efficient production of ¹⁵N-labelled ShK for NMR studies of peptide dynamics and of the interaction of ShK with Kv1.3 channels. Copyright © 2012 Elsevier Ltd. All rights reserved.

Anatomy of emotion: a 3D study of facial mimicry.

PubMed

Ferrario, V F; Sforza, C

2007-01-01

Alterations in facial motion severely impair the quality of life and social interaction of patients, and an objective grading of facial function is necessary. A method for the non-invasive detection of 3D facial movements was developed. Sequences of six standardized facial movements (maximum smile; free smile; surprise with closed mouth; surprise with open mouth; right side eye closure; left side eye closure) were recorded in 20 healthy young adults (10 men, 10 women) using an optoelectronic motion analyzer. For each subject, 21 cutaneous landmarks were identified by 2-mm reflective markers, and their 3D movements during each facial animation were computed. Three repetitions of each expression were recorded (within-session error), and four separate sessions were used (between-session error). To assess the within-session error, the technical error of the measurement (random error, TEM) was computed separately for each sex, movement and landmark. To assess the between-session repeatability, the standard deviation among the mean displacements of each landmark (four independent sessions) was computed for each movement. TEM for the single landmarks ranged between 0.3 and 9.42 mm (intrasession error). The sex- and movement-related differences were statistically significant (two-way analysis of variance, p=0.003 for sex comparison, p=0.009 for the six movements, p<0.001 for the sex x movement interaction). Among four different (independent) sessions, the left eye closure had the worst repeatability, the right eye closure had the best one; the differences among various movements were statistically significant (one-way analysis of variance, p=0.041). In conclusion, the current protocol demonstrated a sufficient repeatability for a future clinical application. Great care should be taken to assure a consistent marker positioning in all the subjects.

Binding of TEM-1 beta-lactamase to beta-lactam antibiotics by frontal affinity chromatography.

PubMed

Chen, Xiu; Li, Yuhua; Zhang, Yan; Yang, Jianting; Bian, Liujiao

2017-04-15

TEM-1 beta-lactamases can accurately catalyze the hydrolysis of the beta-lactam rings in beta-lactam antibiotics, which make beta-lactam antibiotics lose its activity, and the prerequisite for the hydrolysis procedure in the binding interaction of TEM-1 beta-lactamases with beta-lactam antibiotics is the beta-lactam rings in beta-lactam antibiotics. Therefore, the binding of TEM-1 beta-lactamase to three beta-lactam antibiotics including penicillin G, cefalexin as well as cefoxitin was explored here by frontal affinity chromatography in combination with fluorescence spectra, adsorption and thermodynamic data in the temperature range of 278-288K under simulated physiological conditions. The results showed that all the binding of TEM-1 beta-lactamase to the three antibiotics were spontaneously exothermic processes with the binding constants of 8.718×10 3 , 6.624×10 3 and 2.244×10 3 (mol/L), respectively at 288K. All the TEM-1 beta-lactamases were immobilized on the surface of the stationary phase in the mode of monolayer and there existed only one type of binding sites on them. Each TEM-1 beta-lactamase bound with only one beta-lactam antibiotic and hydrogen bond interaction and Van der Waals force were the main forces between them. This work provided an insight into the binding interactions between TEM-1 beta-lactamases and beta-lactam antibiotics, which may be beneficial for the designing and developing of new substrates resistant to TEM-1 beta-lactamases. Copyright © 2017 Elsevier B.V. All rights reserved.

Making it Easy to Construct Accurate Hydrological Models that Exploit High Performance Computers (Invited)

NASA Astrophysics Data System (ADS)

Kees, C. E.; Farthing, M. W.; Terrel, A.; Certik, O.; Seljebotn, D.

2013-12-01

This presentation will focus on two barriers to progress in the hydrological modeling community, and research and development conducted to lessen or eliminate them. The first is a barrier to sharing hydrological models among specialized scientists that is caused by intertwining the implementation of numerical methods with the implementation of abstract numerical modeling information. In the Proteus toolkit for computational methods and simulation, we have decoupled these two important parts of computational model through separate "physics" and "numerics" interfaces. More recently we have begun developing the Strong Form Language for easy and direct representation of the mathematical model formulation in a domain specific language embedded in Python. The second major barrier is sharing ANY scientific software tools that have complex library or module dependencies, as most parallel, multi-physics hydrological models must have. In this setting, users and developer are dependent on an entire distribution, possibly depending on multiple compilers and special instructions depending on the environment of the target machine. To solve these problem we have developed, hashdist, a stateless package management tool and a resulting portable, open source scientific software distribution.

Development of Modeling Capabilities for Launch Pad Acoustics and Ignition Transient Environment Prediction

NASA Technical Reports Server (NTRS)

West, Jeff; Strutzenberg, Louise L.; Putnam, Gabriel C.; Liever, Peter A.; Williams, Brandon R.

2012-01-01

This paper presents development efforts to establish modeling capabilities for launch vehicle liftoff acoustics and ignition transient environment predictions. Peak acoustic loads experienced by the launch vehicle occur during liftoff with strong interaction between the vehicle and the launch facility. Acoustic prediction engineering tools based on empirical models are of limited value in efforts to proactively design and optimize launch vehicles and launch facility configurations for liftoff acoustics. Modeling approaches are needed that capture the important details of the plume flow environment including the ignition transient, identify the noise generation sources, and allow assessment of the effects of launch pad geometric details and acoustic mitigation measures such as water injection. This paper presents a status of the CFD tools developed by the MSFC Fluid Dynamics Branch featuring advanced multi-physics modeling capabilities developed towards this goal. Validation and application examples are presented along with an overview of application in the prediction of liftoff environments and the design of targeted mitigation measures such as launch pad configuration and sound suppression water placement.

AEROELASTIC SIMULATION TOOL FOR INFLATABLE BALLUTE AEROCAPTURE

NASA Technical Reports Server (NTRS)

Liever, P. A.; Sheta, E. F.; Habchi, S. D.

2006-01-01

A multidisciplinary analysis tool is under development for predicting the impact of aeroelastic effects on the functionality of inflatable ballute aeroassist vehicles in both the continuum and rarefied flow regimes. High-fidelity modules for continuum and rarefied aerodynamics, structural dynamics, heat transfer, and computational grid deformation are coupled in an integrated multi-physics, multi-disciplinary computing environment. This flexible and extensible approach allows the integration of state-of-the-art, stand-alone NASA and industry leading continuum and rarefied flow solvers and structural analysis codes into a computing environment in which the modules can run concurrently with synchronized data transfer. Coupled fluid-structure continuum flow demonstrations were conducted on a clamped ballute configuration. The feasibility of implementing a DSMC flow solver in the simulation framework was demonstrated, and loosely coupled rarefied flow aeroelastic demonstrations were performed. A NASA and industry technology survey identified CFD, DSMC and structural analysis codes capable of modeling non-linear shape and material response of thin-film inflated aeroshells. The simulation technology will find direct and immediate applications with NASA and industry in ongoing aerocapture technology development programs.

On-Line Monitoring the Growth of E. coli or HeLa Cells Using an Annular Microelectrode Piezoelectric Biosensor.

PubMed

Tong, Feifei; Lian, Yan; Han, Junliang

2016-12-18

Biological information is obtained from the interaction between the series detection electrode and the organism or the physical field of biological cultures in the non-mass responsive piezoelectric biosensor. Therefore, electric parameter of the electrode will affect the biosensor signal. The electric field distribution of the microelectrode used in this study was simulated using the COMSOL Multiphysics analytical tool. This process showed that the electric field spatial distribution is affected by the width of the electrode finger or the space between the electrodes. In addition, the characteristic response of the piezoelectric sensor constructed serially with an annular microelectrode was tested and applied for the continuous detection of Escherichia coli culture or HeLa cell culture. Results indicated that the piezoelectric biosensor with an annular microelectrode meets the requirements for the real-time detection of E. coli or HeLa cells in culture. Moreover, this kind of piezoelectric biosensor is more sensitive than the sensor with an interdigital microelectrode. Thus, the piezoelectric biosensor acts as an effective analysis tool for acquiring online cell or microbial culture information.

Spanish multicenter study of the epidemiology and mechanisms of amoxicillin-clavulanate resistance in Escherichia coli.

PubMed

Ortega, Adriana; Oteo, Jesús; Aranzamendi-Zaldumbide, Maitane; Bartolomé, Rosa M; Bou, Germán; Cercenado, Emilia; Conejo, M Carmen; González-López, Juan José; Marín, Mercedes; Martínez-Martínez, Luis; Merino, María; Navarro, Ferran; Oliver, Antonio; Pascual, Alvaro; Rivera, Alba; Rodríguez-Baño, Jesús; Weber, Irene; Aracil, Belén; Campos, José

2012-07-01

We conducted a prospective multicenter study in Spain to characterize the mechanisms of resistance to amoxicillin-clavulanate (AMC) in Escherichia coli. Up to 44 AMC-resistant E. coli isolates (MIC ≥ 32/16 μg/ml) were collected at each of the seven participant hospitals. Resistance mechanisms were characterized by PCR and sequencing. Molecular epidemiology was studied by pulsed-field gel electrophoresis (PFGE) and by multilocus sequence typing. Overall AMC resistance was 9.3%. The resistance mechanisms detected in the 257 AMC-resistant isolates were OXA-1 production (26.1%), hyperproduction of penicillinase (22.6%), production of plasmidic AmpC (19.5%), hyperproduction of chromosomic AmpC (18.3%), and production of inhibitor-resistant TEM (IRT) (17.5%). The IRTs identified were TEM-40 (33.3%), TEM-30 (28.9%), TEM-33 (11.1%), TEM-32 (4.4%), TEM-34 (4.4%), TEM-35 (2.2%), TEM-54 (2.2%), TEM-76 (2.2%), TEM-79 (2.2%), and the new TEM-185 (8.8%). By PFGE, a high degree of genetic diversity was observed although two well-defined clusters were detected in the OXA-1-producing isolates: the C1 cluster consisting of 19 phylogroup A/sequence type 88 [ST88] isolates and the C2 cluster consisting of 19 phylogroup B2/ST131 isolates (16 of them producing CTX-M-15). Each of the clusters was detected in six different hospitals. In total, 21.8% of the isolates were serotype O25b/phylogroup B2 (O25b/B2). AMC resistance in E. coli is widespread in Spain at the hospital and community levels. A high prevalence of OXA-1 was found. Although resistant isolates were genetically diverse, clonality was linked to OXA-1-producing isolates of the STs 88 and 131. Dissemination of IRTs was frequent, and the epidemic O25b/B2/ST131 clone carried many different mechanisms of AMC resistance.

Advanced laser modeling with BLAZE multiphysics

NASA Astrophysics Data System (ADS)

Palla, Andrew D.; Carroll, David L.; Gray, Michael I.; Suzuki, Lui

2017-01-01

The BLAZE Multiphysics™ software simulation suite was specifically developed to model highly complex multiphysical systems in a computationally efficient and highly scalable manner. These capabilities are of particular use when applied to the complexities associated with high energy laser systems that combine subsonic/transonic/supersonic fluid dynamics, chemically reacting flows, laser electronics, heat transfer, optical physics, and in some cases plasma discharges. In this paper we present detailed cw and pulsed gas laser calculations using the BLAZE model with comparisons to data. Simulations of DPAL, XPAL, ElectricOIL (EOIL), and the optically pumped rare gas laser were found to be in good agreement with experimental data.

Achieving bifunctional cloak via combination of passive and active schemes

NASA Astrophysics Data System (ADS)

Lan, Chuwen; Bi, Ke; Gao, Zehua; Li, Bo; Zhou, Ji

2016-11-01

In this study, a simple and delicate approach to realizing manipulation of multi-physics field simultaneously through combination of passive and active schemes is proposed. In the design, one physical field is manipulated with passive scheme while the other with active scheme. As a proof of this concept, a bifunctional device is designed and fabricated to behave as electric and thermal invisibility cloak simultaneously. It is found that the experimental results are consistent with the simulated ones well, confirming the feasibility of our method. Furthermore, the proposed method could also be extended to other multi-physics fields, which might lead to potential applications in thermal, electric, and acoustic areas.

Interface COMSOL-PHREEQC (iCP), an efficient numerical framework for the solution of coupled multiphysics and geochemistry

NASA Astrophysics Data System (ADS)

Nardi, Albert; Idiart, Andrés; Trinchero, Paolo; de Vries, Luis Manuel; Molinero, Jorge

2014-08-01

This paper presents the development, verification and application of an efficient interface, denoted as iCP, which couples two standalone simulation programs: the general purpose Finite Element framework COMSOL Multiphysics® and the geochemical simulator PHREEQC. The main goal of the interface is to maximize the synergies between the aforementioned codes, providing a numerical platform that can efficiently simulate a wide number of multiphysics problems coupled with geochemistry. iCP is written in Java and uses the IPhreeqc C++ dynamic library and the COMSOL Java-API. Given the large computational requirements of the aforementioned coupled models, special emphasis has been placed on numerical robustness and efficiency. To this end, the geochemical reactions are solved in parallel by balancing the computational load over multiple threads. First, a benchmark exercise is used to test the reliability of iCP regarding flow and reactive transport. Then, a large scale thermo-hydro-chemical (THC) problem is solved to show the code capabilities. The results of the verification exercise are successfully compared with those obtained using PHREEQC and the application case demonstrates the scalability of a large scale model, at least up to 32 threads.

Pure wurtzite GaP nanowires grown on zincblende GaP substrates by selective area vapor liquid solid epitaxy

NASA Astrophysics Data System (ADS)

Halder, Nripendra N.; Kelrich, Alexander; Cohen, Shimon; Ritter, Dan

2017-11-01

We report on the growth of single phase wurtzite (WZ) GaP nanowires (NWs) on GaP (111) B substrates by metal organic molecular beam epitaxy following the selective area vapor-liquid-solid (SA-VLS) approach. During the SA-VLS process, precursors are supplied directly to the NW sidewalls, and the short diffusion length of gallium (or its precursors) does not significantly limit axial growth. Transmission electron microscopy (TEM) images reveal that no stacking faults are present along a 600 nm long NW. The lattice constants of the pure WZ GaP obtained from the TEM images agree with values determined previously by x-ray diffraction from non-pure NW ensembles.

Pure wurtzite GaP nanowires grown on zincblende GaP substrates by selective area vapor liquid solid epitaxy.

PubMed

Halder, Nripendra N; Kelrich, Alexander; Cohen, Shimon; Ritter, Dan

2017-11-17

We report on the growth of single phase wurtzite (WZ) GaP nanowires (NWs) on GaP (111) B substrates by metal organic molecular beam epitaxy following the selective area vapor-liquid-solid (SA-VLS) approach. During the SA-VLS process, precursors are supplied directly to the NW sidewalls, and the short diffusion length of gallium (or its precursors) does not significantly limit axial growth. Transmission electron microscopy (TEM) images reveal that no stacking faults are present along a 600 nm long NW. The lattice constants of the pure WZ GaP obtained from the TEM images agree with values determined previously by x-ray diffraction from non-pure NW ensembles.

Molecular screening of antibiotic-resistant determinants among multidrug-resistant clinical isolates of Proteus mirabilis from SouthWest Nigeria.

PubMed

Alabi, Olumuyiwa Samuel; Mendonça, Nuno; Adeleke, Olufemi Ezekiel; da Silva, Gabriela Jorge

2017-06-01

Globally, and particularly in developing countries, the menace of anti-microbial resistance is an accelerating problem. In Nigeria, increase in bacterial resistance has been phenotypically established but due to high cost, few molecular studies have been reported. This study screened for presence of transferable resistance genes and mobile genetic elements (MGEs) such as integron among multi-drug resistant (MDR) P. mirabilis . A total of 108 P. mirabilis strains collected from five tertiary hospitals in SouthWest Nigeria were subjected to antibiotic susceptibility study using disc-diffusion method. Transferable resistance genes and MGEs were amplified using Polymerase chain reaction (PCR) analysis and amplicons sequenced. Varied resistance was observed against all the antibiotics tested. About 56% of the isolates were MDR including those from 0-12 years old children. PCR analysis revealed the presence of aac(6')-Ib (33.3%), plasmid mediated quinolone resistance (PMQR) genes [qnrA (36.7%), acc(6')-Ib-cr (5%)], TEM (48.3%), CTX-M (6.7%) and integrons class 1 (58.3%) and class 2 (26.7%). Sequencing analysis revealed bla TEM-1 , bla CTX-M-15 associated with IS Ecp1 and eight different arrays of gene cassettes: aadA1, aadA1-qacH, aadB-aadA2, aadA5, dfrA7, dfrA15, dfrA17, dfrA17-aadA5 . Transferable resistance genes in association with MGEs are present in Nigerian P. mirabilis thus their potential in disseminating resistance.

Catalyst-layer ionomer imaging of fuel cells

DOE PAGES

Guetaz, Laure; Lopez-Haro, M.; Escribano, S.; ...

2015-09-14

Investigation of membrane/electrode assembly (MEA) microstructure has become an essential step to optimize the MEA components and manufacturing processes or to study the MEA degradation. For these investigations, transmission electron microscopy (TEM) is a tool of choice as it provides direct imaging of the different components. TEM is then widely used for analyzing the catalyst nanoparticles and their carbon support. However, the ionomer inside the electrode is more difficult to be imaged. The difficulties come from the fact that the ionomer forms an ultrathin layer surrounding the carbon particles and in addition, these two components, having similar density, present nomore » difference in contrast. In this paper, we show how the recent progresses in TEM techniques as spherical aberration (Cs) corrected HRTEM, electron tomography and X-EDS elemental mapping provide new possibilities for imaging this ionomer network and consequently to study its degradation.« less

Modelling proteins' hidden conformations to predict antibiotic resistance

NASA Astrophysics Data System (ADS)

Hart, Kathryn M.; Ho, Chris M. W.; Dutta, Supratik; Gross, Michael L.; Bowman, Gregory R.

2016-10-01

TEM β-lactamase confers bacteria with resistance to many antibiotics and rapidly evolves activity against new drugs. However, functional changes are not easily explained by differences in crystal structures. We employ Markov state models to identify hidden conformations and explore their role in determining TEM's specificity. We integrate these models with existing drug-design tools to create a new technique, called Boltzmann docking, which better predicts TEM specificity by accounting for conformational heterogeneity. Using our MSMs, we identify hidden states whose populations correlate with activity against cefotaxime. To experimentally detect our predicted hidden states, we use rapid mass spectrometric footprinting and confirm our models' prediction that increased cefotaxime activity correlates with reduced Ω-loop flexibility. Finally, we design novel variants to stabilize the hidden cefotaximase states, and find their populations predict activity against cefotaxime in vitro and in vivo. Therefore, we expect this framework to have numerous applications in drug and protein design.

Imaging plasmodesmata with high-resolution scanning electron microscopy.

PubMed

Barton, Deborah A; Overall, Robyn L

2015-01-01

High-resolution scanning electron microscopy (HRSEM) is an effective tool to investigate the distribution of plasmodesmata within plant cell walls as well as to probe their complex, three-dimensional architecture. It is a useful alternative to traditional transmission electron microscopy (TEM) in which plasmodesmata are sectioned to reveal their internal substructures. Benefits of adopting an HRSEM approach to studies of plasmodesmata are that the specimen preparation methods are less complex and time consuming than for TEM, many plasmodesmata within a large region of tissue can be imaged in a single session, and three-dimensional information is readily available without the need for reconstructing TEM serial sections or employing transmission electron tomography, both of which are lengthy processes. Here we describe methods to prepare plant samples for HRSEM using pre- or postfixation extraction of cellular material in order to visualize plasmodesmata embedded within plant cell walls.

Quantification of transendothelial migration using three-dimensional confocal microscopy.

PubMed

Cain, Robert J; d'Água, Bárbara Borda; Ridley, Anne J

2011-01-01

Migration of cells across endothelial barriers, termed transendothelial migration (TEM), is an important cellular process that underpins the pathology of many disease states including chronic inflammation and cancer metastasis. While this process can be modeled in vitro using cultured cells, many model systems are unable to provide detailed visual information of cell morphologies and distribution of proteins such as junctional markers, as well as quantitative data on the rate of TEM. Improvements in imaging techniques have made microscopy-based assays an invaluable tool for studying this type of detailed cell movement in physiological processes. In this chapter, we describe a confocal microscopy-based method that can be used to assess TEM of both leukocytes and cancer cells across endothelial barriers in response to a chemotactic gradient, as well as providing information on their migration into a subendothelial extracellular matrix, designed to mimic that found in vivo.

Development of an analytical environmental TEM system and its application.

PubMed

Kishita, Keisuke; Sakai, Hisashi; Tanaka, Hiromochi; Saka, Hiroyasu; Kuroda, Kotaro; Sakamoto, Masayuki; Watabe, Akira; Kamino, Takeo

2009-12-01

Many automotive materials, such as catalysts and fuel cell materials, undergo significant changes in structure or properties when subjected to temperature change or the addition of a gas. For this reason, in the development of these materials, it is important to study the behavior of the material under controlled temperatures and gaseous atmospheres. Recently, a new environmental transmission electron microscope (TEM) has been developed for observation with a high resolution at high temperatures and under gaseous atmospheres, thus making it possible to analyze reaction processes in details. Also, the new TEM provides a high degree of reproducibility of observation conditions, thus making it possible to compare and validate observation of various specimens under a given set of conditions. Furthermore, easiness of gas condition and temperature control can provide a powerful tool for the studying of the mechanism of material change, such as oxidation and reduction reactions.

Chapter 14: Electron Microscopy on Thin Films for Solar Cells

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

Romero, Manuel; Abou-Ras, Daniel; Nichterwitz, Melanie

2016-07-22

This chapter overviews the various techniques applied in scanning electron microscopy (SEM) and transmission electron microscopy (TEM), and highlights their possibilities and also limitations. It gives the various imaging and analysis techniques applied on a scanning electron microscope. The chapter shows that imaging is divided into that making use of secondary electrons (SEs) and of backscattered electrons (BSEs), resulting in different contrasts in the images and thus providing information on compositions, microstructures, and surface potentials. Whenever aiming for imaging and analyses at scales of down to the angstroms range, TEM and its related techniques are appropriate tools. In many cases,more » also SEM techniques provide the access to various material properties of the individual layers, not requiring specimen preparation as time consuming as TEM techniques. Finally, the chapter dedicates to cross-sectional specimen preparation for electron microscopy. The preparation decides indeed on the quality of imaging and analyses.« less

1D structure of Y2O3:Eu nanorods: controllable synthesis, growth mechanisms and luminescence properties.

PubMed

Wang, Qin; Guo, Jing; Jia, Wenjing; Liul, Baocang; Liu, Yongxin; Xu, Guangran; Liu, Yang; Hu, Wenting; Zhang, Jun

2014-05-01

Y2O3O:Eu nanorods were successfully synthesized by a facile and effective hydrothermal method in the presence of P123 (EO106PO70EO106) as the surfactant followed by a subsequent heat treatment process. The scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images indicate that the as-prepared samples consist of nanorods with diameters ranging from 80 nm to 100 nm and grow along the (100) direction. The growth mechanism of the as-obtained Y2O3:Eu nanorods was proposed on the basis of pH-dependent experiments. It is found that the pH is a crucial factor in determining the phase, morphology and luminescence properties of Y2O3:Eu nanorods. The luminescent spectra of Y2O3:Eu nanorods show the strong characteristic dominant emission of the Eu3+ ions at 613 nm.

Friction stir welding of Zr-based bulk metallic glass

NASA Astrophysics Data System (ADS)

Ji, Y. S.; Fujii, H.; Maeda, M.; Nakata, K.; Kimura, H.; Inoue, A.; Nogi, K.

2009-05-01

A Zr55Cu30Al10Ni5 bulk metallic glass plate was successfully welded below its crystallization temperature by friction stir welding. The flash formation and heat concentration at the shoulder edge was minimized using a wider tool and the angle of the recessed shoulder surface was 3°. To analyze the crystallization of the base material and stir zone, the microstructure and mechanical properties were analyzed using DSC, XRD, TEM, and micro-hardness. As a result, it was found that the amorphous structure and original mechanical properties were maintained in the whole joints.

Studies on paclitaxel-loaded glyceryl monostearate nanoparticles.

PubMed

Shenoy, Vikram Subraya; Rajyaguru, Tushar Himmatlal; Gude, Rajiv Phondu; Murthy, Rayasa S Ramchandra

2009-09-01

Solid lipid nanoparticles (SLNs) of Paclitaxel were prepared by modified Hot homogenization method using Glyceryl monostearate (GMS). The SLNs were characterized for its physicochemical characteristics such as mean particle size, percentage entrapment efficiency and zeta potential, which were found to be 226 nm, 92.43% and -29.4 mV, respectively. The Transmission Electron Microscopy (TEM) studies showed that prepared SLNs were of spherical shape. The drug retarding efficiency of the lipid (GMS) was better in pH 7.4 compared to pH 3.5. The release profile showed a tendency to follow Higuchi diffusion pattern at pH 7.4 and Peppas-Korsenmeyer model at pH 3.5. Chemosensitivity assay carried out using B16F10 cell lines showed that anti-proliferative activity of Paclitaxel was not hindered due to encapsulation.

Using transmission electron microscopy and 3View® to determine collagen fibril size and three-dimensional organization

PubMed Central

Mironov, Aleksandr; Cootes, Timothy F.; Holmes, David F.; Kadler, Karl E.

2017-01-01

Collagen fibrils are the major tensile element in vertebrate tissues where they occur as ordered bundles in the extracellular matrix. Abnormal fibril assembly and organization results in scarring, fibrosis, poor wound healing and connective tissue diseases. Transmission electron microscopy (TEM) is used to assess formation of the fibrils, predominantly by measuring fibril diameter. Here we describe an enhanced protocol for measuring fibril diameter as well as fibril-volume-fraction, mean fibril length, fibril cross-sectional shape, and fibril 3D organization that are also major determinants of tissue function. Serial section TEM (ssTEM) has been used to visualize fibril 3D-organization in vivo. However, serial block face-scanning electron microscopy (SBF-SEM) has emerged as a time-efficient alternative to ssTEM. The protocol described below is suitable for preparing tissues for TEM and SBF-SEM (by 3View®). We demonstrate the power of 3View® for studying collagen fibril organization in vivo and show how to find and track individual fibrils. Time scale: ~8 days from isolating the tissue to having a 3D image stack. PMID:23807286

MOOSE: A PARALLEL COMPUTATIONAL FRAMEWORK FOR COUPLED SYSTEMS OF NONLINEAR EQUATIONS.

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

G. Hansen; C. Newman; D. Gaston

Systems of coupled, nonlinear partial di?erential equations often arise in sim- ulation of nuclear processes. MOOSE: Multiphysics Ob ject Oriented Simulation Environment, a parallel computational framework targeted at solving these systems is presented. As opposed to traditional data / ?ow oriented com- putational frameworks, MOOSE is instead founded on mathematics based on Jacobian-free Newton Krylov (JFNK). Utilizing the mathematical structure present in JFNK, physics are modularized into “Kernels” allowing for rapid production of new simulation tools. In addition, systems are solved fully cou- pled and fully implicit employing physics based preconditioning allowing for a large amount of ?exibility even withmore » large variance in time scales. Background on the mathematics, an inspection of the structure of MOOSE and several rep- resentative solutions from applications built on the framework are presented.« less

Multiphysics and multiscale modelling, data-model fusion and integration of organ physiology in the clinic: ventricular cardiac mechanics.

PubMed

Chabiniok, Radomir; Wang, Vicky Y; Hadjicharalambous, Myrianthi; Asner, Liya; Lee, Jack; Sermesant, Maxime; Kuhl, Ellen; Young, Alistair A; Moireau, Philippe; Nash, Martyn P; Chapelle, Dominique; Nordsletten, David A

2016-04-06

With heart and cardiovascular diseases continually challenging healthcare systems worldwide, translating basic research on cardiac (patho)physiology into clinical care is essential. Exacerbating this already extensive challenge is the complexity of the heart, relying on its hierarchical structure and function to maintain cardiovascular flow. Computational modelling has been proposed and actively pursued as a tool for accelerating research and translation. Allowing exploration of the relationships between physics, multiscale mechanisms and function, computational modelling provides a platform for improving our understanding of the heart. Further integration of experimental and clinical data through data assimilation and parameter estimation techniques is bringing computational models closer to use in routine clinical practice. This article reviews developments in computational cardiac modelling and how their integration with medical imaging data is providing new pathways for translational cardiac modelling.

Towards a supported common NEAMS software stack

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

Cormac Garvey

2012-04-01

The NEAMS IPSC's are developing multidimensional, multiphysics, multiscale simulation codes based on first principles that will be capable of predicting all aspects of current and future nuclear reactor systems. These new breeds of simulation codes will include rigorous verification, validation and uncertainty quantification checks to quantify the accuracy and quality of the simulation results. The resulting NEAMS IPSC simulation codes will be an invaluable tool in designing the next generation of Nuclear Reactors and also contribute to a more speedy process in the acquisition of licenses from the NRC for new Reactor designs. Due to the high resolution of themore » models, the complexity of the physics and the added computational resources to quantify the accuracy/quality of the results, the NEAMS IPSC codes will require large HPC resources to carry out the production simulation runs.« less

Deformation measurements by ESPI of the surface of a heated mirror and comparison with numerical model

NASA Astrophysics Data System (ADS)

Languy, Fabian; Vandenrijt, Jean-François; Saint-Georges, Philippe; Georges, Marc P.

2017-06-01

The manufacture of mirrors for space application is expensive and the requirements on the optical performance increase over years. To achieve higher performance, larger mirrors are manufactured but the larger the mirror the higher the sensitivity to temperature variation and therefore the higher the degradation of optical performances. To avoid the use of an expensive thermal regulation, we need to develop tools able to predict how optics behaves with thermal constraints. This paper presents the comparison between experimental surface mirror deformation and theoretical results from a multiphysics model. The local displacements of the mirror surface have been measured with the use of electronic speckle pattern interferometry (ESPI) and the deformation itself has been calculated by subtracting the rigid body motion. After validation of the mechanical model, experimental and numerical wave front errors are compared.

MOOSE: A parallel computational framework for coupled systems of nonlinear equations.

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

Derek Gaston; Chris Newman; Glen Hansen

Systems of coupled, nonlinear partial differential equations (PDEs) often arise in simulation of nuclear processes. MOOSE: Multiphysics Object Oriented Simulation Environment, a parallel computational framework targeted at the solution of such systems, is presented. As opposed to traditional data-flow oriented computational frameworks, MOOSE is instead founded on the mathematical principle of Jacobian-free Newton-Krylov (JFNK) solution methods. Utilizing the mathematical structure present in JFNK, physics expressions are modularized into `Kernels,'' allowing for rapid production of new simulation tools. In addition, systems are solved implicitly and fully coupled, employing physics based preconditioning, which provides great flexibility even with large variance in timemore » scales. A summary of the mathematics, an overview of the structure of MOOSE, and several representative solutions from applications built on the framework are presented.« less

Multi-Physics Simulation of TREAT Kinetics using MAMMOTH

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

DeHart, Mark; Gleicher, Frederick; Ortensi, Javier

With the advent of next generation reactor systems and new fuel designs, the U.S. Department of Energy (DOE) has identified the need for the resumption of transient testing of nuclear fuels. DOE has decided that the Transient Reactor Test Facility (TREAT) at Idaho National Laboratory (INL) is best suited for future testing. TREAT is a thermal neutron spectrum nuclear test facility that is designed to test nuclear fuels in transient scenarios. These specific fuels transient tests range from simple temperature transients to full fuel melt accidents. The current TREAT core is driven by highly enriched uranium (HEU) dispersed in amore » graphite matrix (1:10000 U-235/C atom ratio). At the center of the core, fuel is removed allowing for the insertion of an experimental test vehicle. TREAT’s design provides experimental flexibility and inherent safety during neutron pulsing. This safety stems from the graphite in the driver fuel having a strong negative temperature coefficient of reactivity resulting from a thermal Maxwellian shift with increased leakage, as well as graphite acting as a temperature sink. Air cooling is available, but is generally used post-transient for heat removal. DOE and INL have expressed a desire to develop a simulation capability that will accurately model the experiments before they are irradiated at the facility, with an emphasis on effective and safe operation while minimizing experimental time and cost. At INL, the Multi-physics Object Oriented Simulation Environment (MOOSE) has been selected as the model development framework for this work. This paper describes the results of preliminary simulations of a TREAT fuel element under transient conditions using the MOOSE-based MAMMOTH reactor physics tool.« less

Tackling some of the most intricate geophysical challenges via high-performance computing

NASA Astrophysics Data System (ADS)

Khosronejad, A.

2016-12-01

Recently, world has been witnessing significant enhancements in computing power of supercomputers. Computer clusters in conjunction with the advanced mathematical algorithms has set the stage for developing and applying powerful numerical tools to tackle some of the most intricate geophysical challenges that today`s engineers face. One such challenge is to understand how turbulent flows, in real-world settings, interact with (a) rigid and/or mobile complex bed bathymetry of waterways and sea-beds in the coastal areas; (b) objects with complex geometry that are fully or partially immersed; and (c) free-surface of waterways and water surface waves in the coastal area. This understanding is especially important because the turbulent flows in real-world environments are often bounded by geometrically complex boundaries, which dynamically deform and give rise to multi-scale and multi-physics transport phenomena, and characterized by multi-lateral interactions among various phases (e.g. air/water/sediment phases). Herein, I present some of the multi-scale and multi-physics geophysical fluid mechanics processes that I have attempted to study using an in-house high-performance computational model, the so-called VFS-Geophysics. More specifically, I will present the simulation results of turbulence/sediment/solute/turbine interactions in real-world settings. Parts of the simulations I present are performed to gain scientific insights into the processes such as sand wave formation (A. Khosronejad, and F. Sotiropoulos, (2014), Numerical simulation of sand waves in a turbulent open channel flow, Journal of Fluid Mechanics, 753:150-216), while others are carried out to predict the effects of climate change and large flood events on societal infrastructures ( A. Khosronejad, et al., (2016), Large eddy simulation of turbulence and solute transport in a forested headwater stream, Journal of Geophysical Research:, doi: 10.1002/2014JF003423).

A multiphysics 3D model of tissue growth under interstitial perfusion in a tissue-engineering bioreactor.

PubMed

Nava, Michele M; Raimondi, Manuela T; Pietrabissa, Riccardo

2013-11-01

The main challenge in engineered cartilage consists in understanding and controlling the growth process towards a functional tissue. Mathematical and computational modelling can help in the optimal design of the bioreactor configuration and in a quantitative understanding of important culture parameters. In this work, we present a multiphysics computational model for the prediction of cartilage tissue growth in an interstitial perfusion bioreactor. The model consists of two separate sub-models, one two-dimensional (2D) sub-model and one three-dimensional (3D) sub-model, which are coupled between each other. These sub-models account both for the hydrodynamic microenvironment imposed by the bioreactor, using a model based on the Navier-Stokes equation, the mass transport equation and the biomass growth. The biomass, assumed as a phase comprising cells and the synthesised extracellular matrix, has been modelled by using a moving boundary approach. In particular, the boundary at the fluid-biomass interface is moving with a velocity depending from the local oxygen concentration and viscous stress. In this work, we show that all parameters predicted, such as oxygen concentration and wall shear stress, by the 2D sub-model with respect to the ones predicted by the 3D sub-model are systematically overestimated and thus the tissue growth, which directly depends on these parameters. This implies that further predictive models for tissue growth should take into account of the three dimensionality of the problem for any scaffold microarchitecture.

Design of a highly sensitive ethanol sensor using a nano-coaxial p-Co3O4/n-TiO2 heterojunction synthesized at low temperature.

PubMed

Liang, Y Q; Cui, Z D; Zhu, S L; Li, Z Y; Yang, X J; Chen, Y J; Ma, J M

2013-11-21

In this paper, we describe the design, fabrication and gas-sensing tests of nano-coaxial p-Co3O4/n-TiO2 heterojunction. Specifically, uniform TiO2 nanotubular arrays have been assembled by anodization and used as templates for generation of the Co3O4 one-dimensional nanorods. The structure morphology and composition of as-prepared products have been characterized by SEM, XRD, TEM, and XPS. A possible growth mechanism governing the formation of such nano-coaxial heterojunctions is proposed. The TiO2 nanotube sensor shows a normal n-type response to reducing ethanol gas, whereas TiO2-Co3O4 exhibits p-type response with excellent sensing performances. This conversion of sensing behavior can be explained by the formation of p-n heterojunction structures. A possible sensing mechanism is also illustrated, which can provide theoretical guidance for the further development of advanced gas-sensitive materials with p-n heterojunction.

Three-dimensional ceramic molding process based on microstereolithography for the production of piezoelectric energy harvesters

NASA Astrophysics Data System (ADS)

Maruo, Shoji; Sugiyama, Kenji; Daicho, Yuya; Monri, Kensaku

2014-03-01

A three-dimensional (3-D) molding process using a master polymer mold produced by microstereolithography has been developed for the production of piezoelectric ceramic elements. In this method, ceramic slurry is injected into a 3-D polymer mold via a centrifugal casting process. The polymer master mold is thermally decomposed so that complex 3-D piezoelectric ceramic elements can be produced. As an example of 3-D piezoelectric ceramic elements, we produced a spiral piezoelectric element that can convert multidirectional loads into a voltage. It was confirmed that a prototype of the spiral piezoelectric element could generate a voltage by applying a load in both parallel and lateral directions in relation to the helical axis. The power output of 123 pW was obtained by applying the maximum load of 2.8N at 2 Hz along the helical axis. In addition, to improve the performance of power generation, we utilized a two-step sintering process to obtain dense piezoelectric elements. As a result, we obtained a sintering body with relative density of 92.8%. Piezoelectric constant d31 of the sintered body attained to -40.0 pC/N. Furthermore we analyzed the open-circuit voltage of the spiral piezoelectric element using COMSOL multiphysics. As a result, it was found that use of patterned electrodes according to the surface potential distribution of the spiral piezoelectric element had a potential to provide high output voltage that was 20 times larger than that of uniform electrodes.

First Solid-state Cooling Below 100K

DTIC Science & Technology

2015-03-13

Seth Melgaard, Denis Seletskiy, Alexander Albrecht, and Mansoor Sheik- Bahae Advances in material purity and laser light absorption offer new possi...all- solid-state cryocooler. Denis Seletskiy University of Konstanz Konstanz, Germany Alexander Albrecht and Mansoor Sheik- Bahae University of New...Unterschied von Lumineszenz- und Tem- peraturstrahlung, Z. Phys. 57, p. 739, 1929. 3. R. I . Epstein,M. I . Buchwald, B. C. Edwards, T. R. Gosnell, and

Transform Methods for Precision Nonlinear Wave Models of Flexible space Structures

DTIC Science & Technology

1990-08-20

developed, each of which has motivated a structural control methodology in a natural way. The Transform Element Modelling (TEM) approach uses the Laplace...IEk A L 2 = -, c G= ( C .3 a ,b ) Talng the Laplace transfor-m (neglecting initial conditions) )ields [1+tjSZ-(,s) +S ((X’S) + al2a~ pS4 (X’S) j(X’s) (04

Ultrathin nanosheets of graphitic carbon nitride heterojunction with flower like Bi2O3 for photodegradation of organic pollutants

NASA Astrophysics Data System (ADS)

Bano, Zahira; Muhmood, Tahir; Xia, Mingzhu; Lei, Wu; Wang, Fengyun

2018-05-01

The flower like microrods (MR) of α-Bi2O3 defined as (MR-Bi2O3) and ultrathin g-C3N4(UT-C3N4) p-n junction was successfully prepared by loading different concentrations of UT-C3N4 over MR-Bi2O3. Their morphology and structure were thoroughly studied by XRD, SEM, XPS, TEM, UV–vis diffuse reflectance spectra, FT-IR and PL spectra. The results showed that the UT-C3N4 has been wrapped in the flower like MR-Bi2O3. The designing of the p-n junction of UT- C3N4 and MR-Bi2O3 can enhance the separation efficiency of the electron-hole pairs. The photocatalytic degradation of RhB was drastically increased by designing of the p-n junction that is due to the photogenerated electron–hole pair’s separation efficiency.

Doping concentration effect on performance of single QW double-heterostructure InGaN/AlGaN light emitting diode

NASA Astrophysics Data System (ADS)

Halim, N. Syafira Abdul; Wahid, M. Halim A.; Hambali, N. Azura M. Ahmad; Rashid, Shanise; Shahimin, Mukhzeer M.

2017-11-01

Light emitting diode (LED) employed a numerous applications such as displaying information, communication, sensing, illumination and lighting. In this paper, InGaN/AlGaN based on one quantum well (1QW) light emitting diode (LED) is modeled and studied numerically by using COMSOL Multiphysics 5.1 version. We have selected In0.06Ga0.94N as the active layer with thickness 50nm sandwiched between 0.15μm thick layers of p and n-type Al0.15Ga0.85N of cladding layers. We investigated an effect of doping concentration on InGaN/AlGaN double heterostructure of light-emitting diode (LED). Thus, energy levels, carrier concentration, electron concentration and forward voltage (IV) are extracted from the simulation results. As the doping concentration is increasing, the performance of threshold voltage, Vth on one quantum well (1QW) is also increases from 2.8V to 3.1V.

A Multiphysics Finite Element and Peridynamics Model of Dielectric Breakdown

DTIC Science & Technology

2017-09-01

A method for simulating dielectric breakdown in solid materials is presented that couples electro-quasi-statics, the adiabatic heat equation, and...temperatures or high strains. The Kelvin force computation used in the method is verified against a 1-D solution and the linearization scheme used to treat the...plane problems, a 2-D composite capacitor with a conductive flaw, and a 3-D point–plane problem. The results show that the method is capable of

International Workshop on Finite Elements for Microwave Engineering (11th) - FEM2012 Student Support Grants

DTIC Science & Technology

2015-05-22

Liu 4.4. Optical, Electromagnetics, and Thermal Modeling of Interaction of a Focused Beam of Light with Plasmonic Nanoparticles Eren S. Unlu and...Kursat Sendur* 11:50 Lunch break (MacGregor Room) 13:10 3.4. Transient Thermal Analysis using a Non-conformal Domain Decomposition Approach Yang...Coffee break (Pinion room) 10:10 Session 9: Advances in Hybrid Methods and Multiphysics Problems (B. Shanker, L. Kempel) 9.2. Thermal -Aware DC IR

Dynamic Fracture Simulations of Explosively Loaded Cylinders

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

Arthur, Carly W.; Goto, D. M.

2015-11-30

This report documents the modeling results of high explosive experiments investigating dynamic fracture of steel (AerMet® 100 alloy) cylinders. The experiments were conducted at Lawrence Livermore National Laboratory (LLNL) during 2007 to 2008 [10]. A principal objective of this study was to gain an understanding of dynamic material failure through the analysis of hydrodynamic computer code simulations. Two-dimensional and three-dimensional computational cylinder models were analyzed using the ALE3D multi-physics computer code.

The roles of autophagy and hypoxia in human inflammatory periapical lesions.

PubMed

Huang, H Y; Wang, W C; Lin, P Y; Huang, C P; Chen, C Y; Chen, Y K

2018-02-01

To determine the expressions of hypoxia-related [hypoxia-inducible transcription factors (HIF)-1α, BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 (BNIP3) and phospho-adenosine monophosphate activated protein kinase (pAMPK)] and autophagy-related [microtubule-associated protein 1 light chain 3 (LC3), beclin-1 (BECN-1), autophagy-related gene (Atg)5-12, and p62] proteins in human inflammatory periapical lesions. Fifteen samples of radicular cysts (RCs) and 21 periapical granulomas (PGs), combined with 17 healthy dental pulp tissues, were examined. Enzyme-linked immunosorbent assay (ELISA) was used to detect interleukin (IL)-1β cytokine; immunohistochemical (IHC) and Western blot (WB) analyses were employed to examine autophagy-related and hypoxia-related proteins. Transmission electron microscopy (TEM) was used to explore the ultrastructural morphology of autophagy in periapical lesions. Nonparametric Kruskal-Wallis tests and Mann-Whitney U-tests were used for statistical analyses. ELISA revealed a significantly higher (P < 0.001) IL-1β expression in periapical lesions than in normal pulp tissue. Immunoscores of IHC expressions of pAMPK, HIF-1α, BNIP3, BECN-1 and Atg5-12 proteins in periapical lesions were significantly higher (P < 0.001) (except BECN-1) than those in normal pulp tissue. The results of IHC studies were largely compatible with those of WB analyses, where significantly higher (P < 0.05) expressions of hypoxia-related and autophagy-related proteins (except BECN-1, p62 and LC3II in WB analyses) in periapical lesions were noted as compared to normal pulp tissue. Upon TEM, ultrastructural double-membrane autophagosomes and autolysosomes were observed in PGs and RCs. Autophagy associated with hypoxia may play a potential causative role in the development and maintenance of inflamed periapical lesions. © 2017 International Endodontic Journal. Published by John Wiley & Sons Ltd.

Effect of different physicochemical conditions on the synthesis of silver nanoparticles using fungal cell filtrate of Aspergillus oryzae (MTCC No. 1846) and their antibacterial effect

NASA Astrophysics Data System (ADS)

Phanjom, Probin; Ahmed, Giasuddin

2017-12-01

Synthesis of silver nanoparticles (AgNPs) under different physicochemical conditions like concentration of silver nitrate (AgNO3), pH and temperature, using fungal cell filtrate of Aspergillus oryzae (MTCC No. 1846) and its antibacterial properties were demonstrated. When fungal cell filtrate having neutral pH was exposed to different concentrations of aqueous solution AgNO3 (1-10 mM), formation of stable AgNPs of different sizes was observed. The size of the AgNPs decreased with the increase of AgNO3 concentration from 1 mM to 8 mM, however, the particles size increased with the increase of AgNO3 concentration from 9 mM to 10 mM. When fungal cell filtrate exposed to aqueous solution of 1 mM AgNO3 at different pH (4-10), the silver ions (Ag+) were reduced leading to the formation of stable AgNPs of different sizes. The size of the AgNPs decreased with the increase of alkaline conditions. When aqueous solution of 1mM AgNO3 with fungal cell filtrate, having neutral pH, was exposed to different temperatures (10, 30, 50, 70 and 90 °С), formation of stable AgNPs having different sizes were obtained. The size of the AgNPs decreased with the increase of temperature. Synergetic effect with antibiotics and size dependent antibacterial activities were also demonstrated against Escherichia coli (MTCC 1687), Staphylococcus aureus (MTCC 737), Bacillus subtilis (MTCC 441) and Klebseilla pneumoniae (MTCC 4030). The formation AgNPs was characterized by UV-vis spectrophotometer. Transmission electron microscope (TEM) confirmed the sizes of the obtained nanoparticles. X-ray diffractometer (XRD) spectrum confirmed the formation of metallic silver. The Fourier transform infrared spectroscopy (FTIR) confirmed the presence of protein as stabilizing agent around AgNPs. Scanning electron microscope (TEM) confirmed the morphological changes in the treated bacterial organisms.

3D Study of the Morphology and Dynamics of Zeolite Nucleation.

PubMed

Melinte, Georgian; Georgieva, Veselina; Springuel-Huet, Marie-Anne; Nossov, Andreï; Ersen, Ovidiu; Guenneau, Flavien; Gedeon, Antoine; Palčić, Ana; Bozhilov, Krassimir N; Pham-Huu, Cuong; Qiu, Shilun; Mintova, Svetlana; Valtchev, Valentin

2015-12-07

The principle aspects and constraints of the dynamics and kinetics of zeolite nucleation in hydrogel systems are analyzed on the basis of a model Na-rich aluminosilicate system. A detailed time-series EMT-type zeolite crystallization study in the model hydrogel system was performed to elucidate the topological and temporal aspects of zeolite nucleation. A comprehensive set of analytical tools and methods was employed to analyze the gel evolution and complement the primary methods of transmission electron microscopy (TEM) and nuclear magnetic resonance (NMR) spectroscopy. TEM tomography reveals that the initial gel particles exhibit a core-shell structure. Zeolite nucleation is topologically limited to this shell structure and the kinetics of nucleation is controlled by the shell integrity. The induction period extends to the moment when the shell is consumed and the bulk solution can react with the core of the gel particles. These new findings, in particular the importance of the gel particle shell in zeolite nucleation, can be used to control the growth process and properties of zeolites formed in hydrogels. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A coupled diffusion-fluid pressure model to predict cell density distribution for cells encapsulated in a porous hydrogel scaffold under mechanical loading.

PubMed

Zhao, Feihu; Vaughan, Ted J; Mc Garrigle, Myles J; McNamara, Laoise M

2017-10-01

Tissue formation within tissue engineering (TE) scaffolds is preceded by growth of the cells throughout the scaffold volume and attachment of cells to the scaffold substrate. It is known that mechanical stimulation, in the form of fluid perfusion or mechanical strain, enhances cell differentiation and overall tissue formation. However, due to the complex multi-physics environment of cells within TE scaffolds, cell transport under mechanical stimulation is not fully understood. Therefore, in this study, we have developed a coupled multiphysics model to predict cell density distribution in a TE scaffold. In this model, cell transport is modelled as a thermal conduction process, which is driven by the pore fluid pressure under applied loading. As a case study, the model is investigated to predict the cell density patterns of pre-osteoblasts MC3T3-e1 cells under a range of different loading regimes, to obtain an understanding of desirable mechanical stimulation that will enhance cell density distribution within TE scaffolds. The results of this study have demonstrated that fluid perfusion can result in a higher cell density in the scaffold region closed to the outlet, while cell density distribution under mechanical compression was similar with static condition. More importantly, the study provides a novel computational approach to predict cell distribution in TE scaffolds under mechanical loading. Copyright © 2017 Elsevier Ltd. All rights reserved.

Transmission Electron Microscopy of Vacuum Sensitive, Radiation Sensitive, and Structurally Delicate Materials

NASA Astrophysics Data System (ADS)

Levin, Barnaby

The transmission electron microscope (TEM) is a powerful tool for characterizing the nanoscale and atomic structure of materials, offering insights into their fundamental physical properties. However, TEM characterization requires very thin samples of material to be placed in a high vacuum environment, and exposed to electron radiation. The high vacuum will induce some materials to evaporate or sublimate, preventing them from being accurately characterized, radiation may damage the sample, causing mass loss, or altering its structure, and structurally delicate samples may collapse and break apart when they are thinned for TEM imaging. This dissertation discusses three different projects in which each of these three difficulties pose challenges to TEM characterization of samples. Firstly, we outline strategies for minimizing radiation damage when characterizing materials in TEM at atomic resolution. We consider types of radiation damage, such as vacancy enhanced displacement, that are not included in some previous discussions of beam damage, and we consider how to minimize damage when using new imaging techniques such as annular bright-field scanning TEM. Our methodology emphasizes the general principle that variation of both signal strength and damage cross section must be considered when choosing an experimental electron beam voltage to minimize damage. Secondly, we consider samples containing sulfur, which is prone to sublimation in high vacuum. TEM is routinely used to attempt to characterize the sulfur distribution in lithium-sulfur battery electrodes, but sublimation artifacts can give misleading results. We demonstrate that sulfur sublimation can be suppressed by using cryogenic TEM to characterize sulfur at very low temperatures, or by using the recently developed airSEM to characterize sulfur without exposing it to vacuum. Finally, we discuss the characterization of aging cadmium yellow paint from early 20th century art masterpieces. The binding medium holding paint particles together bends and curls as sample thickness is reduced to 100 nm, making high resolution characterization challenging. We acquire lattice resolution images of the pigment particles through the binder using high voltage zero-loss energy filtered TEM, allowing us to measure the pigment particle size and determine the pigment crystal structure, providing insight into why the paint is aging and how it was synthesized.

TEM00 mode Nd:YAG solar laser by side-pumping a grooved rod

NASA Astrophysics Data System (ADS)

Vistas, Cláudia R.; Liang, Dawei; Almeida, Joana; Guillot, Emmanuel

2016-05-01

A simple TEM00 mode solar laser system with a grooved Nd:YAG rod pumped through a heliostat-parabolic mirror system is reported here. The radiation coupling capacity of a fused silica tube lens was combined with the multipass pumping ability of a 2 V-shaped cavity to provide efficient side-pumping along a 4.0 mm diameter grooved Nd:YAG single-crystal rod. TEM00 mode solar laser power of 3.4 W was measured by adopting an asymmetric large-mode laser resonant cavity. Record TEM00 mode solar laser collection efficiency of 3.4 W/m2and slope efficiency of 1.9% was achieved, which corresponds to 1.8 and 2.4 times more than the previous TEM00 mode Nd:YAG solar laser using the PROMES-CNRS heliostat-parabolic mirror system, respectively.

Development of Biodegradable Polyphosphazene- Nanohydroxyapatite Composite Nanofibers Via Electrospinning

DTIC Science & Technology

2005-01-01

transmission electron microscopy (TEM), gravimetry and energy dispersive X-ray mapping. This study demonstrated the feasibility of developing novel composite...successive precipitations into hexane (3x) and pentane (2x). The product was an off-white fibrous material. 31P NMR: (CDC13), ppm 3 -1.1. ’H NMR (CDC13), ppm...determined by gravimetry . Theoretical loading of 50% (w/w) of the nanofibers showed an actual loading of 59% (w/w) of nHAp in the nanofiber matrix. This

Curcumin serves as a human kv1.3 blocker to inhibit effector memory T lymphocyte activities.

PubMed

Lian, Yi-Tian; Yang, Xiao-Fang; Wang, Zhao-Hui; Yang, Yong; Yang, Ying; Shu, Yan-Wen; Cheng, Long-Xian; Liu, Kun

2013-09-01

Curcumin, the principal active component of turmeric, has long been used to treat various diseases in India and China. Recent studies show that curcumin can serve as a therapeutic agent for autoimmune diseases via a variety of mechanisms. Effector memory T cells (T(EM), CCR7⁻ CD45RO⁺ T lymphocyte) have been demonstrated to play a crucial role in the pathogenesis of T cell-mediated autoimmune diseases, such as multiple sclerosis (MS) or rheumatoid arthritis (RA). Kv1.3 channels are predominantly expressed in T(EM) cells and control T(EM) activities. In the present study, we examined the effect of curcumin on human Kv1.3 (hKv1.3) channels stably expressed in HEK-293 cells and its ability to inhibit proliferation and cytokine secretion of T(EM) cells isolated from patients with MS or RA. Curcumin exhibited a direct blockage of hKv1.3 channels in a time-dependent and concentration-dependent manner. Moreover, the activation curve was shifted to a more positive potential, which was consistent with an open-channel blockade. Paralleling hKv1.3 inhibition, curcumin significantly inhibited proliferation and interferon-γ secretion of T(EM) cells. Our findings demonstrate that curcumin is able to inhibit proliferation and proinflammatory cytokine secretion of T(EM) cells probably through inhibition of hKv1.3 channels, which contributes to the potency of curcumin for the treatment of autoimmune diseases. This is probably one of pharmacological mechanisms of curcumin used to treat autoimmune diseases. Copyright © 2012 John Wiley & Sons, Ltd.

Validation Data and Model Development for Fuel Assembly Response to Seismic Loads

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

Bardet, Philippe; Ricciardi, Guillaume

2016-01-31

Vibrations are inherently present in nuclear reactors, especially in cores and steam generators of pressurized water reactors (PWR). They can have significant effects on local heat transfer and wear and tear in the reactor and often set safety margins. The simulation of these multiphysics phenomena from first principles requires the coupling of several codes, which is one the most challenging tasks in modern computer simulation. Here an ambitious multiphysics multidisciplinary validation campaign is conducted. It relied on an integrated team of experimentalists and code developers to acquire benchmark and validation data for fluid-structure interaction codes. Data are focused on PWRmore » fuel bundle behavior during seismic transients.« less

Rapid synthesis of Ti-MCM-41 by microwave-assisted hydrothermal method towards photocatalytic degradation of oxytetracycline.

PubMed

Chen, Hanlin; Peng, Yen-Ping; Chen, Ku-Fan; Lai, Chia-Hsiang; Lin, Yung-Chang

2016-06-01

This study employed microwave-assisted hydrothermal method to synthesize Ti-MCM-41, which are mesoporous materials with a high surface area and excellent photocatalytic ability. Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), and ultraviolet-visible spectroscopy (UV-Vis) were employed. The XRD findings showed that Ti-MCM-41 exhibited a peak at 2θ of 2.2°, which was attributed to the hexagonal MCM-41 structure. The BET (Brunauer-Emmett-Teller) results agreed with the TEM findings that Ti-MCM-41 has a pore size of about 3-5nm and a high surface area of 883m(2)/g. FTIR results illustrated the existence of Si-O-Si and Si-O-Ti bonds in Ti-MCM-41. The appearance of Ti 2p peaks in the XPS results confirmed the FTIR findings that the Ti was successfully doped into the MCM-41 structure. Zeta (ζ)-potential results indicated that the iso-electric point (IEP) of Ti-MCM-41 was at about pH3.02. In this study, the photocatalytic degradation of oxytetracycline (OTC) at different pH was investigated under Hg lamp irradiation (wavelength 365nm). The rate constant (K'obs) for OTC degradation was 0.012min(-1) at pH3. Furthermore, TOC (total organic carbon) and high resolution LC-MS (liquid chromatography-mass spectrometry) analyses were conducted to elucidate the possible intermediate products and degradation pathway for OTC. The TOC removal efficiency of OTC degradation was 87.0%, 74.4% and 50.9% at pH3, 7 and 10, respectively. LC-MS analysis results showed that the degradation products from OTC resulted from the removal of functional groups from the OTC ring. Copyright © 2016. Published by Elsevier B.V.

TEM characterization of a silorane composite bonded to enamel/dentin.

PubMed

Mine, Atsushi; De Munck, Jan; Van Ende, Annelies; Cardoso, Marcio Vivan; Kuboki, Takuo; Yoshida, Yasuhiro; Van Meerbeek, Bart

2010-06-01

The low-shrinking composite composed of combined siloxane-oxirane technology (Filtek Silorane, 3M ESPE, Seefeld, Germany) required the development of a specific adhesive (Silorane System Adhesive, 3M ESPE), in particular because of the high hydrophobicity of the silorane composite. The purpose of this study was to characterize the interfacial ultra-structure at enamel and dentin using transmission electron microscopy (TEM). Non-demineralized/demineralized 70-90 nm sections were prepared following common TEM specimen processing procedures. TEM revealed a typical twofold build-up of the adhesive resin, resulting in a total adhesive layer thickness of 10-20 microm. At bur-cut enamel, a tight interface without distinct dissolution of hydroxyapatite was observed. At bur-cut dentin, a relatively thin hybrid layer of maximum a few hundreds of nanometer was formed without clear surface demineralization. No clear resin tags were formed. At fractured dentin, the interaction appeared very superficial (100-200 nm). Distinct resin tags were formed due to the absence of smear plugs. Silver-nitrate infiltration showed a varying pattern of both spot- and cluster-like appearance of nano-leakage. Traces of Ag were typically detected along some part of the enamel-adhesive interface and/or between the two adhesive resin layers. Substantially more Ag-infiltration was observed along the dentin-adhesive interface of bur-cut dentin, as compared to that of fractured dentin. The nano-interaction of Silorane System Adhesive should be attributed to its relatively high pH of 2.7. The obtained tight interface at both enamel and dentin indicates that the two-step self-etch adhesive effectively bridged the hydrophilic tooth substrate with the hydrophobic silorane composite. Copyright (c) 2010 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Fabrication, characterization and application of pectin degrading Fe3O4-SiO2 nanobiocatalyst.

PubMed

Seenuvasan, Muthulingam; Malar, Carlin Geor; Preethi, Sridhar; Balaji, Nagarajan; Iyyappan, Jeyaraj; Kumar, Madhava Anil; Kumar, Kannaiyan Sathish

2013-05-01

The covalent binding of pectinase onto amino functionalized silica-coated magnetic nanoparticles (CSMNPs) through glutaraldehyde activation was investigated for nanobiocatalyst fabrication. The average particle size and morphology of the nanoparticles were characterized using transmission electron microscopy (TEM). The statistical analysis for TEM image suggests that the coating and binding process did not cause any significant change in size of MNPs. The morphological and phase change of the magnetic nanoparticles (MNPs) after various coatings and immobilization were characterized by X-ray diffraction (XRD) studies. The various surface modifications and pectinase binding onto nanoparticles were confirmed by Fourier transform infrared (FT-IR) spectroscopy. The maximum activity of immobilized pectinase was obtained at its weight ratio of 19.0×10(-3) mg bound pectinase/mg CSMNPs. The pH, temperature, reusability, storage ability and kinetic studies were established to monitor their improved stability and activity of the fabricated nanobiocatalyst. Furthermore, the application was extended in the clarification of Malus domestica juice. Copyright © 2013 Elsevier B.V. All rights reserved.

Nanovesicle encapsulation of antimicrobial peptide P34: physicochemical characterization and mode of action on Listeria monocytogenes

NASA Astrophysics Data System (ADS)

da Silva Malheiros, Patrícia; Sant'Anna, Voltaire; Micheletto, Yasmine Miguel Serafini; da Silveira, Nadya Pesce; Brandelli, Adriano

2011-08-01

Antimicrobial peptide P34, a substance showing antibacterial activity against pathogenic and food spoilage bacteria, was encapsulated in liposomes prepared from partially purified soybean phosphatidylcholine, and their physicochemical characteristics were evaluated. The antimicrobial activity was estimated by agar diffusion assay using Listeria monocytogenes ATCC 7644 as indicator strain. A concentration of 3,200 AU/mL of P34 was encapsulated in nanovesicles and stocked at 4 °C. No significant difference ( p > 0.05) in the biological activity of free and encapsulated P34 was observed through 24 days. Size and PDI of liposomes, investigated by light scattering analysis, were on average 150 nm and 0.22 respectively. Zeta potential was -27.42 mV. There was no significant change ( p > 0.05) in the physicochemical properties of liposomes during the time of evaluation. The liposomes presented closed spherical morphology as visualized by transmission electron microscopy (TEM). The mode of action of liposome-encapsulated P34 under L. monocytogenes cells was investigated by TEM. Liposomes appeared to adhere but not fuse with the bacterial cell wall, suggesting that the antimicrobial is released from nanovesicles to act against the microorganism. The effect of free and encapsulated P34 was tested against L. monocytogenes, showing that free bacteriocin inhibited the pathogen more quickly than the encapsulated P34. Liposomes prepared with low-cost lipid showed high encapsulation efficiency for a new antimicrobial peptide and were stable during storage. The mode of action against the pathogen L. monocytogenes was characterized.

Fully Coupled Aero-Thermochemical-Elastic Simulations of an Eroding Graphite Nozzle

NASA Technical Reports Server (NTRS)

Blades, E. L.; Reveles, N. D.; Nucci, M.; Maclean, M.

2017-01-01

A multiphysics simulation capability has been developed that incorporates mutual interactions between aerodynamics, structural response from aero/thermal loading, ablation/pyrolysis, heating, and surface-to-surface radiation to perform high-fidelity, fully coupled aerothermoelastic ablation simulations, which to date had been unattainable. The multiphysics framework couples CHAR (a 3-D implicit charring ablator solver), Loci/CHEM (a computational fluid dynamics solver for high-speed chemically reacting flows), and Abaqus (a nonlinear structural dynamics solver) to create a fully coupled aerothermoelastic charring ablative solver. The solvers are tightly coupled in a fully integrated fashion to resolve the effects of the ablation pyrolysis and charring process and chemistry products upon the flow field, the changes in surface geometry due to recession upon the flow field, and thermal-structural analysis of the body from the induced aerodynamic heating from the flow field. The multiphysics framework was successfully demonstrated on a solid rocket motor graphite nozzle erosion application. Comparisons were made with available experimental data that measured the throat erosion during the motor firing. The erosion data is well characterized, as the test rig was equipped with a windowed nozzle section for real-time X-ray radiography diagnostics of the instantaneous throat variations for deducing the instantaneous erosion rates. The nozzle initially undergoes a nozzle contraction due to thermal expansion before ablation effects are able to widen the throat. A series of parameters studies were conducted using the coupled simulation capability to determine the sensitivity of the nozzle erosion to different parameters. The parameter studies included the shape of the nozzle throat (flat versus rounded), the material properties, the effect of the choice of turbulence model, and the inclusion or exclusion of the mechanical thermal expansion. Overall, the predicted results match the experiment very well, and the predictions were able to bound the data within acceptable limits.

Coarse-grained component concurrency in Earth system modeling: parallelizing atmospheric radiative transfer in the GFDL AM3 model using the Flexible Modeling System coupling framework

NASA Astrophysics Data System (ADS)

Balaji, V.; Benson, Rusty; Wyman, Bruce; Held, Isaac

2016-10-01

Climate models represent a large variety of processes on a variety of timescales and space scales, a canonical example of multi-physics multi-scale modeling. Current hardware trends, such as Graphical Processing Units (GPUs) and Many Integrated Core (MIC) chips, are based on, at best, marginal increases in clock speed, coupled with vast increases in concurrency, particularly at the fine grain. Multi-physics codes face particular challenges in achieving fine-grained concurrency, as different physics and dynamics components have different computational profiles, and universal solutions are hard to come by. We propose here one approach for multi-physics codes. These codes are typically structured as components interacting via software frameworks. The component structure of a typical Earth system model consists of a hierarchical and recursive tree of components, each representing a different climate process or dynamical system. This recursive structure generally encompasses a modest level of concurrency at the highest level (e.g., atmosphere and ocean on different processor sets) with serial organization underneath. We propose to extend concurrency much further by running more and more lower- and higher-level components in parallel with each other. Each component can further be parallelized on the fine grain, potentially offering a major increase in the scalability of Earth system models. We present here first results from this approach, called coarse-grained component concurrency, or CCC. Within the Geophysical Fluid Dynamics Laboratory (GFDL) Flexible Modeling System (FMS), the atmospheric radiative transfer component has been configured to run in parallel with a composite component consisting of every other atmospheric component, including the atmospheric dynamics and all other atmospheric physics components. We will explore the algorithmic challenges involved in such an approach, and present results from such simulations. Plans to achieve even greater levels of coarse-grained concurrency by extending this approach within other components, such as the ocean, will be discussed.

Microstructural Study of Micron-Sized Craters Simulating Stardust Impacts in Aluminum 1100 Targets

NASA Technical Reports Server (NTRS)

Leroux, Hugues; Borg, Janet; Troadec, David; Djouadi, Zahia; Horz, Friedrich

2006-01-01

Various microscopic techniques were used to characterize experimental micro- craters in aluminium foils to prepare for the comprehensive analysis of the cometary and interstellar particle impacts in aluminium foils to be returned by the Stardust mission. First, SEM (Scanning Electron Microscopy) and EDS (Energy Dispersive X-ray Spectroscopy) were used to study the morphology of the impact craters and the bulk composition of the residues left by soda-lime glass impactors. A more detailed structural and compositional study of impactor remnants was then performed using TEM (Transmission Electron Microscopy), EDS, and electron diffraction methods. The TEM samples were prepared by Focused Ion Beam (FIB) methods. This technique proved to be especially valuable in studying impact crater residues and impact crater morphology. Finally, we also showed that InfraRed microscopy (IR) can be a quick and reliable tool for such investigations. The combination of all of these tools enables a complete microscopic characterization of the craters.

Phases of match-play in professional Australian Football: Descriptive analysis and reliability assessment.

PubMed

Rennie, Michael J; Watsford, Mark L; Spurrs, Robert W; Kelly, Stephen J; Pine, Matthew J

2018-06-01

To examine the frequency and time spent in the phases of Australian Football (AF) match-play and to assess the intra-assessor reliability of coding these phases of match-play. Observational, intra-reliability assessment. Video footage of 10 random quarters of AF match-play were coded by a single researcher. Phases of offence, defence, contested play, umpire stoppage, set shot and goal reset were coded using a set of operational definitions. Descriptive statistics were provided for all phases of match-play. Following a 6-month washout period, intra-coder reliability was assessed using typical error of measurement (TEM) and intra-class correlation coefficients (ICC). A quarter of AF match-play involved 128±20 different phases of match-play. The highest proportion of match-play involved contested play (25%), followed by offence (18%), defence (18%) and umpire stoppages (18%). The mean duration of offence, defence, contested play, umpire stoppage, set shot and goal reset were 14, 14, 10, 11, 28 and 47s, respectively. No differences were found between the two coding assessments (p>0.05). ICCs for coding the phases of play demonstrated very high reliability (r=0.902-0.992). TEM of the total time spent in each phase of play represented moderate to good reliability (TEM=1.8-9.3%). Coding of offence, defence and contested play tended to display slightly poorer TEMs than umpire stoppages, set shots and goal resets (TEM=8.1 vs 4.5%). Researchers can reliably code the phases of AF match-play which may permit the analysis of specific elements of competition. Copyright © 2017 Sports Medicine Australia. Published by Elsevier Ltd. All rights reserved.

Towards 3D crystal orientation reconstruction using automated crystal orientation mapping transmission electron microscopy (ACOM-TEM).

PubMed

Kobler, Aaron; Kübel, Christian

2018-01-01

To relate the internal structure of a volume (crystallite and phase boundaries) to properties (electrical, magnetic, mechanical, thermal), a full 3D reconstruction in combination with in situ testing is desirable. In situ testing allows the crystallographic changes in a material to be followed by tracking and comparing the individual crystals and phases. Standard transmission electron microscopy (TEM) delivers a projection image through the 3D volume of an electron-transparent TEM sample lamella. Only with the help of a dedicated TEM tomography sample holder is an accurate 3D reconstruction of the TEM lamella currently possible. 2D crystal orientation mapping has become a standard method for crystal orientation and phase determination while 3D crystal orientation mapping have been reported only a few times. The combination of in situ testing with 3D crystal orientation mapping remains a challenge in terms of stability and accuracy. Here, we outline a method to 3D reconstruct the crystal orientation from a superimposed diffraction pattern of overlapping crystals without sample tilt. Avoiding the typically required tilt series for 3D reconstruction enables not only faster in situ tests but also opens the possibility for more stable and more accurate in situ mechanical testing. The approach laid out here should serve as an inspiration for further research and does not make a claim to be complete.

Finite Element Analysis in the Estimation of Air-Gap Torque and Surface Temperature of Induction Machine

NASA Astrophysics Data System (ADS)

Mr., J. Ravi Kumar; Banakara, Basavaraja, Dr.

2017-08-01

This paper presents electromagnetic and thermal behavior of Induction Motor (IM) through the modeling and analysis by applying multiphysics coupled Finite Element Analysis (FEA). Therefore prediction of the magnetic flux, electromagnetic torque, stator and rotor losses and temperature distribution inside an operating electric motor are the most important issues during its design. Prediction and estimation of these parameters allows design engineers to decide capability of the machine for the proposed load, temperature rating and its application for which it is being designed ensuring normal motor operation at rated conditions. In this work, multiphysics coupled electromagnetic - thermal modeling and analysis of induction motor at rated and high frequency has carried out applying Arkkio’s torque method. COMSOL Multiphysics software is used for modeling and finite element analysis of IM. Transient electromagnetic torque, magnetic field distribution, speed-torque characteristics of IM were plotted and studied at different frequencies. This proposed work helps in the design and prediction of accurate performance of induction motor specific to various industrial drive applications. Results obtained are also validated with experimental analysis. The main purpose of this model is to use it as an integral part of the design aiming to system optimization of Variable Speed Drive (VSD) and its components using coupled simulations.

High frequency electromagnetism, heat transfer and fluid flow coupling in ANSYS multiphysics.

PubMed

Sabliov, Cristina M; Salvi, Deepti A; Boldor, Dorin

2007-01-01

The goal of this study was to numerically predict the temperature of a liquid product heated in a continuous-flow focused microwave system by coupling high frequency electromagnetism, heat transfer, and fluid flow in ANSYS Multiphysics. The developed model was used to determine the temperature change in water processed in a 915 MHz microwave unit, under steady-state conditions. The influence of the flow rates on the temperature distribution in the liquid was assessed. Results showed that the average temperature of water increased from 25 degrees C to 34 degrees C at 2 l/min, and to 42 degrees C at 1 l/min. The highest temperature regions were found in the liquid near the center of the tube, followed by progressively lower temperature regions as the radial distance from the center increased, and finally followed by a slightly higher temperature region near the tube's wall corresponding to the energy distribution given by the Mathieu function. The energy distribution resulted in a similar temperature pattern, with the highest temperatures close to the center of the tube and lower at the walls. The presented ANSYS Multiphysics model can be easily improved to account for complex boundary conditions, phase change, temperature dependent properties, and non-Newtonian flows, which makes for an objective of future studies.

Heat Source Characterization In A TREAT Fuel Particle Using Coupled Neutronics Binary Collision Monte-Carlo Calculations

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

Schunert, Sebastian; Schwen, Daniel; Ghassemi, Pedram

This work presents a multi-physics, multi-scale approach to modeling the Transient Test Reactor (TREAT) currently prepared for restart at the Idaho National Laboratory. TREAT fuel is made up of microscopic fuel grains (r ˜ 20µm) dispersed in a graphite matrix. The novelty of this work is in coupling a binary collision Monte-Carlo (BCMC) model to the Finite Element based code Moose for solving a microsopic heat-conduction problem whose driving source is provided by the BCMC model tracking fission fragment energy deposition. This microscopic model is driven by a transient, engineering scale neutronics model coupled to an adiabatic heating model. Themore » macroscopic model provides local power densities and neutron energy spectra to the microscpic model. Currently, no feedback from the microscopic to the macroscopic model is considered. TREAT transient 15 is used to exemplify the capabilities of the multi-physics, multi-scale model, and it is found that the average fuel grain temperature differs from the average graphite temperature by 80 K despite the low-power transient. The large temperature difference has strong implications on the Doppler feedback a potential LEU TREAT core would see, and it underpins the need for multi-physics, multi-scale modeling of a TREAT LEU core.« less

Multiphysics Nuclear Thermal Rocket Thrust Chamber Analysis

NASA Technical Reports Server (NTRS)

Wang, Ten-See

2005-01-01

The objective of this effort is t o develop an efficient and accurate thermo-fluid computational methodology to predict environments for hypothetical thrust chamber design and analysis. The current task scope is to perform multidimensional, multiphysics analysis of thrust performance and heat transfer analysis for a hypothetical solid-core, nuclear thermal engine including thrust chamber and nozzle. The multiphysics aspects of the model include: real fluid dynamics, chemical reactivity, turbulent flow, and conjugate heat transfer. The model will be designed to identify thermal, fluid, and hydrogen environments in all flow paths and materials. This model would then be used to perform non- nuclear reproduction of the flow element failures demonstrated in the Rover/NERVA testing, investigate performance of specific configurations and assess potential issues and enhancements. A two-pronged approach will be employed in this effort: a detailed analysis of a multi-channel, flow-element, and global modeling of the entire thrust chamber assembly with a porosity modeling technique. It is expected that the detailed analysis of a single flow element would provide detailed fluid, thermal, and hydrogen environments for stress analysis, while the global thrust chamber assembly analysis would promote understanding of the effects of hydrogen dissociation and heat transfer on thrust performance. These modeling activities will be validated as much as possible by testing performed by other related efforts.

Effects of Polyethylene Glycol and Citric Acid on Preparation and Hydrodechlorination Activity of Molybdenum Phosphide

NASA Astrophysics Data System (ADS)

Liu, Xiaomeng; Lu, Shaoxiang; Xu, Hanghui; Ren, Lili

2018-07-01

Molybdenum phosphide (MoP), modified by polyethylene glycol (PEG) and citric acid (CA), exhibited 2 to 3 times superior activity than the MoP modified by CA alone. And the optimal activity temperature was reduced from 500 to 450oC. The catalyst was fully characterized by a variety of techniques including X-ray diffraction (XRD), N2 adsorption-desorption isotherm, scanning electron microscopy (SEM), transmission electron microscopy (TEM). The results showed that the addition of PEG and CA increased the surface area of MoP and decreased the particle size of MoP. Furthermore, the reaction mechanism also has been discussed by combining the activity data and characterization results.

Biosynthesis of extracellular and intracellular gold nanoparticles by Aspergillus fumigatus and A. flavus.

PubMed

Gupta, Saurabh; Bector, Shruti

2013-05-01

Green chemistry is a boon for the development of safe, stable and ecofriendly nanostructures using biological tools. The present study was carried out to explore the potential of selected fungal strains for biosynthesis of intra- and extracellular gold nanostructures. Out of the seven cultures, two fungal strains (SBS-3 and SBS-7) were selected on the basis of development of dark pink colour in cell free supernatant and fungal beads, respectively indicative of extra- and intracellular gold nanoparticles production. Both biomass associated and cell free gold nanoparticles were characterized using X-ray diffractogram (XRD) analysis and transmission electron microscopy (TEM). XRD analysis confirmed crystalline, face-centered cubic lattice of metallic gold nanoparticles along with average crystallite size. A marginal difference in average crystallite size of extracellular (17.76 nm) and intracellular (26 and 22 nm) Au-nanostructures was observed using Scherrer equation. In TEM, a variety of shapes (triangles, spherical, hexagonal) were observed in both extra- and intracellular nanoparticles. 18S rRNA gene sequence analysis by multiple sequence alignment (BLAST) indicated 99 % homology of SBS-3 to Aspergillus fumigatus with 99 % alignment coverage and 98 % homology of SBS-7 to Aspergillus flavus with 98 % alignment coverage respectively. Native-PAGE and activity staining further confirmed enzyme linked synthesis of gold nanoparticles.

A molecular hybrid polyoxometalate-organometallic moieties and its relevance to supercapacitors in physiological electrolytes

NASA Astrophysics Data System (ADS)

Chinnathambi, Selvaraj; Ammam, Malika

2015-06-01

Supercapacitors operating in physiological electrolytes are of great relevance for both their environmentally friendly aspect as well as the possibility to be employed for powering implantable microelectronic devices using directly biological fluids as electrolytes. Polyoxometalate (POMs) have been proven to be useful for supercapacitors in acidic media. However, in neutral pH, POMs are usually not stable. One relevant alternative is to stabilize POMs by pairing them with organic moieties to form hybrids. In this study, we combined K6P2Mo18O62·12H2O (P2Mo18) with Ru(bpy)3Cl2.6H2O (Ru(bpy)). The synthesis was carried out with and without the mild reducing agent KI. The hybrids were characterized by CHN analysis, TEM, FT-IR, XRD, TGA and cyclic voltammetry. CHN elemental analysis revealed that one mole [P2Mo18O62]6- is paired with 3 mol [Ru(bpy)3]2+ to form [Ru(bpy)3]3PMo18O62·nH2O. With KI present, [P2Mo18O62]6- is linked to 3.33 mol to yield [Ru(bpy)3]3.33PMo18O62·mH2O. Excess of Ru(bpy) in [Ru(bpy)3]3.33PMo18O62·mH2O was further confirmed by TEM, FT-IR, XRD, TGA and cyclic voltammetry. In turn, hybrid composition is found to strongly influence the supercapacitor behavior. The hybrid rich in Ru(bpy) is found to perform better for supercapacitors in physiological electrolytes. 125 F g-1 and 68 F g-1 are the capacitance values obtained with [Ru(bpy)3]3.33PMo18O62·mH2O and [Ru(bpy)3]3PMo18O62·nH2O, respectively. In terms of specific energy densities, 3.5 Wh kg-1 and 2 Wh kg-1 were obtained for both hybrid simultaneously. The difference in supercapacitor performance between both hybrids is also noticed in impedance spectroscopy which showed that [Ru(bpy)3]3.33PMo18O62·mH2O has lower electron transfer resistance if compared to [Ru(bpy)3]3PMo18O62·nH2O. Finally, if compared of parent K6P2Mo18O62·12H2O, the stability of both hybrids is found to be highly improved.

Extensive Gene Amplification as a Mechanism for Piperacillin-Tazobactam Resistance in Escherichia coli.

PubMed

Schechter, Lisa M; Creely, David P; Garner, Cherilyn D; Shortridge, Dee; Nguyen, Hoan; Chen, Lei; Hanson, Blake M; Sodergren, Erica; Weinstock, George M; Dunne, W Michael; van Belkum, Alex; Leopold, Shana R

2018-04-24

Although the TEM-1 β-lactamase (Bla TEM-1 ) hydrolyzes penicillins and narrow-spectrum cephalosporins, organisms expressing this enzyme are typically susceptible to β-lactam/β-lactamase inhibitor combinations such as piperacillin-tazobactam (TZP). However, our previous work led to the discovery of 28 clinical isolates of Escherichia coli resistant to TZP that contained only bla TEM-1 One of these isolates, E. coli 907355, was investigated further in this study. E. coli 907355 exhibited significantly higher β-lactamase activity and Bla TEM-1 protein levels when grown in the presence of subinhibitory concentrations of TZP. A corresponding TZP-dependent increase in bla TEM-1 copy number was also observed, with as many as 113 copies of the gene detected per cell. These results suggest that TZP treatment promotes an increase in bla TEM-1 gene dosage, allowing Bla TEM-1 to reach high enough levels to overcome inactivation by the available tazobactam in the culture. To better understand the nature of the bla TEM-1 copy number proliferation, whole-genome sequence (WGS) analysis was performed on E. coli 907355 in the absence and presence of TZP. The WGS data revealed that the bla TEM-1 gene is located in a 10-kb genomic resistance module (GRM) that contains multiple resistance genes and mobile genetic elements. The GRM was found to be tandemly repeated at least 5 times within a p1ESCUM/p1ECUMN-like plasmid when bacteria were grown in the presence of TZP. IMPORTANCE Understanding how bacteria acquire resistance to antibiotics is essential for treating infected patients effectively, as well as preventing the spread of resistant organisms. In this study, a clinical isolate of E. coli was identified that dedicated more than 15% of its genome toward tandem amplification of a ~10-kb resistance module, allowing it to escape antibiotic-mediated killing. Our research is significant in that it provides one possible explanation for clinical isolates that exhibit discordant behavior when tested for antibiotic resistance by different phenotypic methods. Our research also shows that GRM amplification is difficult to detect by short-read WGS technologies. Analysis of raw long-read sequence data was required to confirm GRM amplification as a mechanism of antibiotic resistance. Copyright © 2018 Schechter et al.

Development of Multi-physics (Multiphase CFD + MCNP) simulation for generic solution vessel power calculation

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

Kim, Seung Jun; Buechler, Cynthia Eileen

The current study aims to predict the steady state power of a generic solution vessel and to develop a corresponding heat transfer coefficient correlation for a Moly99 production facility by conducting a fully coupled multi-physics simulation. A prediction of steady state power for the current application is inherently interconnected between thermal hydraulic characteristics (i.e. Multiphase computational fluid dynamics solved by ANSYS-Fluent 17.2) and the corresponding neutronic behavior (i.e. particle transport solved by MCNP6.2) in the solution vessel. Thus, the development of a coupling methodology is vital to understand the system behavior at a variety of system design and postulated operatingmore » scenarios. In this study, we report on the k-effective (keff) calculation for the baseline solution vessel configuration with a selected solution concentration using MCNP K-code modeling. The associated correlation of thermal properties (e.g. density, viscosity, thermal conductivity, specific heat) at the selected solution concentration are developed based on existing experimental measurements in the open literature. The numerical coupling methodology between multiphase CFD and MCNP is successfully demonstrated, and the detailed coupling procedure is documented. In addition, improved coupling methods capturing realistic physics in the solution vessel thermal-neutronic dynamics are proposed and tested further (i.e. dynamic height adjustment, mull-cell approach). As a key outcome of the current study, a multi-physics coupling methodology between MCFD and MCNP is demonstrated and tested for four different operating conditions. Those different operating conditions are determined based on the neutron source strength at a fixed geometry condition. The steady state powers for the generic solution vessel at various operating conditions are reported, and a generalized correlation of the heat transfer coefficient for the current application is discussed. The assessment of multi-physics methodology and preliminary results from various coupled calculations (power prediction and heat transfer coefficient) can be further utilized for the system code validation and generic solution vessel design improvement.« less

Direct observation of the ferroelectric polarization in the layered perovskite Bi{sub 4}Ti{sub 3}O{sub 12}

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

Urushihara, Daisuke; Asaka, Toru, E-mail: asaka.toru@nitech.ac.jp; Frontier Research Institute for Materials Science, Nagoya Institute of Technology, Nagoya 466-8555

We investigated the crystal structure and ferroelectric domains of Bi{sub 4}Ti{sub 3}O{sub 12} (BTO) by means of transmission electron microscopy (TEM) and single-crystal X-ray diffractometry. From the extinction rule, we determined that the space group in the ferroelectric phase of BTO is P1a1 rather than B2cb and B1a1 which have been proposed previously. We successfully refined the crystal structure based on the space group P1a1. The 180° and 90° ferroelectric domain structures were observed by the [001]-zone dark-field TEM imaging. In the 180° domain structure, we determined that one component of the polarization vector is parallel to the a-axis. Anmore » annular bright-field scanning transmission electron microscopy (ABF-STEM) was performed for the direct observation of the crystal structures. The ABF-STEM images displayed the contrasts with respect to every atomic position in spite of the highly distorted structure of BTO. We could evaluate the tilting and distortion of the [TiO{sub 6}] octahedra relatively. Therefore, we directly observed the ferroelectric displacements of Bi and Ti ions.« less

Protection by and maintenance of CD4 effector memory and effector T cell subsets in persistent malaria infection.

PubMed

Opata, Michael M; Ibitokou, Samad A; Carpio, Victor H; Marshall, Karis M; Dillon, Brian E; Carl, Jordan C; Wilson, Kyle D; Arcari, Christine M; Stephens, Robin

2018-04-01

Protection at the peak of Plasmodium chabaudi blood-stage malaria infection is provided by CD4 T cells. We have shown that an increase in Th1 cells also correlates with protection during the persistent phase of malaria; however, it is unclear how these T cells are maintained. Persistent malaria infection promotes protection and generates both effector T cells (Teff), and effector memory T cells (Tem). We have previously defined new CD4 Teff (IL-7Rα-) subsets from Early (TeffEarly, CD62LhiCD27+) to Late (TeffLate, CD62LloCD27-) activation states. Here, we tested these effector and memory T cell subsets for their ability to survive and protect in vivo. We found that both polyclonal and P. chabaudi Merozoite Surface Protein-1 (MSP-1)-specific B5 TCR transgenic Tem survive better than Teff. Surprisingly, as Tem are associated with antigen persistence, Tem survive well even after clearance of infection. As previously shown during T cell contraction, TeffEarly, which can generate Tem, also survive better than other Teff subsets in uninfected recipients. Two other Tem survival mechanisms identified here are that low-level chronic infection promotes Tem both by driving their proliferation, and by programming production of Tem from Tcm. Protective CD4 T cell phenotypes have not been precisely determined in malaria, or other persistent infections. Therefore, we tested purified memory (Tmem) and Teff subsets in protection from peak pathology and parasitemia in immunocompromised recipient mice. Strikingly, among Tmem (IL-7Rαhi) subsets, only TemLate (CD62LloCD27-) reduced peak parasitemia (19%), though the dominant memory subset is TemEarly, which is not protective. In contrast, all Teff subsets reduced peak parasitemia by more than half, and mature Teff can generate Tem, though less. In summary, we have elucidated four mechanisms of Tem maintenance, and identified two long-lived T cell subsets (TemLate, TeffEarly) that may represent correlates of protection or a target for longer-lived vaccine-induced protection against malaria blood-stages.

Immunohistochemical analysis of macroautophagy: recommendations and limitations.

PubMed

Martinet, Wim; Schrijvers, Dorien M; Timmermans, Jean-Pierre; Bult, Hidde; De Meyer, Guido R Y

2013-03-01

Transmission electron microscopy (TEM) is an indispensable standard method to monitor macroautophagy in tissue samples. Because TEM is time consuming and not suitable for daily routine, many groups try to identify macroautophagy in tissue by conventional immunohistochemistry. The aim of the present study was to evaluate whether immunohistochemical assessment of macroautophagy-related marker proteins such as LC3, ATG5, CTSD/cathepsin D, BECN1/Beclin 1 or SQSTM1/p62 is feasible and autophagy-specific. For this purpose, livers from starved mice were used as a model because hepatocytes are highly sensitive to autophagy induction. ATG7-deficient mouse livers served as negative control. Our findings indicate that unambiguous immunodetection of LC3 in paraffin-embedded tissue specimens was hampered due to low in situ levels of this protein. Maximum sensitivity could only be obtained using high-quality, isoform-specific antibodies, such as antibody 5F10, in combination with Envision+ signal amplification. Moreover, LC3 stains were optimal in neutral-buffered formalin-fixed tissue, immersed in citrate buffer during antigen retrieval. However, even when using this methodology, LC3 monitoring required overexpression of the protein, e.g., in GFP-LC3 transgenic mice. This was not only the case for the liver but also for other organs including heart, skeletal muscle, kidney and gut. Immunohistochemical detection of the autophagy-related proteins ATG5, CTSD or BECN1 is not recommendable for monitoring autophagy, due to lack of differential gene expression or doubtful specificity. SQSTM1 accumulated in autophagy-deficient liver, thus it is not a useful marker for tissue with autophagic activity. We conclude that TEM remains an indispensable technique for in situ evaluation of macroautophagy, particularly in clinical samples for which genetic manipulation or other in vitro techniques are not feasible.

Immunohistochemical analysis of macroautophagy

PubMed Central

Martinet, Wim; Schrijvers, Dorien M.; Timmermans, Jean-Pierre; Bult, Hidde; De Meyer, Guido R.Y.

2013-01-01

Transmission electron microscopy (TEM) is an indispensable standard method to monitor macroautophagy in tissue samples. Because TEM is time consuming and not suitable for daily routine, many groups try to identify macroautophagy in tissue by conventional immunohistochemistry. The aim of the present study was to evaluate whether immunohistochemical assessment of macroautophagy-related marker proteins such as LC3, ATG5, CTSD/cathepsin D, BECN1/Beclin 1 or SQSTM1/p62 is feasible and autophagy-specific. For this purpose, livers from starved mice were used as a model because hepatocytes are highly sensitive to autophagy induction. ATG7-deficient mouse livers served as negative control. Our findings indicate that unambiguous immunodetection of LC3 in paraffin-embedded tissue specimens was hampered due to low in situ levels of this protein. Maximum sensitivity could only be obtained using high-quality, isoform-specific antibodies, such as antibody 5F10, in combination with Envision+ signal amplification. Moreover, LC3 stains were optimal in neutral-buffered formalin-fixed tissue, immersed in citrate buffer during antigen retrieval. However, even when using this methodology, LC3 monitoring required overexpression of the protein, e.g., in GFP-LC3 transgenic mice. This was not only the case for the liver but also for other organs including heart, skeletal muscle, kidney and gut. Immunohistochemical detection of the autophagy-related proteins ATG5, CTSD or BECN1 is not recommendable for monitoring autophagy, due to lack of differential gene expression or doubtful specificity. SQSTM1 accumulated in autophagy-deficient liver, thus it is not a useful marker for tissue with autophagic activity. We conclude that TEM remains an indispensable technique for in situ evaluation of macroautophagy, particularly in clinical samples for which genetic manipulation or other in vitro techniques are not feasible. PMID:23242143

Microscopic and spectroscopic characterization of humic substances from a compost amended copper contaminated soil: main features and their potential effects on Cu immobilization.

PubMed

Medina, Jorge; Monreal, Carlos; Chabot, Denise; Meier, Sebastián; González, María Eugenia; Morales, Esteban; Parillo, Rita; Borie, Fernando; Cornejo, Pablo

2017-06-01

We characterized humic substances (HS) extracted from a Cu-contaminated soil without compost addition (C) or amended with a wheat straw-based compost (WSC) (H1), co-composted with Fe 2 O 3 (H2), or co-composted with an allophane-rich soil (H3). Extracted HS were characterized under electron microscopy (SEM/TEM), energy-dispersive X-ray (X-EDS), and Fourier transform infrared (FTIR) spectroscopy. In addition, HS extracted from WSC (H4) were characterized at pH 4.0 and 8.0 with descriptive purposes. At pH 4.0, globular structures of H4 were observed, some of them aggregating within a large network. Contrariwise, at pH 8.0, long tubular and disaggregated structures prevailed. TEM microscopy suggests organo-mineral interactions at scales of 1 to 200 nm with iron oxide nanoparticles. HS extracted from soil-compost incubations showed interactions at nanoscale with minerals and crystal compounds into the organic matrix of HS. Bands associated to acidic functional groups of HS may suggest potential sorption interactions with transition metals. We conclude that metal ions and pH have an important role controlling the morphology and configuration of HS from WSC. Characterization of H4 extracted from WSC showed that physicochemical protection of HS could be present in composting systems treated with inorganic materials. Finally, the humified fractions obtained from compost-amended soils may have an important effect on metal-retention, supporting their potential use in metal-contaminated soils.

Effects of aerobic exercise and dietary carbohydrate on energy expenditure and body composition during weight reduction in obese women.

PubMed

Racette, S B; Schoeller, D A; Kushner, R F; Neil, K M; Herling-Iaffaldano, K

1995-03-01

To test the benefits of aerobic exercise and dietary carbohydrate during reduced-energy feeding, 23 obese women (44 +/- 4% fat) were randomly assigned to either aerobic exercise (Ex) or no exercise (Nx), and to a low-fat (LF) or low-carbohydrate (LC) reducing diet (5.00 +/- 0.56 MJ/d) for 12 wk. Changes in body composition, postabsorptive resting metabolic rate (RMR), thermic effect of a meal (TEM), and total daily energy expenditure (TDEE) were measured by respiratory gas exchange and doubly labeled water. Significant effects of Ex included a greater loss of fat mass (Ex: -8.8 +/- 2.1 vs Nx: -6.1 +/- 2.3 kg, P = 0.008) and maintenance of TDEE (Ex: +0.07 +/- 1.23 vs Nx: -1.46 +/- 1.04 MJ/d, P = 0.004), due to a difference in physical activity (Ex: +0.75 +/- 1.06 vs Nx: -0.61 +/- 1.03 MJ/d, P = 0.006), which was not attributable solely to the Ex sessions. RMR in both groups decreased comparably (-0.54 MJ/d), and TEM (% of meal) did not change. Diet composition did not significantly influence body composition or energy expenditure changes, but a greater weight loss was observed after the LC than after the LF (-10.6 +/- 2.0 vs -8.1 +/- 3.0 kg, P = 0.037) diet. The addition of aerobic exercise to a low-energy diet was beneficial in the treatment of moderate obesity because of its favorable effects on body composition, physical activity, and TDEE.

Adaptive Implicit Non-Equilibrium Radiation Diffusion

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

Philip, Bobby; Wang, Zhen; Berrill, Mark A

2013-01-01

We describe methods for accurate and efficient long term time integra- tion of non-equilibrium radiation diffusion systems: implicit time integration for effi- cient long term time integration of stiff multiphysics systems, local control theory based step size control to minimize the required global number of time steps while control- ling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

Exploring the potential reservoirs of non specific TEM beta lactamase (bla(TEM)) gene in the Indo-Gangetic region: A risk assessment approach to predict health hazards.

PubMed

Singh, Gulshan; Vajpayee, Poornima; Rani, Neetika; Amoah, Isaac Dennis; Stenström, Thor Axel; Shanker, Rishi

2016-08-15

The emergence of antimicrobial resistant bacteria is an important public health and environmental contamination issue. Antimicrobials of β-lactam group accounts for approximately two thirds, by weight, of all antimicrobials administered to humans due to high clinical efficacy and low toxicity. This study explores β-lactam resistance determinant gene (blaTEM) as emerging contaminant in Indo-Gangetic region using qPCR in molecular beacon format. Quantitative Microbial Risk Assessment (QMRA) approach was adopted to predict risk to human health associated with consumption/exposure of surface water, potable water and street foods contaminated with bacteria having blaTEM gene. It was observed that surface water and sediments of the river Ganga and Gomti showed high numbers of blaTEM gene copies and varied significantly (p<0.05) among the sampling locations. The potable water collected from drinking water facility and clinical settings exhibit significant number of blaTEM gene copies (13±0.44-10200±316 gene copies/100mL). It was observed that E.crassipes among aquatic flora encountered in both the rivers had high load of blaTEM gene copies. The information on prevalence of environmental reservoirs of blaTEM gene containing bacteria in Indo-Gangetic region and risk associated will be useful for formulating strategies to protect public from menace of clinical risks linked with antimicrobial resistant bacteria. Copyright © 2016 Elsevier B.V. All rights reserved.

Hydrogen sulfide promotes autophagy of hepatocellular carcinoma cells through the PI3K/Akt/mTOR signaling pathway.

PubMed

Wang, Shanshan S; Chen, Yuhan H; Chen, Ning; Wang, Lijun J; Chen, Dexi X; Weng, Honglei L; Dooley, Steven; Ding, Huiguo G

2017-03-23

Hydrogen sulfide (H 2 S), in its gaseous form, plays an important role in tumor carcinogenesis. This study investigated the effects of H 2 S on the cell biological functions of hepatocellular carcinoma (HCC). HCC cell lines, HepG2 and HLE, were treated with NaHS, a donor of H 2 S, and rapamycin, a classic autophagy inducer, for different lengths of time. Western blotting, immunofluorescence, transmission electron microscopy (TEM), scratch assay, CCK-8 and flow cytometric analysis were carried out to examine the effects of H 2 S on HCC autophagy, cell behavior and PI3K/Akt/mTOR signaling. Treatment with NaHS upregulated expression of LC3-II and Atg5, two autophagy-related proteins, in HepG2 and HLE cells. TEM revealed increased numbers of intracellular double-membrane vesicles in those cells treated with NaHS. Like rapamycin, NaHS also significantly inhibited expression of p-PI3K, p-Akt and mTOR proteins in HCC cells. Interestingly, the expression of LC3-II was further increased when the cells were treated with NaHS together with rapamycin. In addition, NaHS inhibited HCC cell migration, proliferation and cell division. These findings show that H 2 S can induce HCC cell apoptosis. The biological function of the gasotransmitter H 2 S in HCC cells was enhanced by the addition of rapamycin. Hydrogen sulfide influences multiple biological functions of HCC cells through inhibiting the PI3K/Akt/mTOR signaling pathway.

Effect of Material Property Variations at Near Critical Thermodynamic Conditions on Pipe Flow Heat Transfer

NASA Astrophysics Data System (ADS)

Barney, Rebecca; Nourgaliev, Robert; Delplanque, Jean-Pierre; McCallen, Rose

2017-11-01

Heat transfer is quantified and contrasted for the Poiseuille flow of a fluid at both subcritical and supercritical thermodynamic conditions in a circular pipe subject to a uniform wall heat flux. The conditions considered are relevant to Supercritical Water Reactor (SCWR) applications. In the supercritical thermodynamic regime, a fluid can exhibit large density variations of density, thermal conductivity, and viscosity, which will affect flow and heat transfer characteristics significantly. An advanced equation of state for supercritical water was implemented in a 2D and 3D Arbitrary Lagrangian-Eurlerian multi-physics simulation tool called ALE3D developed at Lawrence Livermore National Laboratory. A newly developed, robust, high-order in space and time, fully implicit reconstructed discontinuous Galerkin (rDG) method is used to enable the numerical simulation of convective heat transfer with supercritical water. Results demonstrate the capability of this approach to accurately capture the non-linear behavior and enhanced heat transfer with supercritical water. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Information management release number LLNL-ABS-736004. Work is supported by the Integrated University Program Graduate Fellowship. Opinions, findings, conclusions or recommendations expressed are of the authors and do not necessarily reflect the views of DOE office of NE.

Research and Development of Multiphysics Models in Support of the Conversion of the High Flux Isotope Reactor to Low Enriched Uranium Fuel

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

Bodey, Isaac T.; Curtis, Franklin G.; Arimilli, Rao V.

The findings presented in this report are results of a five year effort led by the RRD Division of the ORNL, which is focused on research and development toward the conversion of the High Flux Isotope Reactor (HFIR) fuel from high-enriched uranium (HEU) to low-enriched uranium (LEU). This report focuses on the tasks accomplished by the University of Tennessee Knoxville (UTK) team from the Department of Mechanical, Aerospace, and Biomedical Engineering (MABE) that provided expert support in multiphysics modeling of complex problems associated with the LEU conversion of the HFIR reactor. The COMSOL software was used as the main computationalmore » modeling tool, whereas Solidworks was also used in support of computer-aided-design (CAD) modeling of the proposed LEU fuel design. The UTK research has been governed by a statement of work (SOW), which was updated annually to clearly define the specific tasks reported herein. Ph.D. student Isaac T. Bodey has focused on heat transfer and fluid flow modeling issues and has been aided by his major professor Dr. Rao V. Arimilli. Ph.D. student Franklin G. Curtis has been focusing on modeling the fluid-structure interaction (FSI) phenomena caused by the mechanical forces acting on the fuel plates, which in turn affect the fluid flow in between the fuel plates, and ultimately the heat transfer, is also affected by the FSI changes. Franklin Curtis has been aided by his major professor Dr. Kivanc Ekici. M.Sc. student Adam R. Travis has focused two major areas of research: (1) on accurate CAD modeling of the proposed LEU plate design, and (2) reduction of the model complexity and dimensionality through interdimensional coupling of the fluid flow and heat transfer for the HFIR plate geometry. Adam Travis is also aided by his major professor, Dr. Kivanc Ekici. We must note that the UTK team, and particularly the graduate students, have been in very close collaboration with Dr. James D. Freels (ORNL technical monitor and mentor) and have benefited greatly from his leadership and expertise in COMSOL modeling of complex physical phenomena. Both UTK and ORNL teams have used COMSOL releases 3.4 through 5.0 inclusive (with particular emphasis on 3.5a, 4.3a, 4.3b, and 4.4) for most of the work described in this report, except where stated otherwise. Just as in the performance of the research, each of the respective sections has been originally authored by respective authors. Therefore, the reader will observe a contrast in writing style throughout this document.« less

Substrate effects on the epitaxial growth of ZnGeP2 thin films by open tube organometallic chemical vapor deposition

NASA Technical Reports Server (NTRS)

Xing, G. C.; Bachmann, K. J.; Posthill, J. B.; Timmons, M. L.

1991-01-01

Epitaxial ZnGeP2-Ge films have been grown on (111)GaP substrates using MOCVD. The films grown with dimethylzinc to germane flow rate ratio R greater than 10 show mirror-smooth surface morphology. Films grown with R less than 10 show a high density of twinning, including both double position and growth twins. Compared to films grown on (001) GaP substrates, the layers on (111) GaP generally show a higher density of microstructural defects. TEM electron diffraction patterns show that the films grown on (111) GaP substrates are more disordered than films grown on (001) GaP under comparable conditions. The growth rate on (111) GaP substrates is about 2.5 times slower than that on (001) GaP, and films grown on Si substrates show extensive twinning formation. Both TEM and SEM examinations indicate that smooth epitaxial overgrowth may be easier on (111) Si substrates than on (001) Si.

Efficient decomposition of benzene over a beta-Ga2O3 photocatalyst under ambient conditions.

PubMed

Hou, Yidong; Wang, Xinchen; Wu, Ling; Ding, Zhengxin; Fu, Xianzhi

2006-09-15

A porous beta-Ga2O3 photocatalyst has been successfully prepared. The photocatalyst was characterized by XRD, N2 adsorption-desorption, TEM, UV/vis, and FTIR techniques. The photocatalytic activity of the sample was evaluated by the decomposition of benzene in air under UV light illumination and was compared with that of the commercial titania (Degussa P25) and Pt/P25. Results revealed that the synthesized Ga2O3 was porous beta-Ga2O3 and was highly photoactive for mineralizing benzene and its derivatives (e.g., toluene and ethylbenzene) to CO2 under ambient conditions. The photocatalytic conversion of benzene over beta-Ga2O3 was about 1 order of magnitude higher than that over P25, and no obvious deactivation of beta-Ga2O3 was observed during the prolonged operation of 80 h. The high activity and long-term stability of the Ga2O3 have been ascribed to its stronger oxidative capability and higher specific surface area in comparison with P25.

Lattice Boltzmann modeling of transport phenomena in fuel cells and flow batteries

NASA Astrophysics Data System (ADS)

Xu, Ao; Shyy, Wei; Zhao, Tianshou

2017-06-01

Fuel cells and flow batteries are promising technologies to address climate change and air pollution problems. An understanding of the complex multiscale and multiphysics transport phenomena occurring in these electrochemical systems requires powerful numerical tools. Over the past decades, the lattice Boltzmann (LB) method has attracted broad interest in the computational fluid dynamics and the numerical heat transfer communities, primarily due to its kinetic nature making it appropriate for modeling complex multiphase transport phenomena. More importantly, the LB method fits well with parallel computing due to its locality feature, which is required for large-scale engineering applications. In this article, we review the LB method for gas-liquid two-phase flows, coupled fluid flow and mass transport in porous media, and particulate flows. Examples of applications are provided in fuel cells and flow batteries. Further developments of the LB method are also outlined.

"METHOD": A tool for mechanical, electrical, thermal, and optical characterization of single lens module design

NASA Astrophysics Data System (ADS)

Besson, Pierre; Dominguez, Cesar; Voarino, Philippe; Garcia-Linares, Pablo; Weick, Clement; Lemiti, Mustapha; Baudrit, Mathieu

2015-09-01

The optical characterization and electrical performance evaluation are essential in the design and optimization of a concentrator photovoltaic system. The geometry, materials, and size of concentrator optics are diverse and different environmental conditions impact their performance. CEA has developed a new concentrator photovoltaic system characterization bench, METHOD, which enables multi-physics optimization studies. The lens and cell temperatures are controlled independently with the METHOD to study their isolated effects on the electrical and optical performance of the system. These influences can be studied in terms of their effect on optical efficiency, focal distance, spectral sensitivity, electrical efficiency, or cell current matching. Furthermore, the irradiance map of a concentrator optic can be mapped to study its variations versus the focal length or the lens temperature. The present work shows this application to analyze the performance of a Fresnel lens linking temperature to optical and electrical performance.

Guided self-assembly of magnetic beads for biomedical applications

NASA Astrophysics Data System (ADS)

Gusenbauer, Markus; Nguyen, Ha; Reichel, Franz; Exl, Lukas; Bance, Simon; Fischbacher, Johann; Özelt, Harald; Kovacs, Alexander; Brandl, Martin; Schrefl, Thomas

2014-02-01

Micromagnetic beads are widely used in biomedical applications for cell separation, drug delivery, and hyperthermia cancer treatment. Here we propose to use self-organized magnetic bead structures which accumulate on fixed magnetic seeding points to isolate circulating tumor cells. The analysis of circulating tumor cells is an emerging tool for cancer biology research and clinical cancer management including the detection, diagnosis and monitoring of cancer. Microfluidic chips for isolating circulating tumor cells use either affinity, size or density capturing methods. We combine multiphysics simulation techniques to understand the microscopic behavior of magnetic beads interacting with soft magnetic accumulation points used in lab-on-chip technologies. Our proposed chip technology offers the possibility to combine affinity and size capturing with special antibody-coated bead arrangements using a magnetic gradient field created by Neodymium Iron Boron permanent magnets. The multiscale simulation environment combines magnetic field computation, fluid dynamics and discrete particle dynamics.

Extracting Damping Ratio from Dynamic Data and Numerical Solutions

NASA Technical Reports Server (NTRS)

Casiano, M. J.

2016-01-01

There are many ways to extract damping parameters from data or models. This Technical Memorandum provides a quick reference for some of the more common approaches used in dynamics analysis. Described are six methods of extracting damping from data: the half-power method, logarithmic decrement (decay rate) method, an autocorrelation/power spectral density fitting method, a frequency response fitting method, a random decrement fitting method, and a newly developed half-quadratic gain method. Additionally, state-space models and finite element method modeling tools, such as COMSOL Multiphysics (COMSOL), provide a theoretical damping via complex frequency. Each method has its advantages which are briefly noted. There are also likely many other advanced techniques in extracting damping within the operational modal analysis discipline, where an input excitation is unknown; however, these approaches discussed here are objective, direct, and can be implemented in a consistent manner.

High-resolution coupled physics solvers for analysing fine-scale nuclear reactor design problems.

PubMed

Mahadevan, Vijay S; Merzari, Elia; Tautges, Timothy; Jain, Rajeev; Obabko, Aleksandr; Smith, Michael; Fischer, Paul

2014-08-06

An integrated multi-physics simulation capability for the design and analysis of current and future nuclear reactor models is being investigated, to tightly couple neutron transport and thermal-hydraulics physics under the SHARP framework. Over several years, high-fidelity, validated mono-physics solvers with proven scalability on petascale architectures have been developed independently. Based on a unified component-based architecture, these existing codes can be coupled with a mesh-data backplane and a flexible coupling-strategy-based driver suite to produce a viable tool for analysts. The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. The coupling methodology and software interfaces of the framework are presented, along with verification studies on two representative fast sodium-cooled reactor demonstration problems to prove the usability of the SHARP framework.

Particle Laden Turbulence in a Radiation Environment Using a Portable High Preformace Solver Based on the Legion Runtime System

NASA Astrophysics Data System (ADS)

Torres, Hilario; Iaccarino, Gianluca

2017-11-01

Soleil-X is a multi-physics solver being developed at Stanford University as a part of the Predictive Science Academic Alliance Program II. Our goal is to conduct high fidelity simulations of particle laden turbulent flows in a radiation environment for solar energy receiver applications as well as to demonstrate our readiness to effectively utilize next generation Exascale machines. The novel aspect of Soleil-X is that it is built upon the Legion runtime system to enable easy portability to different parallel distributed heterogeneous architectures while also being written entirely in high-level/high-productivity languages (Ebb and Regent). An overview of the Soleil-X software architecture will be given. Results from coupled fluid flow, Lagrangian point particle tracking, and thermal radiation simulations will be presented. Performance diagnostic tools and metrics corresponding the the same cases will also be discussed. US Department of Energy, National Nuclear Security Administration.

High-fidelity plasma codes for burn physics

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

Cooley, James; Graziani, Frank; Marinak, Marty

Accurate predictions of equation of state (EOS), ionic and electronic transport properties are of critical importance for high-energy-density plasma science. Transport coefficients inform radiation-hydrodynamic codes and impact diagnostic interpretation, which in turn impacts our understanding of the development of instabilities, the overall energy balance of burning plasmas, and the efficacy of self-heating from charged-particle stopping. Important processes include thermal and electrical conduction, electron-ion coupling, inter-diffusion, ion viscosity, and charged particle stopping. However, uncertainties in these coefficients are not well established. Fundamental plasma science codes, also called high-fidelity plasma codes, are a relatively recent computational tool that augments both experimental datamore » and theoretical foundations of transport coefficients. This paper addresses the current status of HFPC codes and their future development, and the potential impact they play in improving the predictive capability of the multi-physics hydrodynamic codes used in HED design.« less

Magnetic biosensors: Modelling and simulation.

PubMed

Nabaei, Vahid; Chandrawati, Rona; Heidari, Hadi

2018-04-30

In the past few years, magnetoelectronics has emerged as a promising new platform technology in various biosensors for detection, identification, localisation and manipulation of a wide spectrum of biological, physical and chemical agents. The methods are based on the exposure of the magnetic field of a magnetically labelled biomolecule interacting with a complementary biomolecule bound to a magnetic field sensor. This Review presents various schemes of magnetic biosensor techniques from both simulation and modelling as well as analytical and numerical analysis points of view, and the performance variations under magnetic fields at steady and nonstationary states. This is followed by magnetic sensors modelling and simulations using advanced Multiphysics modelling software (e.g. Finite Element Method (FEM) etc.) and home-made developed tools. Furthermore, outlook and future directions of modelling and simulations of magnetic biosensors in different technologies and materials are critically discussed. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

High-resolution coupled physics solvers for analysing fine-scale nuclear reactor design problems

PubMed Central

Mahadevan, Vijay S.; Merzari, Elia; Tautges, Timothy; Jain, Rajeev; Obabko, Aleksandr; Smith, Michael; Fischer, Paul

2014-01-01

An integrated multi-physics simulation capability for the design and analysis of current and future nuclear reactor models is being investigated, to tightly couple neutron transport and thermal-hydraulics physics under the SHARP framework. Over several years, high-fidelity, validated mono-physics solvers with proven scalability on petascale architectures have been developed independently. Based on a unified component-based architecture, these existing codes can be coupled with a mesh-data backplane and a flexible coupling-strategy-based driver suite to produce a viable tool for analysts. The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. The coupling methodology and software interfaces of the framework are presented, along with verification studies on two representative fast sodium-cooled reactor demonstration problems to prove the usability of the SHARP framework. PMID:24982250

Preparation and photo-catalytic activities of FeOOH/ZnO/MMT composite

NASA Astrophysics Data System (ADS)

Zhou, Yao; Liu, Fusheng; Yu, Shitao

2015-11-01

Montmorillonite (MMT) was used as the carrier for synthesis of FeOOH and FeOOH/ZnO nano-material. FeOOH and FeOOH/ZnO were synthesized by the aqueous solutions of Fe(NO3)3-HNO3 and Zn(NO3)2-NaOH/Fe(NO3)3-HNO3 with the carrier of montmorillonite respectively. Transmission electron-microscopy (TEM) and X-ray diffraction (XRD) were used to study the morphology form and structure of the nano-materials. TEM was also used to demonstrate that FeOOH/ZnO can be formed with the appropriate interface. According to UV-vis absorption spectra, FeOOH/ZnO has a better response to visible light than FeOOH and ZnO, which indicates there is some coupling effect between FeOOH and ZnO. Pentachlorophenol (PCP) was used as a representative organic pollutant to evaluate the photo-catalytic efficiency of the FeOOH/ZnO and FeOOH catalysts in visible light (λ > 400 nm). The photo-catalytic efficiency of FeOOH/ZnO/MMT is better than FeOOH/MMT. According to FTIR, changes of pH and TOC, the degradation mechanism was also discussed. PCP was degraded to aromatic ketone and chloro-hydrocarbon compounds and then to H2O, CO2 and HCl.

Bioaccumulation characterization of uranium by a novel Streptomyces sporoverrucosus dwc-3.

PubMed

Li, Xiaolong; Ding, Congcong; Liao, Jiali; Du, Liang; Sun, Qun; Yang, Jijun; Yang, Yuanyou; Zhang, Dong; Tang, Jun; Liu, Ning

2016-03-01

The biosorption mechanisms of uranium on an aerobic bacterial strain Streptomyces sporoverrucosus dwc-3, isolated from a potential disposal site for (ultra-)low uraniferous radioactive waste in Southwest China, were evaluated by using transmission electron microscopy (TEM), energy dispersive X-ray (EDX) analysis, Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), proton induced X-ray emission (PIXE) and enhanced proton backscattering spectrometry (EPBS). Approximately 60% of total uranium at an initial concentration of 10mg/L uranium nitrate solution could be absorbed on 100mg S. sporoverrucosus dwc-3 with an adsorption capacity of more than 3.0mg/g (wet weight) after 12hr at room temperature at pH3.0. The dynamic biosorption process of S. sporoverrucosus dwc-3 for uranyl ions was well described by a pseudo second-order model. S. sporoverrucosus dwc-3 could accumulate uranium on cell walls and within the cell, as revealed by SEM and TEM analysis as well as EDX spectra. XPS and FT-IR analysis further suggested that the absorbed uranium was bound to amino, phosphate and carboxyl groups of the cells. Additionally, PIXE and EPBS results confirmed that ion exchange also contributed to the adsorption process of uranium. Copyright © 2015. Published by Elsevier B.V.

Frequency and time domain three-dimensional inversion of electromagnetic data for a grounded-wire source

NASA Astrophysics Data System (ADS)

Sasaki, Yutaka; Yi, Myeong-Jong; Choi, Jihyang; Son, Jeong-Sul

2015-01-01

We present frequency- and time-domain three-dimensional (3-D) inversion approaches that can be applied to transient electromagnetic (TEM) data from a grounded-wire source using a PC. In the direct time-domain approach, the forward solution and sensitivity were obtained in the frequency domain using a finite-difference technique, and the frequency response was then Fourier-transformed using a digital filter technique. In the frequency-domain approach, TEM data were Fourier-transformed using a smooth-spectrum inversion method, and the recovered frequency response was then inverted. The synthetic examples show that for the time derivative of magnetic field, frequency-domain inversion of TEM data performs almost as well as time-domain inversion, with a significant reduction in computational time. In our synthetic studies, we also compared the resolution capabilities of the ground and airborne TEM and controlled-source audio-frequency magnetotelluric (CSAMT) data resulting from a common grounded wire. An airborne TEM survey at 200-m elevation achieved a resolution for buried conductors almost comparable to that of the ground TEM method. It is also shown that the inversion of CSAMT data was able to detect a 3-D resistivity structure better than the TEM inversion, suggesting an advantage of electric-field measurements over magnetic-field-only measurements.

Computational study of 3-D hot-spot initiation in shocked insensitive high-explosive

NASA Astrophysics Data System (ADS)

Najjar, F. M.; Howard, W. M.; Fried, L. E.; Manaa, M. R.; Nichols, A., III; Levesque, G.

2012-03-01

High-explosive (HE) material consists of large-sized grains with micron-sized embedded impurities and pores. Under various mechanical/thermal insults, these pores collapse generating hightemperature regions leading to ignition. A hydrodynamic study has been performed to investigate the mechanisms of pore collapse and hot spot initiation in TATB crystals, employing a multiphysics code, ALE3D, coupled to the chemistry module, Cheetah. This computational study includes reactive dynamics. Two-dimensional high-resolution large-scale meso-scale simulations have been performed. The parameter space is systematically studied by considering various shock strengths, pore diameters and multiple pore configurations. Preliminary 3-D simulations are undertaken to quantify the 3-D dynamics.

A Multi-Scale, Multi-Physics Optimization Framework for Additively Manufactured Structural Components

NASA Astrophysics Data System (ADS)

El-Wardany, Tahany; Lynch, Mathew; Gu, Wenjiong; Hsu, Arthur; Klecka, Michael; Nardi, Aaron; Viens, Daniel

This paper proposes an optimization framework enabling the integration of multi-scale / multi-physics simulation codes to perform structural optimization design for additively manufactured components. Cold spray was selected as the additive manufacturing (AM) process and its constraints were identified and included in the optimization scheme. The developed framework first utilizes topology optimization to maximize stiffness for conceptual design. The subsequent step applies shape optimization to refine the design for stress-life fatigue. The component weight was reduced by 20% while stresses were reduced by 75% and the rigidity was improved by 37%. The framework and analysis codes were implemented using Altair software as well as an in-house loading code. The optimized design was subsequently produced by the cold spray process.

Multi-Physics MRI-Based Two-Layer Fluid-Structure Interaction Anisotropic Models of Human Right and Left Ventricles with Different Patch Materials: Cardiac Function Assessment and Mechanical Stress Analysis

PubMed Central

Tang, Dalin; Yang, Chun; Geva, Tal; Gaudette, Glenn; del Nido, Pedro J.

2011-01-01

Multi-physics right and left ventricle (RV/LV) fluid-structure interaction (FSI) models were introduced to perform mechanical stress analysis and evaluate the effect of patch materials on RV function. The FSI models included three different patch materials (Dacron scaffold, treated pericardium, and contracting myocardium), two-layer construction, fiber orientation, and active anisotropic material properties. The models were constructed based on cardiac magnetic resonance (CMR) images acquired from a patient with severe RV dilatation and solved by ADINA. Our results indicate that the patch model with contracting myocardium leads to decreased stress level in the patch area, improved RV function and patch area contractility. PMID:21765559

Multi-physics optimization of three-dimensional microvascular polymeric components

NASA Astrophysics Data System (ADS)

Aragón, Alejandro M.; Saksena, Rajat; Kozola, Brian D.; Geubelle, Philippe H.; Christensen, Kenneth T.; White, Scott R.

2013-01-01

This work discusses the computational design of microvascular polymeric materials, which aim at mimicking the behavior found in some living organisms that contain a vascular system. The optimization of the topology of the embedded three-dimensional microvascular network is carried out by coupling a multi-objective constrained genetic algorithm with a finite-element based physics solver, the latter validated through experiments. The optimization is carried out on multiple conflicting objective functions, namely the void volume fraction left by the network, the energy required to drive the fluid through the network and the maximum temperature when the material is subjected to thermal loads. The methodology presented in this work results in a viable alternative for the multi-physics optimization of these materials for active-cooling applications.

Immune responses and expression of the virus-like particle antigen of the porcine encephalomyocarditis virus.

PubMed

Jeoung, Hye-Young; Lee, Won-Ha; Jeong, Wooseog; Ko, Young-Joon; Choi, Cheong-Up; An, Dong-Jun

2010-10-01

Virus-like particles (VLPs) are particles that consist of viral capsid proteins and are structurally similar to authentic virus. To express VLPs of the porcine encephalomyocarditis virus (EMCV) and investigate their efficacy and immuno response in vivo, a plasmid (P12A3C-pCI) containing the P12A and 3C genes of the EMCV-K3 viral strain was constructed. The VLPs of EMCV-K3 were successfully assembled in 293FT cells on 3 days after transfection with P12A3C-pCI and were identified as particles of about 30-40 nm using transmission electron microscopy (TEM). In an in vivo experiment, the murine cytokines induced by VLPs of naked DNA vaccine showed that the Th1 indicators IL-2, TNF-alpha and GM-CSF, and the Th2 indicators IL-4 and IL-10 were increased. The immunization of mice with the P12A3C-pCI plasmid induced high levels of neutralizing antibody from 128- to 256-fold and led to a significant protection ratio (90%) after challenge with EMCV-K3 (wild-type strain). These VLPs may represent a novel vaccine strategy for the control of EMCV infection on pig farms. 2010 Elsevier Ltd. All rights reserved.

A Tool Chain for the V and V of NASA Cryogenic Fuel Loading Health Management

DTIC Science & Technology

2014-10-02

Here, K. (2011). Formal testing for separation assurance. Ann. Math. Artif . Intell., 63(1), 5–30. Goodrich, C., Narasimhan, S., Daigle, M...Probabilistic Reasoning in Intelligent Sys- tems: Networks of plausible inference Morgan Kauf- mann: . Reed, E., Schumann, J., & Mengshoel, O. (2011

HR-TEM and FT-Raman dataset of the caffeine interacted Phe-Phe peptide nanotube for possible sensing applications.

PubMed

Narayanan, A Lakshmi; Dhamodaran, M; Solomon, J Samu; Karthikeyan, B; Govindhan, R

2018-02-01

Sensing ability of caffeine interaction with Phe-Phe annotates (PNTs), is presented (Govindhan et al., 2017; Karthikeyan et al., 2014; Tavagnacco et al., 2013; Kennedy et al., 2011; Wang et al., 2017) [1-5] in this data set. Investigation of synthesized caffeine carrying peptide nanotubes are carried out by FT-Raman spectral analysis and high resolution transmission electron microscopy (HR-TEM). Particle size of the caffeine loaded PNTs is < 40 nm. The FT-Raman spectrum signals are enhanced in the region of 400-1700 cm -1 . These data are ideal tool for the applications like biosensing and drug delivery research (DDS).

Compressive Classification for TEM-EELS

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

Hao, Weituo; Stevens, Andrew; Yang, Hao

Electron energy loss spectroscopy (EELS) is typically conducted in STEM mode with a spectrometer, or in TEM mode with energy selction. These methods produce a 3D data set (x, y, energy). Some compressive sensing [1,2] and inpainting [3,4,5] approaches have been proposed for recovering a full set of spectra from compressed measurements. In many cases the final form of the spectral data is an elemental map (an image with channels corresponding to elements). This means that most of the collected data is unused or summarized. We propose a method to directly recover the elemental map with reduced dose and acquisitionmore » time. We have designed a new computational TEM sensor for compressive classification [6,7] of energy loss spectra called TEM-EELS.« less

Induction of Th1 polarized immune responses by thiolated Eudragit-coated F4 and F18 fimbriae of enterotoxigenic Escherichia coli.

PubMed

Lee, Won-Jung; Cha, Seungbin; Shin, Minkyoung; Islam, Mohammad Ariful; Cho, Chong-su; Yoo, Han Sang

2011-10-01

Diarrhea in newborn and weaned piglets is mainly induced by enterotoxigenic Escherichia coli (ETEC) with fimbriae F4 (K88) and F18 (F107). In this study, we evaluated F4 and F18 coated with thiolated Eudragit microspheres (TEMS) as a candidate for an oral vaccine. The average particle sizes of TEMS, F4-loaded TEMS, and F18-loaded TEMS were measured as 4.2±0.75 μm, 4.7±0.50 μm, and 4.5±0.37 μm, respectively. F4 is more efficiently encapsulated than F18 in the loading with TEMS. In the release test, F4 and F18 fimbriae were protected in acidic circumstances, whereas most were released at pH 7.4 of intestine circumstances. Production of TNF-α and NO from RAW 264.7 cells was increased in a time-dependent manner after exposure to all groups, whereas only F4- or F18-loaded TEMS-stimulated IL-6 secretion. The levels of IFN-γ from mouse splenocytes after exposure to F4 or F18 were increased while IL-4 was not detectable. These results suggest that F4- and F18-loaded TEMS may effectively induce immune response with the efficient release of antigens to appropriate target sites. Copyright © 2011 Elsevier B.V. All rights reserved.

A pilot, randomised controlled trial of a rotational thromboelastometry-based algorithm to treat bleeding episodes in extracorporeal life support: the TEM Protocol in ECLS Study (TEMPEST).

PubMed

Buscher, Hergen; Zhang, David; Nair, Priya

2017-10-01

Minimal evidence to guide haemostatic therapy for bleeding in extracorporeal life support (ECLS) has resulted in wide variability in practice. We aimed to show that a goal-directed algorithm incorporating results from thromboelastometry (TEM) is feasible and safe for the timely management of bleeding episodes in adult patients receiving ECLS. A pilot randomised controlled trial involving 16 adult patients who underwent ECLS, randomised over 10 months. The intervention group was treated according to a goal-directed algorithm based on TEM results during bleeding episodes. Apart from the intervention, both groups received standard care including conventional laboratory coagulation tests. Need for blood product transfusion, haemorrhagic and thromboembolic complications and survival. There was a statistically non-significant trend towards reduction in the amount of blood products transfused, occurrence of bleeding, and thrombotic complications, when comparing the intervention arm with the control arm. Survival to hospital discharge was 69%. A significant correlation was found between fibrinogen levels and FIBTEM clot firmness at 10 minutes (R = 0.812; P < 0.001); activated partial thromboplastin time and clotting time HEPTEM/INTEM ratio (R = -0.719; P < 0.001); and platelet count and EXTEM clot firmness at 10 minutes (R = 0.783; P < 0.001). TEM allows assessment for coagulation status in a timely manner and its use for the treatment of bleeding episodes in adult patients receiving ECLS appears feasible and safe. Clinical benefit should be investigated in larger multicentre randomised trials.

DRT accessibility tool (P1) : user guide (P2) : workshop materials (P3).

DOT National Transportation Integrated Search

2017-03-01

This is a collection of workshop materials, collected in August 2014, pertaining to a DRT Accessibility Tool developed for the Texas : Department of Transportation. This tool addresses some of the challenges of operating : a demand-responsive transit...

CTAB-assisted hydrothermal synthesis of YVO 4:Eu 3+ powders in a wide pH range

NASA Astrophysics Data System (ADS)

Wang, Juan; Hojamberdiev, Mirabbos; Xu, Yunhua

2012-01-01

Rhombus-, rod-, soya bean- and aggregated soya bean-like YVO 4:Eu 3+ micro- and nanostructures were synthesized by a cetyltrimethylammonium bromide (CTAB)-assisted hydrothermal method at 180 °C for 24 h in a wide pH range. The as-synthesized powders were characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and photoluminescence spectroscopy (PL). The XRD results confirmed the formation of phase-pure YVO 4:Eu 3+ powders with tetragonal structure under hydrothermal process in a wide pH range. Electron microscopic observations evidenced the morphological transformation of YVO 4:Eu 3+ powders from rhombus-like microstructure to rod-, soya bean, and aggregated soya bean-like nanostructures with an increase in the pH of the synthesis solution. The results from the PL measurements revealed that the intensities of PL emission peaks were significantly affected by the morphologies and crystallinity of samples due to the absence of an inversion symmetry at the Eu 3+ lattice site, and the highest luminescence intensity was observed for rod-like YVO 4:Eu 3+ powders.

TEM study on the initial oxidation of Zircaloy-4 thin foil specimens heated in a low vacuum air condition at 280-300 °C

NASA Astrophysics Data System (ADS)

Wang, Zhen; Zhou, Bang-xin; Zhu, Wei; Wen, Bang; Yao, Mei-yi; Li, Qiang; Wu, Lu; Zhang, Jin-long; Fang, Zhong-qiang

2017-04-01

As one of the important structural materials in nuclear industry, the corrosion resistance of zirconium alloy limits their in-pile application. Therefore, it is necessary to investigate the corrosion mechanism of zirconium alloys. The zirconium-oxygen reaction at the O/M interface is one of the factors that affect the oxidation process. There are few reports in this regard. Ideally, the reaction process at the O/M interface has certain relevance with the initiation oxidation of zirconium, which provided a new way to investigate the reaction process by observing the initiation oxidation behaviours. To investigate the oxidation behaviours of zirconium alloy at the initial stage, in this paper, zircaloy-4 TEM thin foil specimens in 3 mm diameter were studied by TEM observation after heating in air condition with a vacuum of 3 Pa at 280 °C, 290 °C and 300 °C for 30 min exposures. The results show that, ZrO2 begin to nucleate at a size of 3-5 nm at a high Zr/O ratio of 10.4 and oxide layer formed while Zr/O was 4.6. As a result of stress caused by the P.B ratio of Zr, slip bands formed and a bcc structure sub-oxide b-ZrOx (a = 0.51 nm) grew up along with the slip bands was observed. At both sides of b-ZrOx, two hcp structure sub-oxides having the same a-axis lattice parameter and different c-axis lattice parameter were detected.

In vitro photodynamic inactivation effects of benzylidene cyclopentanone photosensitizers on clinical fluconazole-resistant Candida albicans.

PubMed

Zhou, Shaona; Sun, Zhiyuan; Ye, Zulin; Wang, Ying; Wang, Leili; Xing, Limei; Qiu, Haixia; Huang, Naiyan; Luo, Yanping; Zhao, Yuxia; Gu, Ying

2018-06-01

The incidence of Candida infections has increased for various reasons, including, the more frequent use of immunosuppresants or broad-spectrum antibiotics. Photodynamic inactivation (PDI) is a promising approach for treating localized Candida infections. The PDI efficacies of three benzylidene cyclopentanone-based (BCB) photosensitizers (PSs: P1, P2 and Y1) against three fluconazole-resistant C. albicans (cal-1, cal-2, and cal-3) and one control C. albicans (ATCC 90028), respectively, were evaluated using an established plate dilution method. The binding of PSs to C. albicans was determined by fluorescence spectroscopy. The mechanism of antifungal PDI was investigated using confocal laser scanning microscopy (CLSM) and transmission electron microscopy (TEM). Three BCB PSs all bound rapidly to C. albicans. After incubation with PSs for 30 min and irradiation with a 532 nm laser for 10 min (40 mW cm -2 , 24 J cm -2 ), the fungicidal activity was achieved as 7.5 μM for P1 and P2, and 25 μM for Y1. CLSM confirmed that P1 and Y1 were located in intracellular components, including mitochondria, while P2 bound to the protoplast exterior and failed to enter the cells. TEM revealed the damage of mitochondria ultrastructures after P1- or Y1-mediated PDI, consistenting with the CLSM results. However, most cells became edematous, enlarged or deformation after P2-mediated PDI. The three BCB PSs all have remarkable PDI effects on C. albicans. The best effect is obtained by P1, which has one cationic charge with a proper lipophilicity. The respective subcellular localization of the three PSs led to different PDI mechanisms. Copyright © 2018. Published by Elsevier B.V.

A Study on the Reliability of Sasang Constitutional Body Trunk Measurement

PubMed Central

Jang, Eunsu; Kim, Jong Yeol; Lee, Haejung; Kim, Honggie; Baek, Younghwa; Lee, Siwoo

2012-01-01

Objective. Body trunk measurement for human plays an important diagnostic role not only in conventional medicine but also in Sasang constitutional medicine (SCM). The Sasang constitutional body trunk measurement (SCBTM) consists of the 5-widths and the 8-circumferences which are standard locations currently employed in the SCM society. This study suggests to what extent a comprehensive training can improve the reliability of the SCBTM. Methods. We recruited 10 male subjects and 5 male observers with no experience of anthropometric measurement. We conducted measurements twice before and after a comprehensive training. Relative technical error of measurement (%TEMs) was produced to assess intra and inter observer reliabilities. Results. Post-training intra-observer %TEMs of the SCBTM were 0.27% to 1.85% reduced from 0.27% to 6.26% in pre-training, respectively. Post-training inter-observer %TEMs of those were 0.56% to 1.66% reduced from 1.00% to 9.60% in pre-training, respectively. Post-training % total TEMs which represent the whole reliability were 0.68% to 2.18% reduced from maximum value of 10.18%. Conclusion. A comprehensive training makes the SCBTM more reliable, hence giving a sufficiently confident diagnostic tool. It is strongly recommended to give a comprehensive training in advance to take the SCBTM. PMID:21822442

High S/N Ratio Slotted Step Piezoresistive Microcantilever Designs for Biosensors

PubMed Central

Ansari, Mohd Zahid; Cho, Chongdu

2013-01-01

This study proposes new microcantilever designs in slotted step configuration to improve the S/N ratio of surface stress-based sensors used in physical, chemical, biochemical and biosensor applications. The cantilevers are made of silicon dioxide with a u-shaped silicon piezoresistor in p-doped. The cantilever step length and piezoresistor length is varied along with the operating voltage to characterise the surface stress sensitivity and thermal drifting sensitivity of the cantilevers when used as immunosensor. The numerical analysis is performed using ANSYS Multiphysics. Results show the surface stress sensitivity and the S/N ratio of the slotted step cantilevers is improved by more than 32% and 22%, respectively, over its monolithic counterparts. PMID:23535637

High S/N ratio slotted step piezoresistive microcantilever designs for biosensors.

PubMed

Ansari, Mohd Zahid; Cho, Chongdu

2013-03-26

This study proposes new microcantilever designs in slotted step configuration to improve the S/N ratio of surface stress-based sensors used in physical, chemical, biochemical and biosensor applications. The cantilevers are made of silicon dioxide with a u-shaped silicon piezoresistor in p-doped. The cantilever step length and piezoresistor length is varied along with the operating voltage to characterise the surface stress sensitivity and thermal drifting sensitivity of the cantilevers when used as immunosensor. The numerical analysis is performed using ANSYS Multiphysics. Results show the surface stress sensitivity and the S/N ratio of the slotted step cantilevers is improved by more than 32% and 22%, respectively, over its monolithic counterparts.

A high-resolution analytical scanning transmission electron microscopy study of the early stages of spinodal decomposition in binary Fe–Cr

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

Westraadt, J.E., E-mail: johan.westraadt@nmmu.ac.za; Olivier, E.J.; Neethling, J.H.

2015-11-15

Spinodal decomposition (SD) is an important phenomenon in materials science and engineering. For example, it is considered to be responsible for the 475 °C embrittlement of stainless steels comprising the bcc (ferrite) or bct (martensite) phases. Structural characterization of the evolving minute nano-scale concentration fluctuations during SD in the Fe–Cr system is, however, a notable challenge, and has mainly been considered accessible via atom probe tomography (APT) and small-angle neutron scattering. The standard tool for nanostructure characterization, viz. transmission electron microscopy (TEM), has only been successfully applied to late stages of SD when embrittlement is already severe. However, we heremore » demonstrate that the structural evolution in the early stages of SD in binary Fe–Cr, and alloys based on the binary, are accessible via analytical scanning TEM. An Fe–36 wt% Cr alloy aged at 500 °C for 1, 10 and 100 h is investigated using an aberration-corrected microscope and it is found that highly coherent and interconnected Cr-rich regions develop. The wavelength of decomposition is rather insensitive to the sample thickness and it is quantified to 2, 3 and 6 nm after ageing for 1, 10 and 100 h, which is in reasonable agreement with prior APT analysis. The concentration amplitude is more sensitive to the sample thickness and acquisition parameters but the TEM analysis is in good agreement with APT analysis for the longest ageing time. These findings open up for combinatorial TEM studies where both local crystallography and chemistry is required. - Highlights: • STEM-EELS analysis was successfully applied to resolve early stage SD in Fe–Cr. • Compositional wavelength measured with STEM-EELS compares well to previous ATP studies. • Compositional amplitude measured with STEM-EELS is a function of experimental parameters. • STEM-EELS allows for combinatorial studies of SD using complementary techniques.« less

Characterization of microbially Fe(III)-reduced nontronite: Environmental cell-transmission electron microscopy study

USGS Publications Warehouse

Kim, Jin-wook; Furukawa, Yoko; Daulton, Tyrone L.; Lavoie, Dawn L.; Newell, Steven W.

2003-01-01

Microstructural changes induced by the microbial reduction of Fe(III) in nontronite by Shewanella oneidensis were studied using environmental cell (EC)-transmission electron microscopy (TEM), conventional TEM, and X-ray powder diffraction (XRD). Direct observations of clays by EC-TEM in their hydrated state allowed for the first time an accurate and unambiguous TEM measurement of basal layer spacings and the contraction of layer spacing caused by microbial effects, most likely those of Fe(III) reduction. Non-reduced and Fe(III)-reduced nontronite, observed by EC-TEM, exhibited fringes with mean d001 spacings of 1.50 nm (standard deviation, σ = 0.08 nm) and 1.26 nm (σ = 0.10 nm), respectively. In comparison, the same samples embedded with Nanoplast resin, sectioned by microtome, and observed using conventional TEM, displayed layer spacings of 1.0–1.1 nm (non-reduced) and 1.0 nm (reduced). The results from Nanoplast-embedded samples are typical of conventional TEM studies, which have measured nearly identical layer spacings regardless of Fe oxidation state. Following Fe(III) reduction, both EC- and conventional TEM showed an increase in the order of nontronite selected area electron diffraction patterns while the images exhibited fewer wavy fringes and fewer layer terminations. An increase in stacking order in reduced nontronite was also suggested by XRD measurements. In particular, the ratio of the valley to peak intensity (v/p) of the 1.7 nm basal 001 peak of ethylene glycolated nontronite was measured at 0.65 (non-reduced) and 0.85 (microbially reduced).

Solid Rocket Motor Combustion Instability Modeling in COMSOL Multiphysics

NASA Technical Reports Server (NTRS)

Fischbach, Sean R.

2015-01-01

Combustion instability modeling of Solid Rocket Motors (SRM) remains a topic of active research. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process, acoustics, and steady-state gas dynamics. Recent advances in defining the energy transport of disturbances within steady flow-fields have been applied by combustion stability modelers to improve the analysis framework [1, 2, 3]. Employing this more accurate global energy balance requires a higher fidelity model of the SRM flow-field and acoustic mode shapes. The current industry standard analysis tool utilizes a one dimensional analysis of the time dependent fluid dynamics along with a quasi-three dimensional propellant grain regression model to determine the SRM ballistics. The code then couples with another application that calculates the eigenvalues of the one dimensional homogenous wave equation. The mean flow parameters and acoustic normal modes are coupled to evaluate the stability theory developed and popularized by Culick [4, 5]. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The current study employs the COMSOL multiphysics finite element framework to model the steady flow-field parameters and acoustic normal modes of a generic SRM. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluates the gas flow inside of a SRM using St. Robert's law to model the solid propellant burn rate, no slip boundary conditions, and the hybrid outflow condition. Results from the HMNF model are verified by comparing the pertinent ballistics parameters with the industry standard code outputs (i.e. pressure drop, thrust, ect.). These results are then used by the coefficient form of the mathematics module to determine the complex eigenvalues of the Acoustic Velocity Potential Equation (AVPE). The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. The results of the steady-state CFD and AVPE analyses are used to calculate the linear acoustic growth rate as is defined by Flandro and Jacob [2, 3]. In order to verify the process implemented within COMSOL we first employ the Culick theory and compare the results with the industry standard. After the process is verified, the Flandro/Jacob energy balance theory is employed and results displayed.

A glucose biosensor based on glucose oxidase immobilized on three-dimensional porous carbon electrodes.

PubMed

Chen, Jingyi; Zhu, Rong; Huang, Jia; Zhang, Man; Liu, Hongyu; Sun, Min; Wang, Li; Song, Yonghai

2015-08-21

A novel glucose biosensor was developed by immobilizing glucose oxidase (GOD) on a three-dimensional (3D) porous kenaf stem-derived carbon (3D-KSC) which was firstly proposed as a novel supporting material to load biomolecules for electrochemical biosensing. Here, an integrated 3D-KSC electrode was prepared by using a whole piece of 3D-KSC to load the GOD molecules for glucose biosensing. The morphologies of integrated 3D-KSC and 3D-KSC/GOD electrodes were characterized by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The SEM results revealed a 3D honeycomb macroporous structure of the integrated 3D-KSC electrode. The TEM results showed some microporosities and defects in the 3D-KSC electrode. The electrochemical behaviors and electrocatalytic performance of the integrated 3D-KSC/GOD electrode were evaluated by cyclic voltammetry and electrochemical impedance spectroscopy. The effects of pH and scan rates on the electrochemical response of the biosensor have been studied in detail. The glucose biosensor showed a wide linear range from 0.1 mM to 14.0 mM with a high sensitivity of 1.73 μA mM(-1) and a low detection limit of 50.75 μM. Furthermore, the glucose biosensor exhibited high selectivity, good repeatability and reproducibility, and good stability.

Community Petascale Project for Accelerator Science and Simulation: Advancing Computational Science for Future Accelerators and Accelerator Technologies

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

Spentzouris, P.; /Fermilab; Cary, J.

The design and performance optimization of particle accelerators are essential for the success of the DOE scientific program in the next decade. Particle accelerators are very complex systems whose accurate description involves a large number of degrees of freedom and requires the inclusion of many physics processes. Building on the success of the SciDAC-1 Accelerator Science and Technology project, the SciDAC-2 Community Petascale Project for Accelerator Science and Simulation (ComPASS) is developing a comprehensive set of interoperable components for beam dynamics, electromagnetics, electron cooling, and laser/plasma acceleration modelling. ComPASS is providing accelerator scientists the tools required to enable the necessarymore » accelerator simulation paradigm shift from high-fidelity single physics process modeling (covered under SciDAC1) to high-fidelity multiphysics modeling. Our computational frameworks have been used to model the behavior of a large number of accelerators and accelerator R&D experiments, assisting both their design and performance optimization. As parallel computational applications, the ComPASS codes have been shown to make effective use of thousands of processors. ComPASS is in the first year of executing its plan to develop the next-generation HPC accelerator modeling tools. ComPASS aims to develop an integrated simulation environment that will utilize existing and new accelerator physics modules with petascale capabilities, by employing modern computing and solver technologies. The ComPASS vision is to deliver to accelerator scientists a virtual accelerator and virtual prototyping modeling environment, with the necessary multiphysics, multiscale capabilities. The plan for this development includes delivering accelerator modeling applications appropriate for each stage of the ComPASS software evolution. Such applications are already being used to address challenging problems in accelerator design and optimization. The ComPASS organization for software development and applications accounts for the natural domain areas (beam dynamics, electromagnetics, and advanced acceleration), and all areas depend on the enabling technologies activities, such as solvers and component technology, to deliver the desired performance and integrated simulation environment. The ComPASS applications focus on computationally challenging problems important for design or performance optimization to all major HEP, NP, and BES accelerator facilities. With the cost and complexity of particle accelerators rising, the use of computation to optimize their designs and find improved operating regimes becomes essential, potentially leading to significant cost savings with modest investment.« less

Earth Science Computational Architecture for Multi-disciplinary Investigations

NASA Astrophysics Data System (ADS)

Parker, J. W.; Blom, R.; Gurrola, E.; Katz, D.; Lyzenga, G.; Norton, C.

2005-12-01

Understanding the processes underlying Earth's deformation and mass transport requires a non-traditional, integrated, interdisciplinary, approach dependent on multiple space and ground based data sets, modeling, and computational tools. Currently, details of geophysical data acquisition, analysis, and modeling largely limit research to discipline domain experts. Interdisciplinary research requires a new computational architecture that is optimized to perform complex data processing of multiple solid Earth science data types in a user-friendly environment. A web-based computational framework is being developed and integrated with applications for automatic interferometric radar processing, and models for high-resolution deformation & gravity, forward models of viscoelastic mass loading over short wavelengths & complex time histories, forward-inverse codes for characterizing surface loading-response over time scales of days to tens of thousands of years, and inversion of combined space magnetic & gravity fields to constrain deep crustal and mantle properties. This framework combines an adaptation of the QuakeSim distributed services methodology with the Pyre framework for multiphysics development. The system uses a three-tier architecture, with a middle tier server that manages user projects, available resources, and security. This ensures scalability to very large networks of collaborators. Users log into a web page and have a personal project area, persistently maintained between connections, for each application. Upon selection of an application and host from a list of available entities, inputs may be uploaded or constructed from web forms and available data archives, including gravity, GPS and imaging radar data. The user is notified of job completion and directed to results posted via URLs. Interdisciplinary work is supported through easy availability of all applications via common browsers, application tutorials and reference guides, and worked examples with visual response. At the platform level, multi-physics application development and workflow are available in the enriched environment of the Pyre framework. Advantages for combining separate expert domains include: multiple application components efficiently interact through Python shared libraries, investigators may nimbly swap models and try new parameter values, and a rich array of common tools are inherent in the Pyre system. The first four specific investigations to use this framework are: Gulf Coast subsidence: understanding of partitioning between compaction, subsidence and growth faulting; Gravity & deformation of a layered spherical earth model due to large earthquakes; Rift setting of Lake Vostok, Antarctica; and global ice mass changes.

Multiscale multiphysics and multidomain models—Flexibility and rigidity

PubMed Central

Xia, Kelin; Opron, Kristopher; Wei, Guo-Wei

2013-01-01

The emerging complexity of large macromolecules has led to challenges in their full scale theoretical description and computer simulation. Multiscale multiphysics and multidomain models have been introduced to reduce the number of degrees of freedom while maintaining modeling accuracy and achieving computational efficiency. A total energy functional is constructed to put energies for polar and nonpolar solvation, chemical potential, fluid flow, molecular mechanics, and elastic dynamics on an equal footing. The variational principle is utilized to derive coupled governing equations for the above mentioned multiphysical descriptions. Among these governing equations is the Poisson-Boltzmann equation which describes continuum electrostatics with atomic charges. The present work introduces the theory of continuum elasticity with atomic rigidity (CEWAR). The essence of CEWAR is to formulate the shear modulus as a continuous function of atomic rigidity. As a result, the dynamics complexity of a macromolecular system is separated from its static complexity so that the more time-consuming dynamics is handled with continuum elasticity theory, while the less time-consuming static analysis is pursued with atomic approaches. We propose a simple method, flexibility-rigidity index (FRI), to analyze macromolecular flexibility and rigidity in atomic detail. The construction of FRI relies on the fundamental assumption that protein functions, such as flexibility, rigidity, and energy, are entirely determined by the structure of the protein and its environment, although the structure is in turn determined by all the interactions. As such, the FRI measures the topological connectivity of protein atoms or residues and characterizes the geometric compactness of the protein structure. As a consequence, the FRI does not resort to the interaction Hamiltonian and bypasses matrix diagonalization, which underpins most other flexibility analysis methods. FRI's computational complexity is of \\documentclass[12pt]{minimal}\\begin{document}${\\cal O}(N^2)$\\end{document}O(N2) at most, where N is the number of atoms or residues, in contrast to \\documentclass[12pt]{minimal}\\begin{document}${\\cal O}(N^3)$\\end{document}O(N3) for Hamiltonian based methods. We demonstrate that the proposed FRI gives rise to accurate prediction of protein B-Factor for a set of 263 proteins. We show that a parameter free FRI is able to achieve about 95% accuracy of the parameter optimized FRI. An interpolation algorithm is developed to construct continuous atomic flexibility functions for visualization and use with CEWAR. PMID:24320318

TerraFERMA: The Transparent Finite Element Rapid Model Assembler for multi-physics problems in the solid Earth sciences

NASA Astrophysics Data System (ADS)

Spiegelman, M. W.; Wilson, C. R.; Van Keken, P. E.

2013-12-01

We announce the release of a new software infrastructure, TerraFERMA, the Transparent Finite Element Rapid Model Assembler for the exploration and solution of coupled multi-physics problems. The design of TerraFERMA is driven by two overarching computational needs in Earth sciences. The first is the need for increased flexibility in both problem description and solution strategies for coupled problems where small changes in model assumptions can often lead to dramatic changes in physical behavior. The second is the need for software and models that are more transparent so that results can be verified, reproduced and modified in a manner such that the best ideas in computation and earth science can be more easily shared and reused. TerraFERMA leverages three advanced open-source libraries for scientific computation that provide high level problem description (FEniCS), composable solvers for coupled multi-physics problems (PETSc) and a science neutral options handling system (SPuD) that allows the hierarchical management of all model options. TerraFERMA integrates these libraries into an easier to use interface that organizes the scientific and computational choices required in a model into a single options file, from which a custom compiled application is generated and run. Because all models share the same infrastructure, models become more reusable and reproducible. TerraFERMA inherits much of its functionality from the underlying libraries. It currently solves partial differential equations (PDE) using finite element methods on simplicial meshes of triangles (2D) and tetrahedra (3D). The software is particularly well suited for non-linear problems with complex coupling between components. We demonstrate the design and utility of TerraFERMA through examples of thermal convection and magma dynamics. TerraFERMA has been tested successfully against over 45 benchmark problems from 7 publications in incompressible and compressible convection, magmatic solitary waves and Stokes flow with free surfaces. We have been using it extensively for research in basic magma dynamics, fluid flow in subduction zones and reactive cracking in poro-elastic materials. TerraFERMA is open-source and available as a git repository at bitbucket.org/tferma/tferma and through CIG. Instability of a 1-D magmatic solitary wave to spherical 3D waves calculated using TerraFERMA

Multiphysics Simulation of Low-Amplitude Acoustic Wave Detection by Piezoelectric Wafer Active Sensors Validated by In-Situ AE-Fatigue Experiment

PubMed Central

Giurgiutiu, Victor

2017-01-01

Piezoelectric wafer active sensors (PWAS) are commonly used for detecting Lamb waves for structural health monitoring application. However, in most applications of active sensing, the signals are of high-amplitude and easy to detect. In this article, we have shown a new avenue of using the PWAS transducer for detecting the low-amplitude fatigue-crack related acoustic emission (AE) signals. Multiphysics finite element (FE) simulations were performed with two PWAS transducers bonded to the structure. Various configurations of the sensors were studied by using the simulations. One PWAS was placed near to the fatigue-crack and the other one was placed at a certain distance from the crack. The simulated AE event was generated at the crack tip. The simulation results showed that both PWAS transducers were capable of sensing the AE signals. To validate the multiphysics simulation results, an in-situ AE-fatigue experiment was performed. Two PWAS transducers were bonded to the thin aerospace test coupon. The fatigue crack was generated in the test coupon which had produced low-amplitude acoustic waves. The low-amplitude fatigue-crack related AE signals were successfully captured by the PWAS transducers. The distance effect on the captured AE signals was also studied. It has been shown that some high-frequency contents of the AE signal have developed as they travel away from the crack. PMID:28817081

Multi-Physics Modelling of Fault Mechanics Using REDBACK: A Parallel Open-Source Simulator for Tightly Coupled Problems

NASA Astrophysics Data System (ADS)

Poulet, Thomas; Paesold, Martin; Veveakis, Manolis

2017-03-01

Faults play a major role in many economically and environmentally important geological systems, ranging from impermeable seals in petroleum reservoirs to fluid pathways in ore-forming hydrothermal systems. Their behavior is therefore widely studied and fault mechanics is particularly focused on the mechanisms explaining their transient evolution. Single faults can change in time from seals to open channels as they become seismically active and various models have recently been presented to explain the driving forces responsible for such transitions. A model of particular interest is the multi-physics oscillator of Alevizos et al. (J Geophys Res Solid Earth 119(6), 4558-4582, 2014) which extends the traditional rate and state friction approach to rate and temperature-dependent ductile rocks, and has been successfully applied to explain spatial features of exposed thrusts as well as temporal evolutions of current subduction zones. In this contribution we implement that model in REDBACK, a parallel open-source multi-physics simulator developed to solve such geological instabilities in three dimensions. The resolution of the underlying system of equations in a tightly coupled manner allows REDBACK to capture appropriately the various theoretical regimes of the system, including the periodic and non-periodic instabilities. REDBACK can then be used to simulate the drastic permeability evolution in time of such systems, where nominally impermeable faults can sporadically become fluid pathways, with permeability increases of several orders of magnitude.

Autophagy protects type II alveolar epithelial cells from Mycobacterium tuberculosis infection

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

Guo, Xu-Guang; Department of Laboratory Medicine, The Third Affiliated Hospital of Guangzhou Medical University, Guangzhou; Ji, Tian-Xing

Highlights: ► We investigated the protective effect of autophagy pathway against MTB infection. ► MTB-infected A549 cells had higher LDH release. ► Inhibition of autophagy signaling significantly enhanced the MTB-induced necrosis. ► Autophagy prevents apoptosis and promotes cell survival in infected cells. -- Abstract: This study was designed to investigate the protective effect of the autophagy signaling pathway against Mycobacterium tuberculosis infection in type II alveolar epithelial cells. An in vitro M. tuberculosis system was established using human A549 cells. Infection-induced changes in the expression of the autophagic marker LC3 were assessed by reverse transcription-PCR and Western blotting. Morphological changesmore » in autophagosomes were detected by transmission electron microscopy (TEM). The function of the autophagy signaling pathway during infection was assessed by measuring the level of cell death and the amount of lactate dehydrogenase (LDH) released in the presence or absence of the inhibitor 3-methyladenine (3-MA). In addition, effects on LDH release were assessed after the siRNA-mediated knockdown of the essential autophagosomal structural membrane protein Atg5. LC3 mRNA expression was significantly reduced in M.tuberculosis-infected A549 cells (16888.76 ± 1576.34 vs. uninfected: 12744.29 ± 1089.37; P < 0.05). TEM revealed M.tuberculosis bacilli-containing compartments that were surrounded by double membranes characteristic of the autophagic process. M.tuberculosis-infected A549 cells released more LDH (1.45 ± 0.12 vs. uninfected: 0.45 ± 0.04; P < 0.05). The inhibition of autophagy signaling significantly enhanced M.tuberculosis-induced necrosis (3-MA: 75 ± 5% vs. untreated: 15 ± 1%; P < 0.05) and LDH release (3-MA: 2.50 ± 0.24 vs. untreated: 0.45 ± 0.04; Atg5 knockdown: 3.19 ± 0.29 vs. untreated: 1.28 ± 0.11; P < 0.05). Our results indicate that autophagy signaling pathway prevents apoptosis in type II alveolar epithelial cells infected with M.tuberculosis and may represent a molecular target for promoting cell survival during infection by respiratory pathogens.« less

TEM heat transport and fluctuations in the HSX stellarator: experiments and comparison with gyrokinetic simulation

NASA Astrophysics Data System (ADS)

Smoniewski, J.; Faber, B. J.; Sánchez, E.; Calvo, I.; Pueschel, M. J.; Likin, K. M.; Deng, C. B.; Talmadge, J. N.

2017-10-01

The Helically Symmetric eXperiment (HSX) has demonstrated reduced neoclassical transport in the plasma core with quasi-symmetry [Lore Thesis 2010], while outside this region the electron thermal diffusivity is well above the neoclassical level, likely due to the Trapped Electron Mode (TEM) [Weir PoP 2015, Faber PoP 2015]. We compare gyrokinetic simulations of the TEM to experimental heat flux and density fluctuation measurements for two configurations: Quasi-Helical Symmetry (QHS) and broken symmetry (Mirror). Both experiment and simulation show that the heat flux for Mirror is larger than for QHS by about a factor of two. Initial interferometer measurements provide evidence that density-gradient-driven TEMs are driving turbulence. Calculations of the collisionless damping of zonal flows provide another perspective into the difference between geometries. Similar to other stellarators [Monreal PPCF 2016], the zonal flow residual goes to zero at long wavelengths in both configurations. Additionally, the very short time decay of the zonal flow due to neoclassical polarization is constant between configurations. However, the collisionless damping time is longer and the zonal flow oscillation frequency is smaller in QHS than Mirror, consistent with reduced radial particle drifts. Work supported by the US DOE under Grant DE-FG02-93ER54222.

Strains on the nano- and microscale in nickel-titanium: An advanced TEM study

NASA Astrophysics Data System (ADS)

Tirry, Wim

2007-12-01

A general introduction to shape memory behavior and the martensitic transformation is given in chapter 1, with speck information concerning the NiTi material. The technique used to study the material is transmission electron microscopy (TEM) of which the basics are explained in chapter 2 as well as information concerning the NiTi material. The main goal was to apply more advanced TEM techniques in order to measure some aspects in a quantitative way rather than qualitative, which is mostly the case in conventional TEM. (1) Quantitative electron diffraction was used to refine the structure of Ni4Ti3 precipitates, this was done by using the MSLS method in combination with density functional theory (DFT) calculations. (2) These Ni4Ti3 precipitates are (semi-)coherent which results in a strain field in the matrix close to the precipitate. High resolution TEM (HRTEM) in combination with image processing techniques was used to measure these strain fields. The obtained results are compared to the Eshelby model for elliptical inclusions, and major difference is an underestimation of the strain magnitude by the model. One of the algorithms used to extract strain information from HRTEM images is the geometric phase method. (3) The Ni4Ti3-Ni4Ti3 and Ni4Ti3-precipitate interface was investigated with HRTEM showing that the Ni4Ti3-precipitate interface might be diffuse over a range of 3nm. (4) In-situ straining experiments were performed on single crystalline and superelastic polycrystalline NiTi samples. It seems that the strain induced martensite planes in the polycrystalline sample show no sign of twinning. This is in contradiction to what is expected and is discussed in the view of the crystallographic theory of martensite, in addition a first model explaining this behavior is proposed. In this dissertation the main attention is divided over the material aspects of NiTi and on how to apply these more advanced TEM techniques.

Graphene-Based Polymer Bilayers with Superior Light-Driven Properties for Remote Construction of 3D Structures.

PubMed

Tang, Zhenhua; Gao, Ziwei; Jia, Shuhai; Wang, Fei; Wang, Yonglin

2017-05-01

3D structure assembly in advanced functional materials is important for many areas of technology. Here, a new strategy exploits IR light-driven bilayer polymeric composites for autonomic origami assembly of 3D structures. The bilayer sheet comprises a passive layer of poly(dimethylsiloxane) (PDMS) and an active layer comprising reduced graphene oxides (RGOs), thermally expanding microspheres (TEMs), and PDMS. The corresponding fabrication method is versatile and simple. Owing to the large volume expansion of the TEMs, the two layers exhibit large differences in their coefficients of thermal expansion. The RGO-TEM-PDMS/PDMS bilayers can deflect toward the PDMS side upon IR irradiation via the cooperative effect of the photothermal effect of the RGOs and the expansion of the TEMs, and exhibit excellent light-driven, a large bending deformation, and rapid responsive properties. The proposed RGO-TEM-PDMS/PDMS composites with excellent light-driven bending properties are demonstrated as active hinges for building 3D geometries such as bidirectionally folded columns, boxes, pyramids, and cars. The folding angle (ranging from 0° to 180°) is well-controlled by tuning the active hinge length. Furthermore, the folded 3D architectures can permanently preserve the deformed shape without energy supply. The presented approach has potential in biomedical devices, aerospace applications, microfluidic devices, and 4D printing.

Pharmacodynamics of Finafloxacin, Ciprofloxacin, and Levofloxacin in Serum and Urine against TEM- and SHV-Type Extended-Spectrum-β-Lactamase-Producing Enterobacteriaceae Isolates from Patients with Urinary Tract Infections

PubMed Central

Schubert, S.; Vente, A.

2017-01-01

ABSTRACT The pharmacodynamics of finafloxacin, ciprofloxacin, and levofloxacin against extended-spectrum-β-lactamase (ESBL)-producing Enterobacteriaceae isolates were compared. Since quinolones lose activity in acidic media, and particularly in urine, their activities were tested in parallel under conventional conditions and in acidic artificial urine. For this purpose, TEM- and SHV-type ESBL-producing Escherichia coli and Klebsiella pneumoniae strains and their wild-type counterparts were exposed in a modified Grasso model to simulated concentrations of drugs in serum and urine following oral doses of either finafloxacin at 800 mg once a day (q.d.), immediate-release ciprofloxacin at 500 mg twice a day (b.i.d.), extended-release ciprofloxacin at 1,000 mg q.d., or levofloxacin at 500 or 750 mg q.d. The concentrations of the drugs in urine were fitted by compartmental modeling. Bacteria were cultivated in Mueller-Hinton broth (MHB) at pH 7.2 or 5.8 or in artificial urine at pH 5.8. Bacteria were counted every 2 h until 10 h and at 24 h; the areas under the bacterial-count–versus–time curves were calculated. It was found that finafloxacin eliminated all strains within 2 h under all the conditions studied. At all doses studied, ciprofloxacin and levofloxacin were highly active against wild-type strains in MHB at pH 7.2 but lost activity in MHB, and particularly in urine, at pH 5.8. Viable counts of ESBL producers were reduced for 6 to 8 h by 3 log10 titers, but the bacteria regrew thereafter. Ciprofloxacin and levofloxacin were almost inactive against the SHV producer grown in artificial urine. We conclude that pharmacodynamic models using artificial urine may mirror the physiology of urinary tract infections more closely than those using conventional media. In contrast to ciprofloxacin and levofloxacin, finafloxacin gained activity in this model at an acidic pH, maintained activity in artificial urine, and was active against TEM and SHV producers. PMID:28193648

Pharmacodynamics of Finafloxacin, Ciprofloxacin, and Levofloxacin in Serum and Urine against TEM- and SHV-Type Extended-Spectrum-β-Lactamase-Producing Enterobacteriaceae Isolates from Patients with Urinary Tract Infections.

PubMed

Dalhoff, A; Schubert, S; Vente, A

2017-05-01

The pharmacodynamics of finafloxacin, ciprofloxacin, and levofloxacin against extended-spectrum-β-lactamase (ESBL)-producing Enterobacteriaceae isolates were compared. Since quinolones lose activity in acidic media, and particularly in urine, their activities were tested in parallel under conventional conditions and in acidic artificial urine. For this purpose, TEM- and SHV-type ESBL-producing Escherichia coli and Klebsiella pneumoniae strains and their wild-type counterparts were exposed in a modified Grasso model to simulated concentrations of drugs in serum and urine following oral doses of either finafloxacin at 800 mg once a day (q.d.), immediate-release ciprofloxacin at 500 mg twice a day (b.i.d.), extended-release ciprofloxacin at 1,000 mg q.d., or levofloxacin at 500 or 750 mg q.d. The concentrations of the drugs in urine were fitted by compartmental modeling. Bacteria were cultivated in Mueller-Hinton broth (MHB) at pH 7.2 or 5.8 or in artificial urine at pH 5.8. Bacteria were counted every 2 h until 10 h and at 24 h; the areas under the bacterial-count-versus-time curves were calculated. It was found that finafloxacin eliminated all strains within 2 h under all the conditions studied. At all doses studied, ciprofloxacin and levofloxacin were highly active against wild-type strains in MHB at pH 7.2 but lost activity in MHB, and particularly in urine, at pH 5.8. Viable counts of ESBL producers were reduced for 6 to 8 h by 3 log 10 titers, but the bacteria regrew thereafter. Ciprofloxacin and levofloxacin were almost inactive against the SHV producer grown in artificial urine. We conclude that pharmacodynamic models using artificial urine may mirror the physiology of urinary tract infections more closely than those using conventional media. In contrast to ciprofloxacin and levofloxacin, finafloxacin gained activity in this model at an acidic pH, maintained activity in artificial urine, and was active against TEM and SHV producers. Copyright © 2017 Dalhoff et al.

Resistive switching mechanism in the one diode-one resistor memory based on p+-Si/n-ZnO heterostructure revealed by in-situ TEM

NASA Astrophysics Data System (ADS)

Zhang, Lei; Zhu, Liang; Li, Xiaomei; Xu, Zhi; Wang, Wenlong; Bai, Xuedong

2017-03-01

One diode-one resistor (1D1R) memory is an effective architecture to suppress the crosstalk interference, realizing the crossbar network integration of resistive random access memory (RRAM). Herein, we designed a p+-Si/n-ZnO heterostructure with 1D1R function. Compared with the conventional multilayer 1D1R devices, the structure and fabrication technique can be largely simplified. The real-time imaging of formation/rupture process of conductive filament (CF) process demonstrated the RS mechanism by in-situ transmission electron microscopy (TEM). Meanwhile, we observed that the formed CF is only confined to the outside of depletion region of Si/ZnO pn junction, and the formation of CF does not degrade the diode performance, which allows the coexistence of RS and rectifying behaviors, revealing the 1D1R switching model. Furthermore, it has been confirmed that the CF is consisting of the oxygen vacancy by in-situ TEM characterization.

Efficient delivery of cell impermeable phosphopeptides by a cyclic peptide amphiphile containing tryptophan and arginine.

PubMed

Nasrolahi Shirazi, Amir; Tiwari, Rakesh Kumar; Oh, Donghoon; Banerjee, Antara; Yadav, Arpita; Parang, Keykavous

2013-05-06

Phosphopeptides are valuable reagent probes for studying protein-protein and protein-ligand interactions. The cellular delivery of phosphopeptides is challenging because of the presence of the negatively charged phosphate group. The cellular uptake of a number of fluorescent-labeled phosphopeptides, including F'-GpYLPQTV, F'-NEpYTARQ, F'-AEEEIYGEFEAKKKK, F'-PEpYLGLD, F'-pYVNVQN-NH2, and F'-GpYEEI (F' = fluorescein), was evaluated in the presence or absence of a [WR]4, a cyclic peptide containing alternative arginine (R) and tryptophan (W) residues, in human leukemia cells (CCRF-CEM) after 2 h incubation using flow cytometry. [WR]4 improved significantly the cellular uptake of all phosphopeptides. PEpYLGLD is a sequence that mimics the pTyr1246 of ErbB2 that is responsible for binding to the Chk SH2 domain. The cellular uptake of F'-PEpYLGLD was enhanced dramatically by 27-fold in the presence of [WR]4 and was found to be time-dependent. Confocal microscopy of a mixture of F'-PEpYLGLD and [WR]4 in live cells exhibited intracellular localization and significantly higher cellular uptake compared to that of F'-PEpYLGLD alone. Transmission electron microscopy (TEM) and isothermal calorimetry (ITC) were used to study the interaction of PEpYLGLD and [WR]4. TEM results showed that the mixture of PEpYLGLD and [WR]4 formed noncircular nanosized structures with width and height of 125 and 60 nm, respectively. ITC binding studies confirmed the interaction between [WR]4 and PEpYLGLD. The binding isotherm curves, derived from sequential binding models, showed an exothermic interaction driven by entropy. These studies suggest that amphiphilic peptide [WR]4 can be used as a cellular delivery tool of cell-impermeable negatively charged phosphopeptides.

RF Wave Simulation Using the MFEM Open Source FEM Package

NASA Astrophysics Data System (ADS)

Stillerman, J.; Shiraiwa, S.; Bonoli, P. T.; Wright, J. C.; Green, D. L.; Kolev, T.

2016-10-01

A new plasma wave simulation environment based on the finite element method is presented. MFEM, a scalable open-source FEM library, is used as the basis for this capability. MFEM allows for assembling an FEM matrix of arbitrarily high order in a parallel computing environment. A 3D frequency domain RF physics layer was implemented using a python wrapper for MFEM and a cold collisional plasma model was ported. This physics layer allows for defining the plasma RF wave simulation model without user knowledge of the FEM weak-form formulation. A graphical user interface is built on πScope, a python-based scientific workbench, such that a user can build a model definition file interactively. Benchmark cases have been ported to this new environment, with results being consistent with those obtained using COMSOL multiphysics, GENRAY, and TORIC/TORLH spectral solvers. This work is a first step in bringing to bear the sophisticated computational tool suite that MFEM provides (e.g., adaptive mesh refinement, solver suite, element types) to the linear plasma-wave interaction problem, and within more complicated integrated workflows, such as coupling with core spectral solver, or incorporating additional physics such as an RF sheath potential model or kinetic effects. USDoE Awards DE-FC02-99ER54512, DE-FC02-01ER54648.

Evolution of Regions Containing Antibiotic Resistance Genes in FII-2-FIB-1 ColV-Colla Virulence Plasmids.

PubMed

Moran, Robert A; Hall, Ruth M

2018-05-01

Three ColV virulence plasmids carrying antibiotic resistance genes were assembled from draft genome sequences of commensal ST95, ST131, and ST2705 Escherichia coli isolates from healthy Australians. Plasmids pCERC4, pCERC5, and pCERC9 include almost identical backbones containing FII-2 and FIB-1 replicons and the conserved ColV virulence region with an additional ColIa determinant. Only pCERC5 includes a complete, uninterrupted F-like transfer region and was able to conjugate. pCERC5 and pCERC9 contain Tn1721, carrying the tet(A) tetracycline resistance determinant in the same location, with Tn2 (bla TEM ; ampicillin resistance) interrupting the Tn1721 in pCERC5. pCERC4 has a Tn1721/Tn21 hybrid transposon carrying dfrA5 (trimethoprim resistance) and sul1 (sulfamethoxazole resistance) in a class 1 integron. Four FII-2:FIB-1 ColV-ColIa plasmids in the GenBank nucleotide database have a related transposon in the same position, but an IS26 has reshaped the resistance gene region, deleting 2,069 bp of the integron 3'-CS, including sul1, and serving as a target for IS26 translocatable units containing bla TEM , sul2 and strAB (streptomycin resistance), or aphA1 (kanamycin/neomycin resistance). Another ColV-ColIa plasmid containing a related resistance gene region has lost the FII replicon and acquired a unique transfer region via recombination within the resistance region and at oriT. Eighteen further complete ColV plasmid sequences in GenBank contained FIB-1, but the FII replicons were of three types, FII-24, FII-18, and a variant of FII-36.

A Virtual Laboratory for the 4 Bed Molecular Sieve of the Carbon Dioxide Removal Assembly

NASA Technical Reports Server (NTRS)

Coker, Robert; Knox, James; O'Connor, Brian

2016-01-01

Ongoing work to improve water and carbon dioxide separation systems to be used on crewed space vehicles combines sub-scale systems testing and multi-physics simulations. Thus, as part of NASA's Advanced Exploration Systems (AES) program and the Life Support Systems Project (LSSP), fully predictive COMSOL Multiphysics models of the Four Bed Molecular Sieve (4BMS) of the Carbon Dioxide Removal Assembly (CDRA) on the International Space Station (ISS) have been developed. This Virtual Laboratory is being used to help reduce mass, power, and volume requirements for exploration missions. In this paper we describe current and planned modeling developments in the area of carbon dioxide removal to support future missions as well as the resolution of anomalies observed in the ISS CDRA.

Evaluation of a transient, simultaneous, arbitrary Lagrange-Euler based multi-physics method for simulating the mitral heart valve.

PubMed

Espino, Daniel M; Shepherd, Duncan E T; Hukins, David W L

2014-01-01

A transient multi-physics model of the mitral heart valve has been developed, which allows simultaneous calculation of fluid flow and structural deformation. A recently developed contact method has been applied to enable simulation of systole (the stage when blood pressure is elevated within the heart to pump blood to the body). The geometry was simplified to represent the mitral valve within the heart walls in two dimensions. Only the mitral valve undergoes deformation. A moving arbitrary Lagrange-Euler mesh is used to allow true fluid-structure interaction (FSI). The FSI model requires blood flow to induce valve closure by inducing strains in the region of 10-20%. Model predictions were found to be consistent with existing literature and will undergo further development.

Atom-probe tomography and transmission electron microscopy of the kamacite-taenite interface in the fast-cooled Bristol IVA iron meteorite

NASA Astrophysics Data System (ADS)

Rout, Surya S.; Heck, Philipp R.; Isheim, Dieter; Stephan, Thomas; Zaluzec, Nestor J.; Miller, Dean J.; Davis, Andrew M.; Seidman, David N.

2017-12-01

We report the first combined atom-probe tomography (APT) and transmission electron microscopy (TEM) study of a kamacite-tetrataenite (K-T) interface region within an iron meteorite, Bristol (IVA). Ten APT nanotips were prepared from the K-T interface with focused ion beam scanning electron microscopy (FIB-SEM) and then studied using TEM followed by APT. Near the K-T interface, we found 3.8 ± 0.5 wt% Ni in kamacite and 53.4 ± 0.5 wt% Ni in tetrataenite. High-Ni precipitate regions of the cloudy zone (CZ) have 50.4 ± 0.8 wt% Ni. A region near the CZ and martensite interface has <10 nm sized Ni-rich precipitates with 38.4 ± 0.7 wt% Ni present within a low-Ni matrix having 25.5 ± 0.6 wt% Ni. We found that Cu is predominantly concentrated in tetrataenite, whereas Co, P, and Cr are concentrated in kamacite. Phosphorus is preferentially concentrated along the K-T interface. This study is the first precise measurement of the phase composition at high spatial resolution and in 3-D of the K-T interface region in a IVA iron meteorite and furthers our knowledge of the phase composition changes in a fast-cooled iron meteorite below 400 °C. We demonstrate that APT in conjunction with TEM is a useful approach to study the major, minor, and trace elemental composition of nanoscale features within fast-cooled iron meteorites.

The Application of High-Resolution Electron Microscopy to Problems in Solid State Chemistry: The Exploits of a Peeping TEM.

ERIC Educational Resources Information Center

Eyring, LeRoy

1980-01-01

Describes methods for using the high-resolution electron microscope in conjunction with other tools to reveal the identity and environment of atoms. Problems discussed include the ultimate structure of real crystalline solids including defect structure and the mechanisms of chemical reactions. (CS)

Tumor endothelial marker 5 expression in endothelial cells during capillary morphogenesis is induced by the small GTPase Rac and mediates contact inhibition of cell proliferation

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

Vallon, Mario, E-mail: m.vallon@arcor.de; Rohde, Franziska; Janssen, Klaus-Peter

2010-02-01

Tumor endothelial marker (TEM) 5 is an adhesion G-protein-coupled receptor upregulated in endothelial cells during tumor and physiologic angiogenesis. So far, the mechanisms leading to upregulation of TEM5 and its function during angiogenesis have not been identified. Here, we report that TEM5 expression in endothelial cells is induced during capillary-like network formation on Matrigel, during capillary morphogenesis in a three-dimensional collagen I matrix, and upon confluence on a two-dimensional matrix. TEM5 expression was not induced by a variety of soluble angiogenic factors, including VEGF and bFGF, in subconfluent endothelial cells. TEM5 upregulation was blocked by toxin B from Clostridium difficile,more » an inhibitor of the small GTPases Rho, Rac, and Cdc42. The Rho inhibitor C3 transferase from Clostridium botulinum did not affect TEM5 expression, whereas the Rac inhibitor NSC23766 suppressed TEM5 upregulation. An excess of the soluble TEM5 extracellular domain or an inhibitory monoclonal TEM5 antibody blocked contact inhibition of endothelial cell proliferation resulting in multilayered islands within the endothelial monolayer and increased vessel density during capillary formation. Based on our results we conclude that TEM5 expression during capillary morphogenesis is induced by the small GTPase Rac and mediates contact inhibition of proliferation in endothelial cells.« less

Microstructural evolution during quenching and partitioning of 0.2C-1.5Mn-1.3Si steels with Cr or Ni additions

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

Pierce, Dean T.; Coughlin, D. R.; Clarke, Kester D.

Here, the influence of Cr and Ni additions and quench and partition (Q&P) processing parameters on the microstructural development, including carbide formation and austenite retention during Q&P, was studied in two steels with a base composition of 0.2C-1.5Mn-1.3Si wt.% and additions of 1.5 wt.% Cr (1.5Cr) or Ni (1.5Ni). Additions of 1.5 wt.% Cr significantly slowed the kinetics of austenite decomposition relative to the 1.5Ni alloy at all partitioning temperatures, promoting greater austenite retention, lower retained austenite carbon (C) contents, and reduced sensitivity of the retained austenite amounts to processing variables. In the 1.5Cr alloy after partitioning at 400 °Cmore » for 300 s, η-carbides were identified by transmission electron microscopy (TEM) and atom probe tomography (APT) revealed no significant enrichment of substitutional elements in the carbides. In the 1.5Ni alloy after partitioning at 450 °C for 300 s, both plate-like and globular carbides were observed by TEM. APT analysis of the globular carbides clearly revealed significant Si rejection and Mn enrichment. Mössbauer effect spectroscopy was used to quantify the amount of carbides after Q&P. In general, carbide amounts below ~0.3% of Fe were measured in both alloys after partitioning for short times (10 s), irrespective of quench or partitioning temperature, which corresponds to a relatively small portion of the bulk C. With increasing partitioning time, carbide amounts remained approximately constant or increased, depending on the alloy, quench temperature, and/or partitioning temperature.« less

Microstructural evolution during quenching and partitioning of 0.2C-1.5Mn-1.3Si steels with Cr or Ni additions

DOE PAGES

Pierce, Dean T.; Coughlin, D. R.; Clarke, Kester D.; ...

2018-03-08

Here, the influence of Cr and Ni additions and quench and partition (Q&P) processing parameters on the microstructural development, including carbide formation and austenite retention during Q&P, was studied in two steels with a base composition of 0.2C-1.5Mn-1.3Si wt.% and additions of 1.5 wt.% Cr (1.5Cr) or Ni (1.5Ni). Additions of 1.5 wt.% Cr significantly slowed the kinetics of austenite decomposition relative to the 1.5Ni alloy at all partitioning temperatures, promoting greater austenite retention, lower retained austenite carbon (C) contents, and reduced sensitivity of the retained austenite amounts to processing variables. In the 1.5Cr alloy after partitioning at 400 °Cmore » for 300 s, η-carbides were identified by transmission electron microscopy (TEM) and atom probe tomography (APT) revealed no significant enrichment of substitutional elements in the carbides. In the 1.5Ni alloy after partitioning at 450 °C for 300 s, both plate-like and globular carbides were observed by TEM. APT analysis of the globular carbides clearly revealed significant Si rejection and Mn enrichment. Mössbauer effect spectroscopy was used to quantify the amount of carbides after Q&P. In general, carbide amounts below ~0.3% of Fe were measured in both alloys after partitioning for short times (10 s), irrespective of quench or partitioning temperature, which corresponds to a relatively small portion of the bulk C. With increasing partitioning time, carbide amounts remained approximately constant or increased, depending on the alloy, quench temperature, and/or partitioning temperature.« less

Dissolution kinetics of a lunar glass simulant at 25 degrees C: the effect of pH and organic acids

NASA Technical Reports Server (NTRS)

Eick, M. J.; Grossl, P. R.; Golden, D. C.; Sparks, D. L.; Ming, D. W.

1996-01-01

The dissolution kinetics of a simulated lunar glass were examined at pH 3, 5, and 7. Additionally, the pH 7 experiments were conducted in the presence of citric and oxalic acid at concentrations of 2 and 20 mM. The organic acids were buffered at pH 7 to examine the effect of each molecule in their dissociated form. At pH 3, 5, and 7, the dissolution of the synthetic lunar glass was observed to proceed via a two-stage process. The first stage involved the parabolic release of Ca, Mg, Al, and Fe, and the linear release of Si. Dissolution was incongruent, creating a leached layer rich in Si and Ti which was verified by transmission electron microscopy (TEM). During the second stage the release of Ca, Mg, Al, and Fe was linear. A coupled diffusion/surface dissolution model was proposed for dissolution of the simulated lunar glass at pH 3, 5, and 7. During the first stage the initial release of mobile cations (i.e., Ca, Mg, Al, Fe) was limited by diffusion through the surface leached layer of the glass (parabolic release), while Si release was controlled by the hydrolysis of the Si-O-Al bonds at the glass surface (linear release). As dissolution continued, the mobile cations diffused from greater depths within the glass surface. A steady-state was then reached where the diffusion rate across the increased path lengths equalled the Si release rate from the surface. In the presence of the organic acids, the dissolution of the synthetic lunar glass proceeded by a one stage process. The release of Ca, Mg, Al, and Fe followed a parabolic relationship, while the release of Si was linear. The relative reactivity of the organic acids used in the experiments was citrate > oxalate. A thinner leached layer rich in Si/Ti, as compared to the pH experiments, was observed using TEM. Rate data suggest that the chemisorption of the organic anion to the surface silanol groups was responsible for enhanced dissolution in the presence of the organic acids. It is proposed that the increased rate of Si release is responsible for the one stage parabolic release of mobile cations and the relatively thin leached layer compared to experiments at pH 3 and 5.

The binary complex of poly(PEGMA-co-MAA) hydrogel and PLGA nanoparticles as a novel oral drug delivery system for ibuprofen delivery.

PubMed

Shang, Qing; Huang, Sijin; Zhang, Aixin; Feng, Jia; Yang, Song

2017-11-01

To improve the bioavailability of ibuprofen (IBU), we developed a novel binary complex of poly(PEGMA-co-MAA) hydrogel and IBU-loaded PLGA nanoparticles (IBU-PLGA NPs@hydrogels) as an oral intestinal targeting drug delivery system (OIDDS). The IBU-loaded PLGA NPs and pH-sensitive hydrogels were obtained via the solvent evaporation method and radical polymerization, respectively. The final OIDDS was obtained by immersing the hydrogel chips in the IBU-loaded PLGA NPs solutions (pH 7.4) for 3 d. The size distribution and morphology of cargo-free NPs were studied by laser granularity analyzer and transmission electron microscope (TEM). The inner structures of the pH-sensitive hydrogel chips were observed with an S-4800 scanning electron microscope (SEM). The distribution states of IBU in the OIDDS were also studied with X-ray diffraction (XRD) and differential scanning calorimetry (DSC). TEM photographs illustrated that the PLGA NPs had a round shape with an average diameter about 100 nm. Fourier transform infrared spectrum (FTIR) confirmed the synthesis of poly(PEGMA-co-MAA) hydrogel. The SEM picture showed that the final hydrogel had 3D net-work structures. Moreover, the poly(PEGMA-co-MAA) hydrogel showed an excellent pH-sensitivity. The XRD and DSC curves suggested that IBU distributed in the OIDDS with an amorphous state. The cumulated release profiles indicated that the final OIDDS could release IBU in alkaline environment (e.g. intestinal tract) at a sustained manner. Therefore, the novel OIDDS could improve the oral bioavailability of IBU, and had a potential application in drug delivery.

Technical Note: Radiation properties of tissue- and water-equivalent materials formulated using the stoichiometric analysis method in charged particle therapy

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

Yohannes, Indra; Vasiliniuc, Stefan; Hild, Sebastian

Purpose: Five tissue- and water-equivalent materials (TEMs) mimicking ICRU real tissues have been formulated using a previously established stoichiometric analysis method (SAM) to be applied in charged particle therapy. The purpose of this study was an experimental verification of the TEMs-SAM against charged particle beam measurements and for different computed tomography (CT) scanners. The potential of the TEMs-SAM to be employed in the dosimetry was also investigated. Methods: Experimental verification with three CT scanners was carried out to validate the calculated Hounsfield units (HUs) of the TEMs. Water-equivalent path lengths (WEPLs) of the TEMs for proton (106.8 MeV/u), helium (107.93more » MeV/u), and carbon (200.3 MeV/u) ions were measured to be compared with the computed relative stopping powers. HU calibration curves were also generated. Results: Differences between the measured HUs of the TEMs and the calculated HUs of the ICRU real tissues for all CT scanners were smaller than 4 HU except for the skeletal tissues which deviated up to 21 HU. The measured WEPLs verified the calculated WEPLs of the TEMs (maximum deviation was 0.17 mm) and were in good agreement with the calculated WEPLs of the ICRU real tissues (maximum deviation was 0.23 mm). Moreover, the relative stopping powers converted from the measured WEPLs differed less than 0.8% and 1.3% from the calculated values of the SAM and the ICRU, respectively. Regarding the relative nonelastic cross section per unit of volume for 200 MeV protons, the ICRU real tissues were generally well represented by the TEMs except for adipose which differed 3.8%. Further, the HU calibration curves yielded the mean and the standard deviation of the errors not larger than 0.5% and 1.9%, respectively. Conclusions: The results of this investigation implied the potential of the TEMs formulated using the SAM to be employed for both, beam dosimetry and HU calibration in charged particle therapy.« less

Electron Tomography: A Three-Dimensional Analytic Tool for Hard and Soft Materials Research.

PubMed

Ercius, Peter; Alaidi, Osama; Rames, Matthew J; Ren, Gang

2015-10-14

Three-dimensional (3D) structural analysis is essential to understand the relationship between the structure and function of an object. Many analytical techniques, such as X-ray diffraction, neutron spectroscopy, and electron microscopy imaging, are used to provide structural information. Transmission electron microscopy (TEM), one of the most popular analytic tools, has been widely used for structural analysis in both physical and biological sciences for many decades, in which 3D objects are projected into two-dimensional (2D) images. In many cases, 2D-projection images are insufficient to understand the relationship between the 3D structure and the function of nanoscale objects. Electron tomography (ET) is a technique that retrieves 3D structural information from a tilt series of 2D projections, and is gradually becoming a mature technology with sub-nanometer resolution. Distinct methods to overcome sample-based limitations have been separately developed in both physical and biological science, although they share some basic concepts of ET. This review discusses the common basis for 3D characterization, and specifies difficulties and solutions regarding both hard and soft materials research. It is hoped that novel solutions based on current state-of-the-art techniques for advanced applications in hybrid matter systems can be motivated. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electron Tomography: A Three-Dimensional Analytic Tool for Hard and Soft Materials Research

PubMed Central

Alaidi, Osama; Rames, Matthew J.

2016-01-01

Three-dimensional (3D) structural analysis is essential to understand the relationship between the structure and function of an object. Many analytical techniques, such as X-ray diffraction, neutron spectroscopy, and electron microscopy imaging, are used to provide structural information. Transmission electron microscopy (TEM), one of the most popular analytic tools, has been widely used for structural analysis in both physical and biological sciences for many decades, in which 3D objects are projected into two-dimensional (2D) images. In many cases, 2D-projection images are insufficient to understand the relationship between the 3D structure and the function of nanoscale objects. Electron tomography (ET) is a technique that retrieves 3D structural information from a tilt series of 2D projections, and is gradually becoming a mature technology with sub-nanometer resolution. Distinct methods to overcome sample-based limitations have been separately developed in both physical and biological science, although they share some basic concepts of ET. This review discusses the common basis for 3D characterization, and specifies difficulties and solutions regarding both hard and soft materials research. It is hoped that novel solutions based on current state-of-the-art techniques for advanced applications in hybrid matter systems can be motivated. PMID:26087941

Facile Synthesis and Characterization of ZrO₂ Nanoparticles via Modified Co-Precipitation Method.

PubMed

Ramachandran, M; Subadevi, R; Liu, Wei-Ren; Sivakumar, M

2018-01-01

The crystalline Zirconium oxide (ZrO2) nano particles were synthesized using optimized content of Zirconium nitrate (Zr(NO3)2·3H2O) with varying KOH concentration (0.5, 1 and 1.5 M) by co-precipitation method. The thermal history of the precursor was carefully analyzed through Thermogravimetric (TG/DTA) measurement. The as prepared samples were characterized to ensure structural, functional, morphological, compositional, chemical composition and band gap by X-ray diffractometer (XRD), Fourier transform infrared spectroscopy (FTIR), Laser Raman, scanning electron microscopy (SEM), High resolution Transverse Electron Microscopy (HR-TEM), X-ray photo electron spectroscopy (XPS), EDX, Photo luminescence spectroscopy (PL). The monoclinic structure with space group P21/c has been confirmed from XRD (JCPDS 89-9066). The Zr-O stretching vibration and Zr-O2-Zr bending vibrations were confirmed through FTIR analysis. The well dispersed particles with spherical morphology were confirmed through SEM and TEM analysis. The oxidation states of Zr, O and C were confirmed through XPS analysis. The oxygen vacancies and band gap of the particles were investigated through PL analysis.

Review on the targeted conjugation of anticancer drugs doxorubicin and tamoxifen with synthetic polymers for drug delivery.

PubMed

Sanyakamdhorn, S; Agudelo, D; Tajmir-Riahi, H A

2017-08-01

In this review, the binding and loading efficacy (LE) of anticancer drugs doxorubicin (DOX), tamoxifen (Tam) and its metabolites 4-hydroxytamoxifen (4-Hydroxytam) and endoxifen (Endox) with several synthetic polymers poly(ethylene glycol) (PEG), methoxypoly (ethylene glycol) polyamidoamine (mPEG-PAMAM-G3), and polyamidoamine (PAMAM-G4) dendrimers were compared in aqueous solution at pH 7.4. The results of multiple spectroscopic methods, transmission electron microscopy (TEM) and molecular modeling of conjugated drug-polymer were examined. Structural analysis showed that drug-polymer conjugation occurs mainly via H-bonding and hydrophobic contacts. The order of binding is PAMAM-G4 > mPEG-PAMAM-G3 > PEG-6000 with 4-hydroxttamoxifen forming more stable conjugate than tamoxifen and endoxifen. Doxorubicin shows stronger affinity for PAMAM-G4 than tamoxifen and its metabolites. The drug LE was 30-55%. TEM showed significant changes in the carrier morphology upon drug encapsulation. Modeling also showed that drug is located in the surface and in the internal cavities of PAMAM with DOX forming more stable polymer conjugates.

Atom Probe Tomography Analysis of Gallium-Nitride-Based Light-Emitting Diodes

NASA Astrophysics Data System (ADS)

Prosa, Ty J.; Olson, David; Giddings, A. Devin; Clifton, Peter H.; Larson, David J.; Lefebvre, Williams

2014-03-01

Thin-film light-emitting diodes (LEDs) composed of GaN/InxGa1-xN/GaN quantum well (QW) structures are integrated into modern optoelectronic devices because of the tunable InGaN band-gap enabling emission of the full visible spectrum. Atom probe tomography (APT) offers unique capabilities for 3D device characterization including compositional mapping of nano-volumes (>106 nm3) , high detection efficiency (>50%), and good sensitivity. In this study, APT is used to understand the distribution of dopants as well as Al and In alloying agents in a GaN device. Measurements using transmission electron microscopy (TEM) and secondary ion mass spectrometry (SIMS) have also been made to improve the accuracy of the APT analysis by correlating the information content of these complimentary techniques. APT analysis reveals various QW and other optoelectronic structures including a Mg p-GaN layer, an Al-rich electron blocking layer, an In-rich multi-QW region, and an In-based super-lattice structure. The multi-QW composition shows good quantitative agreement with layer thickness and spacing extracted from a high resolution TEM image intensity analysis.

Implicit SPH v. 1.0

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

Kim, Kyungjoo; Parks, Michael L.; Perego, Mauro

2016-11-09

ISPH code is developed to solve multi-physics meso-scale flow problems using implicit SPH method. In particular, the code can provides solutions for incompressible, multi phase flow and electro-kinetic flows.

Dopant mapping in thin FIB prepared silicon samples by Off-Axis Electron Holography.

PubMed

Pantzer, Adi; Vakahy, Atsmon; Eliyahou, Zohar; Levi, George; Horvitz, Dror; Kohn, Amit

2014-03-01

Modern semiconductor devices function due to accurate dopant distribution. Off-Axis Electron Holography (OAEH) in the transmission electron microscope (TEM) can map quantitatively the electrostatic potential in semiconductors with high spatial resolution. For the microelectronics industry, ongoing reduction of device dimensions, 3D device geometry, and failure analysis of specific devices require preparation of thin TEM samples, under 70 nm thick, by focused ion beam (FIB). Such thicknesses, which are considerably thinner than the values reported to date in the literature, are challenging due to FIB induced damage and surface depletion effects. Here, we report on preparation of TEM samples of silicon PN junctions in the FIB completed by low-energy (5 keV) ion milling, which reduced amorphization of the silicon to 10nm thick. Additional perpendicular FIB sectioning enabled a direct measurement of the TEM sample thickness in order to determine accurately the crystalline thickness of the sample. Consequently, we find that the low-energy milling also resulted in a negligible thickness of electrically inactive regions, approximately 4nm thick. The influence of TEM sample thickness, FIB induced damage and doping concentrations on the accuracy of the OAEH measurements were examined by comparison to secondary ion mass spectrometry measurements as well as to 1D and 3D simulations of the electrostatic potentials. We conclude that for TEM samples down to 100 nm thick, OAEH measurements of Si-based PN junctions, for the doping levels examined here, resulted in quantitative mapping of potential variations, within ~0.1 V. For thinner TEM samples, down to 20 nm thick, mapping of potential variations is qualitative, due to a reduced accuracy of ~0.3 V. This article is dedicated to the memory of Zohar Eliyahou. Copyright © 2014 Elsevier B.V. All rights reserved.

Simulation of the Thermal Response of Externally Cooled Ordnance Engulfed in Large Aviation Fuel Fires

DTIC Science & Technology

1990-09-01

400j.GE T (Io 1Q0 .(MELT ViH N- T ?A( 11 3 7( 2,( 1 TBEFORE AVG TEMP(OF) L] SIDE INTERFACE TE.M1P CALCULATE THERMAL CONDUCTIVITY CALCULATION | L... ISTE a AVG TEMP EXPLOSIVE SIDE OF INTERFACE AE-0 SLIU INT 00726 ENERGY GENERATED IS. (INT).LT. T •ELT(EXPL) T 0 EI"E’rNG I CALCULATE NEWl TEMP WIlTH

Development of an MRI-Guided Intra-Prostatic Needle Placement System

DTIC Science & Technology

2011-07-01

and intra-operative imaging using techniques such as those described by Haker , et al. [18]. Target points for the needle insertion are selected... Haker , S., Fichtinger, G., Tem- pany, C.: Transperineal prostate biopsy under magnetic resonance image guid- ance: A needle placement accuracy study 26...clinically localized prostate cancer. Int J Radiat Oncol Biol Phys 42(3), 507–515 (1998) 9. DiMaio, S.P., Pieper, S., Chinzei, K., Hata, N., Haker , S.J

The development of a thermal hydraulic feedback mechanism with a quasi-fixed point iteration scheme for control rod position modeling for the TRIGSIMS-TH application

NASA Astrophysics Data System (ADS)

Karriem, Veronica V.

Nuclear reactor design incorporates the study and application of nuclear physics, nuclear thermal hydraulic and nuclear safety. Theoretical models and numerical methods implemented in computer programs are utilized to analyze and design nuclear reactors. The focus of this PhD study's is the development of an advanced high-fidelity multi-physics code system to perform reactor core analysis for design and safety evaluations of research TRIGA-type reactors. The fuel management and design code system TRIGSIMS was further developed to fulfill the function of a reactor design and analysis code system for the Pennsylvania State Breazeale Reactor (PSBR). TRIGSIMS, which is currently in use at the PSBR, is a fuel management tool, which incorporates the depletion code ORIGEN-S (part of SCALE system) and the Monte Carlo neutronics solver MCNP. The diffusion theory code ADMARC-H is used within TRIGSIMS to accelerate the MCNP calculations. It manages the data and fuel isotopic content and stores it for future burnup calculations. The contribution of this work is the development of an improved version of TRIGSIMS, named TRIGSIMS-TH. TRIGSIMS-TH incorporates a thermal hydraulic module based on the advanced sub-channel code COBRA-TF (CTF). CTF provides the temperature feedback needed in the multi-physics calculations as well as the thermal hydraulics modeling capability of the reactor core. The temperature feedback model is using the CTF-provided local moderator and fuel temperatures for the cross-section modeling for ADMARC-H and MCNP calculations. To perform efficient critical control rod calculations, a methodology for applying a control rod position was implemented in TRIGSIMS-TH, making this code system a modeling and design tool for future core loadings. The new TRIGSIMS-TH is a computer program that interlinks various other functional reactor analysis tools. It consists of the MCNP5, ADMARC-H, ORIGEN-S, and CTF. CTF was coupled with both MCNP and ADMARC-H to provide the heterogeneous temperature distribution throughout the core. Each of these codes is written in its own computer language performing its function and outputs a set of data. TRIGSIMS-TH provides an effective use and data manipulation and transfer between different codes. With the implementation of feedback and control- rod-position modeling methodologies, the TRIGSIMS-TH calculations are more accurate and in a better agreement with measured data. The PSBR is unique in many ways and there are no "off-the-shelf" codes, which can model this design in its entirety. In particular, PSBR has an open core design, which is cooled by natural convection. Combining several codes into a unique system brings many challenges. It also requires substantial knowledge of both operation and core design of the PSBR. This reactor is in operation decades and there is a fair amount of studies and developments in both PSBR thermal hydraulics and neutronics. Measured data is also available for various core loadings and can be used for validation activities. The previous studies and developments in PSBR modeling also aids as a guide to assess the findings of the work herein. In order to incorporate new methods and codes into exiting TRIGSIMS, a re-evaluation of various components of the code was performed to assure the accuracy and efficiency of the existing CTF/MCNP5/ADMARC-H multi-physics coupling. A new set of ADMARC-H diffusion coefficients and cross sections was generated using the SERPENT code. This was needed as the previous data was not generated with thermal hydraulic feedback and the ARO position was used as the critical rod position. The B4C was re-evaluated for this update. The data exchange between ADMARC-H and MCNP5 was modified. The basic core model is given a flexibility to allow for various changes within the core model, and this feature was implemented in TRIGSIMS-TH. The PSBR core in the new code model can be expanded and changed. This allows the new code to be used as a modeling tool for design and analyses of future code loadings.

AHF: Array-Based Half-Facet Data Structure for Mixed-Dimensional and Non-manifold Meshes

DTIC Science & Technology

2013-10-13

19a. NAME OF RESPONSIBLE PERSON 19b. TELEPHONE NUMBER James Glimm V. Dyedov, N. Ray, D. Einstein , X. Jiao, T.J. Tautges 611102 c. THIS PAGE The...Ray, D. Einstein , X. Jiao, and T. Tautges mesh data structures. Examples of such new demanding applications include coupled multiphysics simulations and...be composed of a union of topologically 1-D, 2-D, 4 V. Dyedov, N. Ray, D. Einstein , X. Jiao, and T. Tautges and 3-D objects, such as a mixture of

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

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

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

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

Fabrication and characterization of akaganeite/graphene oxide nanocomposite for arsenic removal from water

NASA Astrophysics Data System (ADS)

Trang, Nguyen Thi Thuy; Thy, Lu Thi Mong; Cuong, Pham Mai; Tu, Tran Hoang; Hieu, Nguyen Huu

2018-04-01

In this study, akageneite/graphene oxide (β-FeOOH/GO) nanocomposite was fabricated by in situ forced hydrolysis of iron (III) chloride. The structure and morphology of β-FeOOH/GO were characterized by Fourier Transform Infrared Spectroscopy (FTIR), X-ray diffraction (XRD), transmission electron microscopy (TEM), and Brunauer-Emmett- Teller (BET) specific surface area. XRD, FTIR, and TEM results indicated that β-FeOOH nanoparticles were successfully decorated on the surface of GO nanosheets. The BET specific surface area of β-FeOOH/GO was observed of 97.94 m2/g. The nanocomposite was used as an adsorbent for removal of arsenic (As5+) from water. Adsorption experiments were carried out to investigate contact time, pH values, and As5+ initial concentrations. The adsorption equilibrium time was reached within 180 minutes. The adsorption was well-fitted by a pseudo-second-order kinetic and Langmuir isotherm model. The maximum adsorption capacity of β-FeOOH/GO for As5+ ions of 94.34 mg/g that was calculated from the Langmuir model at pH 3. Accordingly, the nanocomposite β-FeOOH/GO could be considered as a highly efficient adsorbent for removing arsenic from water.

Synthesis and characterization of struvite nano particles

NASA Astrophysics Data System (ADS)

Rathod, K. R.; Jogiya, B. V.; Chauhan, C. K.; Joshi, M. J.

2015-06-01

Struvite, Ammonium Magnesium Phosphate Hexahydrate [(AMPH) - (NH4)MgPO4.6(H2O)], is one of the fascinating inorganic phosphate minerals. Struvite is one of the components of the urinary stones. Struvite occurs as crystallites in urine and grows as a type of kidney stone. In this study, struvite nano particles were synthesized by wet chemical technique. The aqueous solutions containing dissolved Mg(CH3COO)2.4H2O and (NH4)H2PO4 mixed at the Mg/P molar ratio of 1.00. The synthesized struvite nano particles were characterized by XRD, FT-IR, Thermal Analysis and TEM. From XRD, crystal structure of the nano particle was found to be orthorhombic and crystalline size was found to be within 11 to 26 nm. The FT-IR spectrum for the struvite nano particles confirmed the presence of a water molecule and metal-oxygen stretching vibration, O-H stretching and bending, N-H bending and stretching, P-O bending and stretching vibrations. The Thermal Analysis was carried out from room temperature to 900°C. From TEM analysis, particle size was 23 to 30 nm. All the results were compared with bulk struvite.

Complete Tem-Tomography: 3D Structure of Gems Cluster

NASA Technical Reports Server (NTRS)

Matsuno, J.; Miyake, A.; Tsuchiyama, A.; Messenger, S.; Nakamura-Messenger, K.

2015-01-01

GEMS (glass with embedded metal and sulfide) grains in interplanetary dust particles (IDPs) are considered to be one of the ubiquitous and fundamental building blocks of solids in the Solar System. They have been considered to be interstellar silicate dust that survived various metamorphism or alteration processes in the protoplanetary disk but the elemental and isotopic composition measurements suggest that most of them have been formed in the protoplanetary disk as condensates from high temperature gas. This formation model is also supported by the formation of GEMS-like grains with respect to the size, mineral assemblage, texture and infrared spectrum by condensation experiments from mean GEMS composition materials. Previous GEMS studies were performed only with 2D observation by transmission electron microscopy (TEM) or scanning TEM (STEM). However, the 3D shape and structure of GEMS grains and the spatial distribution of Fe/FeS's has critical information about their formation and origin. Recently, the 3D structure of GEMS grains in ultrathin sections of cluster IDPs was revealed by electron tomography using a TEM/STEM (JEM-2100F, JEOL). However, CT images of thin sections mounted on Cu grids acquired by conventional TEM-tomography are limited to low tilt angles (e. g., less than absolute value of 75 deg. In fact, previous 3D TEM observations of GEMS were affected by some artifacts related to the limited tilt range in the TEM used. Complete tomographic images should be acquired by rotating the sample tilt angle over a range of more than absolute value of 80 deg otherwise the CT images lose their correct structures. In order to constrain the origin and formation process of GEMS grains more clearly, we performed complete electron tomography for GEMS grains. Here we report the sample preparation method we have developed for this study, and the preliminary results.

Synthesis of nano-sized ZnO particles by co-precipitation method with variation of heating time

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

Purwaningsih, S. Y., E-mail: sriyanisaputri@gmail.com; Pratapa, S.; Triwikantoro

Zinc oxide powders have been synthesized by a co-precipitation method at low temperature (85 °C), using zinc acetate dihydrate, ammonia, hydrochloric acid solutions as the reactants. A number of process parameters such as reaction temperature, solution basicity or pH and heating time are the main factors affecting the morphology and physical properties of the ZnO nanostructures. In this work the effect of heating time on the morphology and particles size were studied. The as-synthesized ZnO powders were characterized using transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques. The samples were also analyzed using Fourier transform infrared (FTIR). Rietveld refinementmore » of XRD data confirms that ZnO crystallizes in the hexagonal wurtzite structure with high degree of purity and the (101) plane predominant. The XRD results show that the average crystallite sizes were about 66, 27 and 12 nm for 3, 4 and 5 h of heating times, respectively. The XRD analysis indicated that a fraction of nano-sized ZnO powders were in the form of aggregates, which was also verified by TEM image. The TEM photograph demonstrated that the nano-sized ZnO particles were a pseudo-spherical shape.« less

Antimicrobial susceptibility, risk factors and prevalence of bla cefotaximase, temoneira, and sulfhydryl variable genes among Escherichia coli in community-acquired pediatric urinary tract infection.

PubMed

Nisha, Kallyadan V; Veena, Shetty A; Rathika, Shenoy D; Vijaya, Shenoy M; Avinash, Shetty K

2017-01-01

The emergence of extended-spectrum beta-lactamase (ESBL)-producing Escherichia coli has become an important challenge among pediatric patients with community-acquired urinary tract infection (UTI). The aim of this study was to assess the antimicrobial susceptibility patterns, associated risk factors and to survey the frequency of bla cefotaximase (CTX-M), bla temoneira (TEM), and bla sulfhydryl variable (SHV) genotypes in ESBL-producing E. coli isolated from children with community-acquired UTI. This was a prospective study conducted from November 2012 to March 2016 in a tertiary care center. E. coli isolated in urine cultures from children aged ≤18 years was identified and confirmed for ESBL production. ESBL-positive strains were screened for ESBL encoding genes. Chi-square test and Fisher's exact test were used to compare the difference in antibiotic susceptibility with respect to ESBL positive and negative, and binary logistic regression was used to identify the risk factors associated with ESBL production. Among 523 E. coli isolates, 196 (37.5%) were ESBL positive, >90% were resistant to cephalosporins, and 56% were resistant to fluoroquinolones. Least resistance was observed for imipenem, netilmicin, and nitrofurantoin (2%, 8.6%, 15.3%). Association between ESBL production and drug resistance was significant for ceftazidime ( P < 0.001), cefixime ( P < 0.001), cefotaxime ( P = 0.010), ceftazidime-clavulanic acid ( P < 0.001), levofloxacin ( P = 0.037), and gentamicin ( P = 0.047) compared to non-ESBL E. coli . CTX-M gene was the most prevalent (87.5%), followed by TEM (68.4%) and SHV (3.1%). Previous history of UTI and intake of antibiotics were the common risk factors. ESBL-producing E. coli from community-acquired pediatric UTI carries more than one type of beta-lactamase coding genes correlating their increased antibiotic resistance. Aggressive infection control policy, routine screening for detecting ESBL isolates in clinical samples, and antimicrobial stewardship are the keys to prevent their dissemination in community settings.

A simple and rapid creatinine sensing via DLS selectivity, using calix[4]arene thiol functionalized gold nanoparticles.

PubMed

Sutariya, Pinkesh G; Pandya, Alok; Lodha, Anand; Menon, Shobhana K

2016-01-15

A new, simple, ultra-sensitive and selective approach has been reported for the "on spot" colorimetric detection of creatinine based on calix[4]arene functionalized gold nanoparticles (AuNPs) with excellent discrimination in the presence of other biomolecules. The lower detection limit of the method is 2.16nM. The gold nanoparticles and p-tert-butylcalix[4]arene were synthesized by microwave assisted method. Specifically, in our study, we used dynamic light scattering (DLS) which is a powerful method for the determination of small changes in particle size, improved selectivity and sensitivity of the creatinine detection system over colorimetric method. The nanoassembly is characterized by Transmission electron microscopy (TEM), DLS, UV-vis and ESI-MS spectroscopy, which demonstrates the binding affinity due its ability of hydrogen bonding and electrostatic interaction between -NH group of creatinine and pSDSC4. It exhibits fast response time (<60s) to creatinine and has long shelf-life (>5 weeks). The developed pSDSC4-AuNPs based creatinine biosensor will be established as simple, reliable and accurate tool for the determination of creatinine in human urine samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Creating and facilitating change for Person-Centred Coordinated Care (P3C): The development of the Organisational Change Tool (P3C-OCT).

PubMed

Horrell, Jane; Lloyd, Helen; Sugavanam, Thavapriya; Close, James; Byng, Richard

2018-04-01

Person Centred Coordinated Care (P3C) is a UK priority for patients, carers, professionals, commissioners and policy makers. Services are developing a range of approaches to deliver this care with a lack of tools to guide implementation. A scoping review and critical examination of current policy, key literature and NHS guidelines, together with stakeholder involvement led to the identification of domains, subdomains and component activities (processes and behaviours) required to deliver P3C. These were validated through codesign with stakeholders via a series of workshops and cognitive interviews. Six core domains of P3C were identified as follows: (i) my goals, (ii) care planning, (iii) transitions, (iv) decision making (v), information and communication and (vi) organizational support activities. These were populated by 29 core subdomains (question items). A number of response codes (components) to each question provide examples of the processes and activities that can be actioned to achieve each core subdomain of P3C. The P3C-OCT provides a coherent approach to monitoring progress and supporting practice development towards P3C. It can be used to generate a shared understanding of the core domains of P3C at a service delivery level, and support reorganization of care for those with complex needs. The tool can reliably detect change over time, as demonstrated in a sample of 40 UK general practices. It is currently being used in four UK evaluations of new models of care and being further developed as a training tool for the delivery of P3C. © 2017 The Authors Health Expectations Published by John Wiley & Sons Ltd.

Anisotropic transport properties of the two-dimensional electron gas in ordered-disordered GaInP2 homojunctions: The structure of ordered domains

NASA Astrophysics Data System (ADS)

Driessen, F. A. J. M.; Bauhuis, G. J.; Hageman, P. R.; van Geelen, A.; Giling, L. J.

1994-12-01

The modulation-doped ordered-GaInP2/disordered-GaInP2 homojunction is presented. Capacitance-voltage (CV) profiling techniques, temperature-dependent Hall and resistivity measurements, cross-sectional transverse electron micrographs (TEM), and high-field magnetotransport have been used to characterize this structure grown by metal-organic vapor-phase epitaxy. The CV measurements showed a narrow profile at the homointerface with an order of magnitude reduction in carrier density within 3 nm. Typical two-dimensional behavior was observed from Hall data showing sheet carrier densities as high as 3.6×1013 cm-2 without carrier freeze-out, and constant mobilities around 900 cm2 V-1 s-1 below T=100 K. The 300-K channel conductivity of this junction is 3.2×10-3 Ω-1, which is higher than reported for other two-dimensional electron gases. By proper choice of the substrate orientation, domains of only the (111¯) ordering variant were present. TEM showed elongated shapes of average thickness 3.5-6 nm and length 75 nm in the (011) plane. By using Hall bars with different current directions, an asymmetry is observed for the contributions to the scattering mechanisms which determine the mobility: ``mesoscopic'' interface-roughness scattering for T<100 K and cluster scattering for 100300 K indicates strong electron-phonon coupling. This asymmetry shows that the domain length in the (011) plane is larger than that in the (011¯) plane. The magnetoresistance ρxx and the Hall resistance ρxy show oscillations in reciprocal magnetic field involving an excited subband i with ni2D=7.6×1011 cm-2, where 2D denotes two dimensional. The ρxy versus B curve shows features of a slight parallel conduction.

Diversity of β-lactamases produced by imipenem resistant, Pseudomonas aeruginosa isolates from the bloodstream.

PubMed

Najar Peerayeh, Shahin; Pirhajati Mahabadi, Rahim; Pakbaten Toupkanlou, Sanaz; Siadat, Seyed Davar

2014-11-01

The emergence of imipenem non-susceptible Pseudomonas aeruginosa isolates is a matter of great concern because these isolates can become resistant to all available antibiotics. This study conducted to characterize β-lactamase genes in imipenem resistant P. aeruginosa isolates from bloodstream. 56 non-duplicate clinical isolates of P. aeruginosa were collected in Tehran hospitals. Antibacterial susceptibility was determined by disk diffusion and MIC methods. ESBL and MBL production was confirmed by combined disk. β-Lactamase classes A, B and D genes were identified by PCR. Seventeen (30.3%) isolates were imipenem resistant for which 16 isolates simultaneously were resistant to all tested antibiotics. While among 39 imipenem susceptible isolates, only two isolates were resistant to all tested antibiotics. In imipenem resistant isolates, blaTEM, blaSHV and blaOXA-10 were found in 41.1% of isolates and blaVIM, blaIMP and blaPER were identified in 47%, 11.7% and 5.8% of isolates respectively, while in imipenem susceptible isolates, blaTEM, blaSHV and blaOXA-10 were determined in 2.5%, 7.6% and 33.3% of isolates, respectively. The imipenem resistant isolates had been recovered mostly (67.7%) from patients in the Burn hospital. The result of this study indicated the emergence of multidrug resistant MBL and non-MBL producing P. aeruginosa, particularly in the Burn hospital and blaVIM was dominant β-lactamase genes in imipenem resistant isolates. The isolation of carrier patients may lead to prevent a further dissemination. Copyright © 2014 Elsevier Ltd and ISBI. All rights reserved.

In vitro impairment of whole blood coagulation and platelet function by hypertonic saline hydroxyethyl starch.

PubMed

Hanke, Alexander A; Maschler, Stephanie; Schöchl, Herbert; Flöricke, Felix; Görlinger, Klaus; Zanger, Klaus; Kienbaum, Peter

2011-02-10

Hypertonic saline hydroxyethyl starch (HH) has been recommended for first line treatment of hemorrhagic shock. Its effects on coagulation are unclear. We studied in vitro effects of HH dilution on whole blood coagulation and platelet function. Furthermore 7.2% hypertonic saline, 6% hydroxyethylstarch (as ingredients of HH), and 0.9% saline solution (as control) were tested in comparable dilutions to estimate specific component effects of HH on coagulation. The study was designed as experimental non-randomized comparative in vitro study. Following institutional review board approval and informed consent blood samples were taken from 10 healthy volunteers and diluted in vitro with either HH (HyperHaes, Fresenius Kabi, Germany), hypertonic saline (HT, 7.2% NaCl), hydroxyethylstarch (HS, HAES6%, Fresenius Kabi, Germany) or NaCl 0.9% (ISO) in a proportion of 5%, 10%, 20% and 40%. Coagulation was studied in whole blood by rotation thrombelastometry (ROTEM) after thromboplastin activation without (ExTEM) and with inhibition of thrombocyte function by cytochalasin D (FibTEM), the latter was performed to determine fibrin polymerisation alone. Values are expressed as maximal clot firmness (MCF, [mm]) and clotting time (CT, [s]). Platelet aggregation was determined by impedance aggregrometry (Multiplate) after activation with thrombin receptor-activating peptide 6 (TRAP) and quantified by the area under the aggregation curve (AUC [aggregation units (AU)/min]). Scanning electron microscopy was performed to evaluate HyperHaes induced cell shape changes of thrombocytes. 2-way ANOVA for repeated measurements, Bonferroni post hoc test, p < 0.01. Dilution impaired whole blood coagulation and thrombocyte aggregation in all dilutions in a dose dependent fashion. In contrast to dilution with ISO and HS, respectively, dilution with HH as well as HT almost abolished coagulation (MCFExTEM from 57.3 ± 4.9 mm (native) to 1.7 ± 2.2 mm (HH 40% dilution; p < 0.0001) and to 6.6 ± 3.4 mm (HT 40% dilution; p < 0.0001) and thrombocyte aggregation (AUC from 1067 ± 234 AU/mm (native) to 14.5 ± 12.5 AU/mm (HH 40% dilution; p < 0.0001) and to 20.4 ± 10.4 AU/min (HT 40% dilution; p < 0.0001) without differences between HH and HT (MCF: p = 0.452; AUC: p = 0.449). HH impairs platelet function during in vitro dilution already at 5% dilution. Impairment of whole blood coagulation is significant after 10% dilution or more. This effect can be pinpointed to the platelet function impairing hypertonic saline component and to a lesser extend to fibrin polymerization inhibition by the colloid component or dilution effects.Accordingly, repeated administration and overdosage should be avoided.

In Vitro impairment of whole blood coagulation and platelet function by hypertonic saline hydroxyethyl starch

PubMed Central

2011-01-01

Background Hypertonic saline hydroxyethyl starch (HH) has been recommended for first line treatment of hemorrhagic shock. Its effects on coagulation are unclear. We studied in vitro effects of HH dilution on whole blood coagulation and platelet function. Furthermore 7.2% hypertonic saline, 6% hydroxyethylstarch (as ingredients of HH), and 0.9% saline solution (as control) were tested in comparable dilutions to estimate specific component effects of HH on coagulation. Methods The study was designed as experimental non-randomized comparative in vitro study. Following institutional review board approval and informed consent blood samples were taken from 10 healthy volunteers and diluted in vitro with either HH (HyperHaes®, Fresenius Kabi, Germany), hypertonic saline (HT, 7.2% NaCl), hydroxyethylstarch (HS, HAES6%, Fresenius Kabi, Germany) or NaCl 0.9% (ISO) in a proportion of 5%, 10%, 20% and 40%. Coagulation was studied in whole blood by rotation thrombelastometry (ROTEM) after thromboplastin activation without (ExTEM) and with inhibition of thrombocyte function by cytochalasin D (FibTEM), the latter was performed to determine fibrin polymerisation alone. Values are expressed as maximal clot firmness (MCF, [mm]) and clotting time (CT, [s]). Platelet aggregation was determined by impedance aggregrometry (Multiplate) after activation with thrombin receptor-activating peptide 6 (TRAP) and quantified by the area under the aggregation curve (AUC [aggregation units (AU)/min]). Scanning electron microscopy was performed to evaluate HyperHaes induced cell shape changes of thrombocytes. Statistics: 2-way ANOVA for repeated measurements, Bonferroni post hoc test, p < 0.01. Results Dilution impaired whole blood coagulation and thrombocyte aggregation in all dilutions in a dose dependent fashion. In contrast to dilution with ISO and HS, respectively, dilution with HH as well as HT almost abolished coagulation (MCFExTEM from 57.3 ± 4.9 mm (native) to 1.7 ± 2.2 mm (HH 40% dilution; p < 0.0001) and to 6.6 ± 3.4 mm (HT 40% dilution; p < 0.0001) and thrombocyte aggregation (AUC from 1067 ± 234 AU/mm (native) to 14.5 ± 12.5 AU/mm (HH 40% dilution; p < 0.0001) and to 20.4 ± 10.4 AU/min (HT 40% dilution; p < 0.0001) without differences between HH and HT (MCF: p = 0.452; AUC: p = 0.449). Conclusions HH impairs platelet function during in vitro dilution already at 5% dilution. Impairment of whole blood coagulation is significant after 10% dilution or more. This effect can be pinpointed to the platelet function impairing hypertonic saline component and to a lesser extend to fibrin polymerization inhibition by the colloid component or dilution effects. Accordingly, repeated administration and overdosage should be avoided. PMID:21310047

Bonding performance of experimental bioactive/biomimetic self-etch adhesives doped with calcium-phosphate fillers and biomimetic analogs of phosphoproteins.

PubMed

Abuna, Gabriel; Feitosa, Victor P; Correr, Americo Bortolazzo; Cama, Giuseppe; Giannini, Marcelo; Sinhoreti, Mario A; Pashley, David H; Sauro, Salvatore

2016-09-01

This study examined the bonding performance and dentin remineralization potential of an experimental adhesive containing calcium-phosphate (Ca/P) micro-fillers, and self-etching primers doped with phosphoprotein biomimetic analogs (polyacrylic acid-(PAA) and/or sodium trimetaphosphate-(TMP)). Experimental self-etching primers doped with biomimetic analogs (PAA and/or TMP), and an adhesive containing Ca(2+), PO4(-3)-releasing micro-fillers (Ca/P) were formulated. Sound human dentin specimens were bonded and cut into sticks after aging (24h or 6 months) under simulated pulpal pressure (20cm H2O), and tested for microtensile bond strength (μTBS). Results were analyzed using two-way ANOVA and Tukey's test (p<0.05). Interfacial silver nanoleakage was assessed using SEM. Remineralization of EDTA-demineralized dentin was assessed through FTIR and TEM ultrastructural analysis. Application of the Ca/P-doped adhesive with or without dentin pre-treatments with the primer containing both biomimetic analogs (PAA and TMP) promoted stable μTBS over 6 months. Conversely, μTBS of the control primer and filler-free adhesive significantly decreased after 6 months. Nanoleakage decreased within the resin-dentin interfaces created using the Ca/P-doped adhesives. EDTA-demineralized dentin specimens treated the Ca/P-doped adhesive and the primer containing PAA and TMP showed phosphate uptake (FTIR analysis), as well as deposition of needle-like crystallites at intrafibrillar level (TEM analysis). The use of Ca/P-doped self-etching adhesives applied in combination with analogs of phosphoproteins provides durable resin-dentin bonds. This approach may represent a suitable bonding strategy for remineralization of intrafibrillar dentin collagen within the resin-dentin interface. Copyright © 2016 Elsevier Ltd. All rights reserved.

Patient-Entered Wellness Data and Tailored Electronic Recommendations Increase Preventive Care.

PubMed

Foucher-Urcuyo, Julie; Longworth, David; Roizen, Michael; Hu, Bo; Rothberg, Michael B

2017-01-01

We investigated whether a tool using patient-entered wellness data to generate tailored electronic recommendations improved preventive care delivery. We conducted a mixed-methods retrospective study of primary care encounters utilizing an Integrated Wellness Tool with a matched-comparison before-and-after study design. Encounters took place at a single clinic within the Cleveland Clinic Health System. The primary outcome was preventive orders placed. Index patients were matched, based on propensity scores, with comparison patients seen in the same clinic several months earlier. Five providers conducted 863 patient encounters using the tool during the study period. During encounters using the tool, providers placed more orders for smoking cessation programs (2.4 vs 0.5%, P < .01), lifestyle medicine (2.4 vs 0%, P < .01) and psychology (2.3 vs 1.0%, P = .04) consults, online nutrition (2.4 vs 1.4%, P = .04) and stress management (5.5 vs 0.9%, P < .01) programs, spirometry (5.9 vs 1.7%, P < .01) and polysomnography (6.3 vs 1.3%, P < .01) tests, and antidepressant (7.2 vs 3.9%, P = .01) and hypnotic (2.2 vs 0.7%, P = .01) medications when compared with matched encounters. Patients are willing to enter lifestyle data, and these data influence provider orders. © Copyright 2017 by the American Board of Family Medicine.

p3d--Python module for structural bioinformatics.

PubMed

Fufezan, Christian; Specht, Michael

2009-08-21

High-throughput bioinformatic analysis tools are needed to mine the large amount of structural data via knowledge based approaches. The development of such tools requires a robust interface to access the structural data in an easy way. For this the Python scripting language is the optimal choice since its philosophy is to write an understandable source code. p3d is an object oriented Python module that adds a simple yet powerful interface to the Python interpreter to process and analyse three dimensional protein structure files (PDB files). p3d's strength arises from the combination of a) very fast spatial access to the structural data due to the implementation of a binary space partitioning (BSP) tree, b) set theory and c) functions that allow to combine a and b and that use human readable language in the search queries rather than complex computer language. All these factors combined facilitate the rapid development of bioinformatic tools that can perform quick and complex analyses of protein structures. p3d is the perfect tool to quickly develop tools for structural bioinformatics using the Python scripting language.

Multiphysics Modeling of Microwave Heating of a Frozen Heterogeneous Meal Rotating on a Turntable.

PubMed

Pitchai, Krishnamoorthy; Chen, Jiajia; Birla, Sohan; Jones, David; Gonzalez, Ric; Subbiah, Jeyamkondan

2015-12-01

A 3-dimensional (3-D) multiphysics model was developed to understand the microwave heating process of a real heterogeneous food, multilayered frozen lasagna. Near-perfect 3-D geometries of food package and microwave oven were used. A multiphase porous media model combining the electromagnetic heat source with heat and mass transfer, and incorporating phase change of melting and evaporation was included in finite element model. Discrete rotation of food on the turntable was incorporated. The model simulated for 6 min of microwave cooking of a 450 g frozen lasagna kept at the center of the rotating turntable in a 1200 W domestic oven. Temperature-dependent dielectric and thermal properties of lasagna ingredients were measured and provided as inputs to the model. Simulated temperature profiles were compared with experimental temperature profiles obtained using a thermal imaging camera and fiber-optic sensors. The total moisture loss in lasagna was predicted and compared with the experimental moisture loss during cooking. The simulated spatial temperature patterns predicted at the top layer was in good agreement with the corresponding patterns observed in thermal images. Predicted point temperature profiles at 6 different locations within the meal were compared with experimental temperature profiles and root mean square error (RMSE) values ranged from 6.6 to 20.0 °C. The predicted total moisture loss matched well with an RMSE value of 0.54 g. Different layers of food components showed considerably different heating performance. Food product developers can use this model for designing food products by understanding the effect of thickness and order of each layer, and material properties of each layer, and packaging shape on cooking performance. © 2015 Institute of Food Technologists®

Structure and Dynamics of Domains in Ferroelectric Nanostructures. In-situ TEM Studies

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

Pan, Xiaoqing

2015-06-30

The goal of this project was to explore the structure and dynamic behaviors of ferroelectric domains in ferroelectric thin films and nanostructures by advanced transmission electron microscopy (TEM) techniques in close collaboration with phase field modeling. The experimental techniques used include aberration-corrected sub-Å resolution TEM and in-situ TEM using a novel scanning tunneling microscopy (STM) - TEM holder that allows the direct observation of nucleation and dynamic evolution of ferroelectric domains under applied electric field. Specifically, this project was aimed to (1) to study the roles of static electrical boundary conditions and electrical charge in controlling the equilibrium domain structuresmore » of BiFeO 3 thin films with controlled substrate constraints, (2) to explore the fundamental mechanisms of ferroelectric domain nucleation, growth, and switching under an applied electric field in both uniform thin films and nanostructures, and to understand the roles of crystal defects such as dislocations and interfaces in these processes, (3) to understand the physics of ferroelectric domain walls and the influence of defects on the electrical switching of ferroelectric domains.« less

Inactivation of a class A and a class C β-lactamase by 6β-(hydroxymethyl)penicillanic acid sulfone

PubMed Central

Papp-Wallace, Krisztina M.; Bethel, Christopher R.; Gootz, Thomas D.; Shang, Wenchi; Stroh, Justin; Lau, William; McLeod, Dale; Price, Loren; Marfat, Anthony; Distler, Anne; Drawz, Sarah M.; Chen, Hansong; Harry, Emily; Nottingham, Micheal; Carey, Paul R.; Buynak, John D.; Bonomo, Robert A.

2012-01-01

β-Lactamase inhibitors (clavulanic acid, sulbactam, and tazobactam) contribute significantly to the longevity of the β-lactam antibiotics used to treat serious infections. In the quest to design more potent compounds and to understand the mechanism of action of known inhibitors, 6β-(hydroxymethyl)penicillanic acid sulfone (6β-HM-sulfone) was tested against isolates expressing the class A TEM-1 β-lactamase and a clinically important variant of the AmpC cephalosporinase of Pseudomonas aeruginosa, PDC-3. The addition of the 6β-HM-sulfone inhibitor to ampicillin was highly effective. 6β-HM-sulfone inhibited TEM-1 with an IC50 of 12 ± 2 nM and PDC-3 with an IC50 of 180 ± 36 nM, and displayed lower partition ratios than commercial inhibitors, with partition ratios (kcat/kinact) equal to 174 for TEM-1 and 4 for PDC-3. Measured for 20 h, 6β-HM-sulfone demonstrated rapid, first-order inactivation kinetics with the extent of inactivation being related to the concentration of inhibitor for both TEM-1 and PDC-3. Using mass spectrometry to gain insight into the intermediates of inactivation of this inhibitor, 6β-HM-sulfone was found to form a major adduct of +247 ± 5 Da with TEM-1 and +245 ± 5 Da with PDC-3, suggesting that the covalently bound, hydrolytically stabilized acyl-enzyme has lost a molecule of water (H–O–H). Minor adducts of +88 ± 5 Da with TEM-1 and +85 ± 5 Da with PDC-3 revealed that fragmentation of the covalent adduct can result but appeared to occur slowly with both enzymes. 6β-HM-sulfone is an effective and versatile β-lactamase inhibitor of representative class A and C enzymes. PMID:22155308

Bio-precipitation of uranium by two bacterial isolates recovered from extreme environments as estimated by potentiometric titration, TEM and X-ray absorption spectroscopic analyses.

PubMed

Merroun, Mohamed L; Nedelkova, Marta; Ojeda, Jesus J; Reitz, Thomas; Fernández, Margarita López; Arias, José M; Romero-González, María; Selenska-Pobell, Sonja

2011-12-15

This work describes the mechanisms of uranium biomineralization at acidic conditions by Bacillus sphaericus JG-7B and Sphingomonas sp. S15-S1 both recovered from extreme environments. The U-bacterial interaction experiments were performed at low pH values (2.0-4.5) where the uranium aqueous speciation is dominated by highly mobile uranyl ions. X-ray absorption spectroscopy (XAS) showed that the cells of the studied strains precipitated uranium at pH 3.0 and 4.5 as a uranium phosphate mineral phase belonging to the meta-autunite group. Transmission electron microscopic (TEM) analyses showed strain-specific localization of the uranium precipitates. In the case of B. sphaericus JG-7B, the U(VI) precipitate was bound to the cell wall. Whereas for Sphingomonas sp. S15-S1, the U(VI) precipitates were observed both on the cell surface and intracellularly. The observed U(VI) biomineralization was associated with the activity of indigenous acid phosphatase detected at these pH values in the absence of an organic phosphate substrate. The biomineralization of uranium was not observed at pH 2.0, and U(VI) formed complexes with organophosphate ligands from the cells. This study increases the number of bacterial strains that have been demonstrated to precipitate uranium phosphates at acidic conditions via the activity of acid phosphatase. Copyright © 2011 Elsevier B.V. All rights reserved.

Development and Preliminary In vitro Evaluation of Nanomicelles Laden In situ Gel of Dexamethasone for Ophthalmic Delivery

NASA Astrophysics Data System (ADS)

Chowdhury, Pallabita

In our previous work we developed and characterized 0.1% dexamethasone mixed nanomicelles (DMN). DMN were prepared using surfactants polyoxyl 40 stearate (P40S) and polysorbate 80 (P80), which are approved by the FDA for ocular use. The present study builds on the previous work by developing and evaluating nanomicelles laden in situ gel of 0.1% dexamethasone (DMN-ISG) with potential for treating anterior segment eye inflammations. DMN-ISG was prepared by mixing the basic 2X formulation of DMN with appropriate concentrations of gellan gum, mannitol, benzododecinium bromide and tromethamine. DMN-ISG was characterized for gelation, viscosity, transparency, morphology using Transmission Electron Microscopy (TEM), thermoanalysis using Differential Scanning Calorimetry (DSC), in vitro drug release and sterility. DMN prepared with an optimized composition of P40S/P80=7/3 by weight were used in the preparation of DMN-ISG. TEM image of DMN-ISG showed the presence of dexamethasone nanomicelles in the size range between 20-40 nm entrapped in the gel structure. More than 50% of the drug was released from DMN-ISG in the first few hours and the remaining drug was released in a sustained manner for up to 30 h. Aseptically prepared DMN-ISG formulation remained sterile for up to 14 days. The preliminary findings of our investigation suggest that DMN-ISG has the potential for use in treating anterior segment eye inflammations. Further in vivo evaluation is warranted.

Effect of acidity on the citrate-nitrate combustion synthesis of alumina-zirconia composite powder

NASA Astrophysics Data System (ADS)

Chandradass, J.; Kim, Ki Hyeon

2009-12-01

Alumina-zirconia composite powders were produced by sol-gel autocombustion. 20 wt.% ZrO2-Al2O3 mixture precursor solutions were chelated by citric acid ions at different pH. DTA analysis shows sluggish decomposition at low pH, whereas there was rapid decomposition at high pH = 9. XRD patterns of the calcined powders showed that well crystallized powder with 100 % tetragonal phase and α-alumina phase is produced when pH = 0.58 (without ammonia addition). TEM characterization of composite powders revealed homogenous distribution of nanosized zirconia particles in the alumina matrix. FTIR analysis shows peaks at 590 cm-1 and 454 cm-1, which are identified as the characteristic absorption bands of Zr-O and Al-O.

Hydrous ZrO2 decorated polyaniline nanofibres: Synthesis, characterization and application as an efficient adsorbent for water defluoridation.

PubMed

Parashar, Kamya; Ballav, Niladri; Debnath, Sushanta; Pillay, Kriveshini; Maity, Arjun

2017-12-15

A new hybrid material comprising hydrous zirconium oxide (HZrO 2 ) supported onto polyaniline (PANI) nanofibres (HZrO 2 @PANI NFs) was prepared via the precipitation of HZrO 2 onto as-synthesized PANI NFs and tested for its defluoridation capabilities. The developed adsorbent (HZrO 2 @PANI NFs) was fully characterized by FTIR, BET, XRD, SEM-EDX, TEM-(S)TEM, XPS, and zeta potential measurements. HZrO 2 @PANI NFs achieved 2-fold BET surface area ∼86.64 m 2 /gas compared to PANI NFs ∼44.72 m 2 /g, implying that the incorporation of HZrO 2 onto the PANI nanofibres enhanced the available surface area for effective fluoride adsorption. Moreover, HZrO 2 @PANI NFs was found to be effective over a wide pH range (3-9) as designated by its high pH pzc ∼9.8. The adsorption kinetics obeyed the pseudo-second-order model well with equilibrium attainment in 30min. Adsorption isotherm was best described by the Langmuir model and the maximum adsorption capacities obtained were 83.23 and 28.77mg/g at pH 3 and 6.5, respectively, which is superior to most ZrO 2 based adsorbents reported in the literature and better than that of native PANI. Furthermore, the developed adsorbent manifested quite a selective fluoride uptake at pH 3 as compared to pH 6.5±0.1 wherein significant chemical affinity competition was presented by phosphate ions followed by bicarbonate and sulfate. The recyclability of HZrO 2 @PANI NFs for four cycles and its applicability to fluoride spiked ground water has also been demonstrated. The adsorption mechanism was interpreted with the help of FTIR, XPS and Zeta potential analysis and the results revealed the involvement of both anion exchange and electrostatic attraction in the adsorption of F - ions. Thus, a new efficient adsorbent with reasonably high adsorption capacity and superior pH tolerance has been developed for fluoride removal. Copyright © 2017 Elsevier Inc. All rights reserved.

Ru(II)-polypyridyl surface functionalised gold nanoparticles as DNA targeting supramolecular structures and luminescent cellular imaging agents.

PubMed

Martínez-Calvo, Miguel; Orange, Kim N; Elmes, Robert B P; la Cour Poulsen, Bjørn; Williams, D Clive; Gunnlaugsson, Thorfinnur

2016-01-07

The development of Ru(II) functionalized gold nanoparticles 1–3·AuNP is described. These systems were found to be mono-disperse with a hydrodynamic radius of ca. 15 nm in water but gave rise to the formation of higher order structures in buffered solution. The interaction of 1–3·AuNP with DNA was also studied by spectroscopic and microscopic methods and suggested the formation of large self-assembly structures in solution. The uptake of 1–3·AuNP by cancer cells was studied using both confocal fluorescence as well as transmission electron microscopy (TEM), with the aim of investigating their potential as tools for cellular biology. These systems displaying a non-toxic profile with favourable photophysical properties may have application across various biological fields including diagnostics and therapeutics.

Safety of intracameral injection of gatifloxacin, levofloxacin on corneal endothelial structure and viability.

PubMed

Choi, Jin A; Chung, Sung Kun

2009-10-01

To investigate the safety of intracameral injection of gatifloxacin, levofloxacin in a rabbit model as prophylaxis against endophthalmitis. Twenty-four eyes of New Zealand white rabbits were randomly divided into 3 treatment groups: levofloxacin, gatifloxacin, and balanced salt solution (BSS) control groups. After 100 microL of each was injected into the anterior chamber, endothelial toxicity was evaluated by measuring the central corneal thicknesses and the clinical toxicity scores using a slit-lamp at post-procedure days 3 and 7. The percent of dead cells was determined by vital staining with alizarin red and trypan blue at 7 days after injection. Finally, in each group, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were performed for the evaluation of structural integrity. The toxicity scores were increased at post-procedure days 3 and 7, but the difference among the groups was not statistically significant (P = 0.661, 0.216, respectively). With regard to baseline corneal thickness, only the levofloxacin group exhibited a significant increase from baseline (P = 0.028), whereas the other treatment groups showed no difference from baseline (P = 0.128 in gatifloxacin, 0.161 in BSS group). The mean corneal endothelial damage was 0.81 +/- 0.31% in the levofloxacin group, 0.56 +/- 0.47% in the gatifloxacin group, and 0.53 +/- 0.52% in the BSS group, with no statistically significant difference noted among the groups (P = 0.582). SEM revealed a well-preserved hexagonal endothelial cell mosaic and normal microvilli on the endothelial cell surface in the gatifloxacin and control groups. However, the levofloxacin group showed slightly disintegrated cellular borders. TEM revealed that each group maintained normal intracellular organization, whereas the levofloxacin group exhibited slightly flat cell configuration with irregular folds on the apical cell surface. Intracameral injection of gatifloxacin and levofloxacin was nontoxic in terms of clinical toxicity score, corneal thickness, and viability. However, there were changes on electron microscopy in the levofloxacin group, which may indicate microstructural damage to corneal endothelial cells.

Cryo-electron microscopy and cryo-electron tomography of nanoparticles.

PubMed

Stewart, Phoebe L

2017-03-01

Cryo-transmission electron microscopy (cryo-TEM or cryo-EM) and cryo-electron tomography (cryo-ET) offer robust and powerful ways to visualize nanoparticles. These techniques involve imaging of the sample in a frozen-hydrated state, allowing visualization of nanoparticles essentially as they exist in solution. Cryo-TEM grid preparation can be performed with the sample in aqueous solvents or in various organic and ionic solvents. Two-dimensional (2D) cryo-TEM provides a direct way to visualize the polydispersity within a nanoparticle preparation. Fourier transforms of cryo-TEM images can confirm the structural periodicity within a sample. While measurement of specimen parameters can be performed with 2D TEM images, determination of a three-dimensional (3D) structure often facilitates more spatially accurate quantization. 3D structures can be determined in one of two ways. If the nanoparticle has a homogeneous structure, then 2D projection images of different particles can be averaged using a computational process referred to as single particle reconstruction. Alternatively, if the nanoparticle has a heterogeneous structure, then a structure can be generated by cryo-ET. This involves collecting a tilt-series of 2D projection images for a defined region of the grid, which can be used to generate a 3D tomogram. Occasionally it is advantageous to calculate both a single particle reconstruction, to reveal the regular portions of a nanoparticle structure, and a cryo-electron tomogram, to reveal the irregular features. A sampling of 2D cryo-TEM images and 3D structures are presented for protein based, DNA based, lipid based, and polymer based nanoparticles. WIREs Nanomed Nanobiotechnol 2017, 9:e1417. doi: 10.1002/wnan.1417 For further resources related to this article, please visit the WIREs website. © 2016 Wiley Periodicals, Inc.

Prevalence of β-lactam (blaTEM) and Metronidazole (nim) Resistance Genes in the Oral Cavity of Greek Subjects

PubMed Central

Koukos, Georgios; Konstantinidis, Antonios; Tsalikis, Lazaros; Arsenakis, Minas; Slini, Theodora; Sakellari, Dimitra

2016-01-01

Objectives: The aim of this study is to investigate the prevalence of blaTEM and nim genes that encode resistance to β-lactams and nitroimidazoles, respectively, in the oral cavity of systemically healthy Greek subjects. Materials and Methodology: After screening 720 potentially eligible subjects, 154 subjects were recruited for the study, including 50 periodontally healthy patients, 52 cases of gingivitis and 52 cases of chronic periodontitis. The clinical parameters were assessed with an automated probe. Various samples were collected from the tongue, first molars and pockets >6mm, and analysed by polymerase chain reaction-amplification of the blaTEM and nim genes, using primers and conditions previously described in the literature. Results: There was a high rate of detection of blaTEM in plaque and tongue samples alike in all periodontal conditions (37% of plaque and 60% of tongue samples, and 71% of participants). The blaTEM gene was detected more frequently in the tongue samples of the periodontally healthy (56%) and chronic periodontitis (62%) groups compared to the plaque samples from the same groups (36% and 29%, respectively; z-test with Bonferroni corrections-tests, P<0.05). The nim gene was not detected in any of the 343 samples analysed. Conclusion: The oral cavity of Greek subjects often harbours blaTEM but not nim genes, and therefore the antimicrobial activity of β-lactams might be compromised. PMID:27099637

Effectiveness of UV-C light assisted by mild heat on Saccharomyces cerevisiae KE 162 inactivation in carrot-orange juice blend studied by flow cytometry and transmission electron microscopy.

PubMed

García Carrillo, Mercedes; Ferrario, Mariana; Guerrero, Sandra

2018-08-01

The aim of this study was to analyze the effectiveness of UV-C light (0-10.6 kJ/m 2 ) assisted by mild heat treatment (50 °C) on the inactivation of Saccharomyces cerevisiae KE 162 in peptone water and fresh carrot-orange juice blend (pH: 3.8; 9.8°Brix; 707 NTU; absorption coefficient: 0.17 cm -1 ). Yeast induced damage by single UV-C and mild heat (H) and the combined treatment UV-C/H, was investigated by flow cytometry (FC) and transmission electron microscopy (TEM). When studying induced damage by FC, cells were labeled with fluorescein diacetate (FDA) and propidium iodide (PI) to monitor membrane integrity and esterase activity. UV-C/H provoked up to 4.7 log-reductions of S. cerevisiae; whereas, only 2.6-3.3 log-reductions were achieved by single UV-C and H treatments. FC revealed a shift with treatment time from cells with esterase activity and intact membrane to cells with permeabilized membrane. This shift was more noticeable in peptone water and UV-C/H treated juice. In the UV-C treated juice, double stained cells were detected, suggesting the possibility of being sub-lethally damaged, with compromised membrane but still metabolically active. TEM images of treated cells revealed severe damage, encompassing coagulated inner content, disorganized lumen and cell debris. FC and TEM provided additional information regarding degree and type of damage, complementing information revealed by the traditional plate count technique. Copyright © 2018 Elsevier Ltd. All rights reserved.

2D Inversion of Transient Electromagnetic Method (TEM)

NASA Astrophysics Data System (ADS)

Bortolozo, Cassiano Antonio; Luís Porsani, Jorge; Acácio Monteiro dos Santos, Fernando

2017-04-01

A new methodology was developed for 2D inversion of Transient Electromagnetic Method (TEM). The methodology consists in the elaboration of a set of routines in Matlab code for modeling and inversion of TEM data and the determination of the most efficient field array for the problem. In this research, the 2D TEM modeling uses the finite differences discretization. To solve the inversion problem, were applied an algorithm based on Marquardt technique, also known as Ridge Regression. The algorithm is stable and efficient and it is widely used in geoelectrical inversion problems. The main advantage of 1D survey is the rapid data acquisition in a large area, but in regions with two-dimensional structures or that need more details, is essential to use two-dimensional interpretation methodologies. For an efficient field acquisition we used in an innovative form the fixed-loop array, with a square transmitter loop (200m x 200m) and 25m spacing between the sounding points. The TEM surveys were conducted only inside the transmitter loop, in order to not deal with negative apparent resistivity values. Although it is possible to model the negative values, it makes the inversion convergence more difficult. Therefore the methodology described above has been developed in order to achieve maximum optimization of data acquisition. Since it is necessary only one transmitter loop disposition in the surface for each series of soundings inside the loop. The algorithms were tested with synthetic data and the results were essential to the interpretation of the results with real data and will be useful in future situations. With the inversion of the real data acquired over the Paraná Sedimentary Basin (PSB) was successful realized a 2D TEM inversion. The results indicate a robust geoelectrical characterization for the sedimentary and crystalline aquifers in the PSB. Therefore, using a new and relevant approach for 2D TEM inversion, this research effectively contributed to map the most promising regions for groundwater exploration. In addition, there was the development of new geophysical software that can be applied as an important tool for many geological/hydrogeological applications and educational purposes.

Inducing fluorescence of uranyl acetate as a dual-purpose contrast agent for correlative light-electron microscopy with nanometre precision.

PubMed

Tuijtel, Maarten W; Mulder, Aat A; Posthuma, Clara C; van der Hoeven, Barbara; Koster, Abraham J; Bárcena, Montserrat; Faas, Frank G A; Sharp, Thomas H

2017-09-05

Correlative light-electron microscopy (CLEM) combines the high spatial resolution of transmission electron microscopy (TEM) with the capability of fluorescence light microscopy (FLM) to locate rare or transient cellular events within a large field of view. CLEM is therefore a powerful technique to study cellular processes. Aligning images derived from both imaging modalities is a prerequisite to correlate the two microscopy data sets, and poor alignment can limit interpretability of the data. Here, we describe how uranyl acetate, a commonly-used contrast agent for TEM, can be induced to fluoresce brightly at cryogenic temperatures (-195 °C) and imaged by cryoFLM using standard filter sets. This dual-purpose contrast agent can be used as a general tool for CLEM, whereby the equivalent staining allows direct correlation between fluorescence and TEM images. We demonstrate the potential of this approach by performing multi-colour CLEM of cells containing equine arteritis virus proteins tagged with either green- or red-fluorescent protein, and achieve high-precision localization of virus-induced intracellular membrane modifications. Using uranyl acetate as a dual-purpose contrast agent, we achieve an image alignment precision of ~30 nm, twice as accurate as when using fiducial beads, which will be essential for combining TEM with the evolving field of super-resolution light microscopy.

An evaluation of the performance of a WRF multi-physics ensemble for heatwave events over the city of Melbourne in southeast Australia

NASA Astrophysics Data System (ADS)

Imran, H. M.; Kala, J.; Ng, A. W. M.; Muthukumaran, S.

2018-04-01

Appropriate choice of physics options among many physics parameterizations is important when using the Weather Research and Forecasting (WRF) model. The responses of different physics parameterizations of the WRF model may vary due to geographical locations, the application of interest, and the temporal and spatial scales being investigated. Several studies have evaluated the performance of the WRF model in simulating the mean climate and extreme rainfall events for various regions in Australia. However, no study has explicitly evaluated the sensitivity of the WRF model in simulating heatwaves. Therefore, this study evaluates the performance of a WRF multi-physics ensemble that comprises 27 model configurations for a series of heatwave events in Melbourne, Australia. Unlike most previous studies, we not only evaluate temperature, but also wind speed and relative humidity, which are key factors influencing heatwave dynamics. No specific ensemble member for all events explicitly showed the best performance, for all the variables, considering all evaluation metrics. This study also found that the choice of planetary boundary layer (PBL) scheme had largest influence, the radiation scheme had moderate influence, and the microphysics scheme had the least influence on temperature simulations. The PBL and microphysics schemes were found to be more sensitive than the radiation scheme for wind speed and relative humidity. Additionally, the study tested the role of Urban Canopy Model (UCM) and three Land Surface Models (LSMs). Although the UCM did not play significant role, the Noah-LSM showed better performance than the CLM4 and NOAH-MP LSMs in simulating the heatwave events. The study finally identifies an optimal configuration of WRF that will be a useful modelling tool for further investigations of heatwaves in Melbourne. Although our results are invariably region-specific, our results will be useful to WRF users investigating heatwave dynamics elsewhere.