DFT calculation and vibrational spectroscopic studies of 2-(tert-butoxycarbonyl (Boc) -amino)-5-bromopyridine

NASA Astrophysics Data System (ADS)

Premkumar, S.; Jawahar, A.; Mathavan, T.; Kumara Dhas, M.; Sathe, V. G.; Milton Franklin Benial, A.

2014-08-01

The molecular structure of 2-(tert-butoxycarbonyl (Boc) -amino)-5-bromopyridine (BABP) was optimized by the DFT/B3LYP method with 6-311G (d,p), 6-311++G (d,p) and cc-pVTZ basis sets using the Gaussian 09 program. The most stable optimized structure of the molecule was predicted by the DFT/B3LYP method with cc-pVTZ basis set. The vibrational frequencies, Mulliken atomic charge distribution, frontier molecular orbitals and thermodynamical parameters were calculated. These calculations were done at the ground state energy level of BABP without applying any constraint on the potential energy surface. The vibrational spectra were experimentally recorded using Fourier Transform-Infrared (FT-IR) and micro-Raman spectrometer. The computed vibrational frequencies were scaled by scale factors to yield a good agreement with observed experimental vibrational frequencies. The complete theoretically calculated and experimentally observed vibrational frequencies were assigned on the basis of Potential Energy Distribution (PED) calculation using the VEDA 4.0 program. The vibrational modes assignments were performed by using the animation option of GaussView 05 graphical interface for Gaussian program. The Mulliken atomic charge distribution was calculated for BABP molecule. The molecular reactivity and stability of BABP were also studied by frontier molecular orbitals (FMOs) analysis.

Brain-computer interface on the basis of EEG system Encephalan

NASA Astrophysics Data System (ADS)

Maksimenko, Vladimir; Badarin, Artem; Nedaivozov, Vladimir; Kirsanov, Daniil; Hramov, Alexander

2018-04-01

We have proposed brain-computer interface (BCI) for the estimation of the brain response on the presented visual tasks. Proposed BCI is based on the EEG recorder Encephalan-EEGR-19/26 (Medicom MTD, Russia) supplemented by a special home-made developed acquisition software. BCI is tested during experimental session while subject is perceiving the bistable visual stimuli and classifying them according to the interpretation. We have subjected the participant to the different external conditions and observed the significant decrease in the response, associated with the perceiving the bistable visual stimuli, during the presence of distraction. Based on the obtained results we have proposed possibility to use of BCI for estimation of the human alertness during solving the tasks required substantial visual attention.

Quantification of the Mass Transfer at Fluid Interfaces in Microfluidic Channels

NASA Astrophysics Data System (ADS)

Wismeth, Carina; Manhart, Michael; Niessner, Reinhard; Baumann, Thomas

2017-04-01

Mass transfer rates at interfaces in a complex porous media are relevant in many environmental applications and control the functions of natural filter systems in subsurface environments. The mass transfer at fluid interfaces is associated with interface convection caused by local inhomogeneities in interface tension and hydrodynamic instabilities at the interface. If there is a surface tension gradient along the surface a shear stress jump is generated that results in fluid motion along the surface that is called Marangoni effect. These spontaneous convection currents can lead to an increased mass transfer of the transition component at the phase boundary and to an increased mixing of the phases. Therefore compensatory currents at the interface can have a significant influence on the subsurface transport of contaminants in the groundwater area, especially in the vadose zone. Using microfluidic channels and advanced experimental techniques it is possible to measure the fluid flow and mass transfer rates directly and to quantify the effect of the Marangoni convection on the mass transfer at interfaces between a non-aqueous liquid and water with high temporal and spatial resolution. The use of fluorescent particles as well as the recording and analysis of their trajectories is intended to visualize interfacial processes and to quantify the mass transfer at fluid phase boundaries. Concentration gradients at the interface are analysed by spectroscopic methods and allow an assessment of the enrichment and depletion at the phase boundaries. Extensive test series provide the experimental basis for quantifying and analysing the impact of the Marangoni effect on the mass transfer rates at interfaces in porous media in subsurface aquatic environments. Within this research project we concentrate on the effect of Marangoni convection on the mass transfer near an 1-octanol-water interface, which serves as a well defined proxy for non-aqueous phase liquids in porous media. Experiments and a numerical simulation are closely coupled to provide a generic data set with high reproducibility and used to obtain highly resolved three-dimensional data of mass transfer in two- and three-phase systems to foster the understanding of subsurface transport, especially in the vadose zone.

The Observation of the Structure of M23C6/ γ Coherent Interface in the 100Mn13 High Carbon High Manganese Steel

NASA Astrophysics Data System (ADS)

Xu, Zhenfeng; Ding, Zhimin; Liang, Bo

2018-03-01

The M23C6 carbides precipitate along the austenite grain boundary in the 100Mn13 high carbon high manganese steel after 1323 K (1050 °C) solution treatment and subsequent 748 K (475 °C) aging treatment. The grain boundary M23C6 carbides not only spread along the grain boundary and into the incoherent austenite grain, but also grow slowly into the coherent austenite grain. On the basis of the research with optical microscope, a further investigation for the M23C6/ γ coherent interface was carried out by transmission electron microscope (TEM). The results show that the grain boundary M23C6 carbides have orientation relationships with only one of the adjacent austenite grains in the same planes: (\\bar{1}1\\bar{1})_{{{M}_{ 2 3} {C}_{ 6} }} //(\\bar{1}1\\bar{1})_{γ } , (\\bar{1}11)_{{{M}_{ 2 3} {C}_{ 6} }} //(\\bar{1}11)_{γ } ,[ 1 10]_{{{M}_{ 2 3} {C}_{ 6} }} //[ 1 10]_{γ } . The flat M23C6/ γ coherent interface lies on the low indexed crystal planes {111}. Moreover, in M23C6/ γ coherent interface, there are embossments which stretch into the coherent austenite grain γ. Dislocations distribute in the embossments and coherent interface frontier. According to the experimental observation, the paper suggests that the embossments can promote the M23C6/ γ coherent interface move. Besides, the present work has analyzed chemical composition of experimental material and the crystal structures of austenite and M23C6, which indicates that the transformation can be completed through a little diffusion for C atoms and a simple variant for austenite unit cell.

Study of Dose Perturbation at Bone-Tissue Interfaces in Megavoltage Photon Beam Therapy.

NASA Astrophysics Data System (ADS)

Das, Indra Jeet

Dose perturbations during photon beam irradiation occur at interfaces between two dissimilar media due to the loss of electronic equilibrium. The human body contains many different types of interfaces between soft tissue and other media such as, air cavities, lungs, bones, and high atomic number (Z) materials. The dose to critical organs in the vicinity of high Z interfaces, is what leads to this project. This work describes the dose perturbation at high Z (from bone to lead) interfaces with soft tissue for clinically used megavoltage photon beams in the range of CO-60 gamma rays to 24 MV X-rays. It is divided into three main sections: (1) the dose outside the inhomogeneity in the direction of backscatter, (2) the dose inside the inhomogeneity, and (3) the dose on the photon transmission side of the inhomogeneity. Using different types of parallel plate ion chambers, TLD (powder and chip), and film as dosimeters, the dose perturbation is studied as a function of photon energy, thickness, width, and depth of inhomogeneity, distance from the interface and radiation field size. The concept of Bragg-Gray cavity theory is applied and verified for dose determination inside the inhomogeneity. A significant dose enhancement has been observed on the backscatter side for all photon energies. It is strongly dependent on the atomic number of the inhomogeneity and less dependent on the photon energy, thickness, depth, width, and field size. In the forward direction, a dose reduction occurs at the interface at beam energies lower than 10 MV, whereas a dose enhancement occurs for higher photon energies. The interface effect persists up to a few millimeters on the backscatter side but a distance equivalent to the secondary electron range for the particular photon beams in the forward direction. The dose perturbation is explained on the basis of production and transport of secondary electrons. Empirical functions are derived from the experimental data to predict the dose distribution in the vicinity of an inhomogeneity. These equations could form the basis of a treatment planning system that would accurately represent the dose both at the interface and surrounding tissue.

Effect of drop size on the impact thermodynamics for supercooled large droplet in aircraft icing

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

Zhang, Chen; Liu, Hong, E-mail: hongliu@sjtu.edu.cn

Supercooled large droplet (SLD), which can cause abnormal icing, is a well-known issue in aerospace engineering. Although efforts have been exerted to understand large droplet impact dynamics and the supercooled feature in the film/substrate interface, respectively, the thermodynamic effect during the SLD impact process has not received sufficient attention. This work conducts experimental studies to determine the effects of drop size on the thermodynamics for supercooled large droplet impingement. Through phenomenological reproduction, the rapid-freezing characteristics are observed in diameters of 400, 800, and 1300 μm. The experimental analysis provides information on the maximum spreading rate and the shrinkage rate ofmore » the drop, the supercooled diffusive rate, and the freezing time. A physical explanation of this unsteady heat transfer process is proposed theoretically, which indicates that the drop size is a critical factor influencing the supercooled heat exchange and effective heat transfer duration between the film/substrate interface. On the basis of the present experimental data and theoretical analysis, an impinging heating model is developed and applied to typical SLD cases. The model behaves as anticipated, which underlines the wide applicability to SLD icing problems in related fields.« less

Comprehensive inventory of protein complexes in the Protein Data Bank from consistent classification of interfaces

DOE PAGES

Bordner, Andrew J.; Gorin, Andrey A.

2008-05-12

Here, protein-protein interactions are ubiquitous and essential for cellular processes. High-resolution X-ray crystallographic structures of protein complexes can elucidate the details of their function and provide a basis for many computational and experimental approaches. Here we demonstrate that existing annotations of protein complexes, including those provided by the Protein Data Bank (PDB) itself, contain a significant fraction of incorrect annotations. Results: We have developed a method for identifying protein complexes in the PDB X-ray structures by a four step procedure: (1) comprehensively collecting all protein-protein interfaces; (2) clustering similar protein-protein interfaces together; (3) estimating the probability that each cluster ismore » relevant based on a diverse set of properties; and (4) finally combining these scores for each entry in order to predict the complex structure. Unlike previous annotation methods, consistent prediction of complexes with identical or almost identical protein content is insured. The resulting clusters of biologically relevant interfaces provide a reliable catalog of evolutionary conserved protein-protein interactions.« less

Features of electronic and lattice mechanisms of transboundary heat transfer in multilayer nanolaminate TiAlN/Ag coatings.

PubMed

Kovalev, A I; Wainstein, D L; Vakhrushev, V O; Gago, R; Soldera, F; Endrino, J L; Fox-Rabinovich, G S; Veldhuis, S

2017-12-06

Plasmon resonance heterogeneities were identified and studied along Ag and TiAlN layers within a multilayer stack in nanolaminate TiAlN/Ag coatings. For this purpose, a high-resolution plasmon microscopy was used. The plasmons intensity, energy, and depth of interface plasmon-polariton penetration were studied by scanning reflected electron energy loss spectroscopy. The heat conductivity of such metal-insulator-metal (MIM) nanolaminate coatings was measured by laser reflectometry. Dependencies of thermal conductivity coefficient of coatings, MIM interfaces, and resistivity of Ag layers as a function of the Ag-TiAlN bilayer thickness were calculated on the basis of experimental data. The contribution of plasmon resonance confinement to the abnormal lower thermal conductivity in the MIM metamaterial with Ag layer thickness below 25 nm is discussed. In particular, the results highlight the relevant role of different heat transfer mechanisms between MI and IM interfaces: asymmetry of plasmon-polariton interactions on upper and lower boundaries of Ag layer and asymmetry of LA and TA phonons propagation through interfaces.

Implementation of an experimental fault-tolerant memory system

NASA Technical Reports Server (NTRS)

Carter, W. C.; Mccarthy, C. E.

1976-01-01

The experimental fault-tolerant memory system described in this paper has been designed to enable the modular addition of spares, to validate the theoretical fault-secure and self-testing properties of the translator/corrector, to provide a basis for experiments using the new testing and correction processes for recovery, and to determine the practicality of such systems. The hardware design and implementation are described, together with methods of fault insertion. The hardware/software interface, including a restricted single error correction/double error detection (SEC/DED) code, is specified. Procedures are carefully described which, (1) test for specified physical faults, (2) ensure that single error corrections are not miscorrections due to triple faults, and (3) enable recovery from double errors.

Mechanics of wheel-soil interaction

NASA Technical Reports Server (NTRS)

Houland, H. J.

1973-01-01

An approximate theory for wheel-soil interaction is presented which forms the basis for a practical solution to the problem. It is shown that two fundamental observations render the problem determinate: (1) The line of action of the resultant of radial stresses acting at the wheel soil interface approximately bisects the wheel-soil contact angle for all values of slip. (2) A shear stress surface can be hypothesized. The influence of soil inertia forces is also evaluated. A concept of equivalent cohesion is introduced which allows a convenient experimental comparison for both cohesive and frictional soils. This theory compares favorably with previous analyses and experimental data, and shows that soil inertia forces influencing the motion of a rolling wheel can be significant.

DFT calculation and vibrational spectroscopic studies of 2-(tert-butoxycarbonyl (Boc) -amino)-5-bromopyridine.

PubMed

Premkumar, S; Jawahar, A; Mathavan, T; Kumara Dhas, M; Sathe, V G; Milton Franklin Benial, A

2014-08-14

The molecular structure of 2-(tert-butoxycarbonyl (Boc) -amino)-5-bromopyridine (BABP) was optimized by the DFT/B3LYP method with 6-311G (d,p), 6-311++G (d,p) and cc-pVTZ basis sets using the Gaussian 09 program. The most stable optimized structure of the molecule was predicted by the DFT/B3LYP method with cc-pVTZ basis set. The vibrational frequencies, Mulliken atomic charge distribution, frontier molecular orbitals and thermodynamical parameters were calculated. These calculations were done at the ground state energy level of BABP without applying any constraint on the potential energy surface. The vibrational spectra were experimentally recorded using Fourier Transform-Infrared (FT-IR) and micro-Raman spectrometer. The computed vibrational frequencies were scaled by scale factors to yield a good agreement with observed experimental vibrational frequencies. The complete theoretically calculated and experimentally observed vibrational frequencies were assigned on the basis of Potential Energy Distribution (PED) calculation using the VEDA 4.0 program. The vibrational modes assignments were performed by using the animation option of GaussView 05 graphical interface for Gaussian program. The Mulliken atomic charge distribution was calculated for BABP molecule. The molecular reactivity and stability of BABP were also studied by frontier molecular orbitals (FMOs) analysis. Copyright © 2014 Elsevier B.V. All rights reserved.

Unraveling the electrolyte properties of Na3SbS4 through computation and experiment

NASA Astrophysics Data System (ADS)

Rush, Larry E.; Hood, Zachary D.; Holzwarth, N. A. W.

2017-12-01

Solid-state sodium electrolytes are expected to improve next-generation batteries on the basis of favorable energy density and reduced cost. Na3SbS4 represents a new solid-state ion conductor with high ionic conductivities in the mS/cm range. Here, we explore the tetragonal phase of Na3SbS4 and its interface with metallic sodium anode using a combination of experiments and first-principles calculations. The computed Na-ion vacancy migration energies of 0.1 eV are smaller than the value inferred from experiment, suggesting that grain boundaries or other factors dominate the experimental systems. Analysis of symmetric cells of the electrolyte—Na/Na 3SbS4/Na —show that a conductive solid electrolyte interphase forms. Computer simulations infer that the interface is likely to be related to Na3SbS3 , involving the conversion of the tetrahedral SbS43 - ions of the bulk electrolyte into trigonal pyramidal SbS33 - ions at the interface.

Comprehensive inventory of protein complexes in the Protein Data Bank from consistent classification of interfaces.

PubMed

Bordner, Andrew J; Gorin, Andrey A

2008-05-12

Protein-protein interactions are ubiquitous and essential for all cellular processes. High-resolution X-ray crystallographic structures of protein complexes can reveal the details of their function and provide a basis for many computational and experimental approaches. Differentiation between biological and non-biological contacts and reconstruction of the intact complex is a challenging computational problem. A successful solution can provide additional insights into the fundamental principles of biological recognition and reduce errors in many algorithms and databases utilizing interaction information extracted from the Protein Data Bank (PDB). We have developed a method for identifying protein complexes in the PDB X-ray structures by a four step procedure: (1) comprehensively collecting all protein-protein interfaces; (2) clustering similar protein-protein interfaces together; (3) estimating the probability that each cluster is relevant based on a diverse set of properties; and (4) combining these scores for each PDB entry in order to predict the complex structure. The resulting clusters of biologically relevant interfaces provide a reliable catalog of evolutionary conserved protein-protein interactions. These interfaces, as well as the predicted protein complexes, are available from the Protein Interface Server (PInS) website (see Availability and requirements section). Our method demonstrates an almost two-fold reduction of the annotation error rate as evaluated on a large benchmark set of complexes validated from the literature. We also estimate relative contributions of each interface property to the accurate discrimination of biologically relevant interfaces and discuss possible directions for further improving the prediction method.

Atomic and electronic structure of doped Si (111 ) (2 √{3 }×2 √{3 }) R 30∘ -Sn interfaces

NASA Astrophysics Data System (ADS)

Yi, Seho; Ming, Fangfei; Huang, Ying-Tzu; Smith, Tyler S.; Peng, Xiyou; Tu, Weisong; Mulugeta, Daniel; Diehl, Renee D.; Snijders, Paul C.; Cho, Jun-Hyung; Weitering, Hanno H.

2018-05-01

The hole-doped Si (111 ) (2 √ 3 ×2 √ 3 ) R 30∘ -Sn interface exhibits a symmetry-breaking insulator-insulator transition below 100 K that appears to be triggered by electron tunneling into the empty surface-state bands. No such transition is seen in electron-doped systems. To elucidate the nature and driving force of this phenomenon, the structure of the interface must be resolved. Here we report on an extensive experimental and theoretical study, including scanning tunneling microscopy and spectroscopy (STM/STS), dynamical low-energy electron diffraction (LEED) analysis, and density functional theory (DFT) calculations, to elucidate the structure of this interface. We consider six different structure models, three of which have been proposed before, and conclude that only two of them can account for the majority of experimental data. One of them is the model according to Törnevik et al. [C. Törnevik et al., Phys. Rev. B 44, 13144 (1991), 10.1103/PhysRevB.44.13144] with a total Sn coverage of 14/12 monolayers (ML). The other is the "revised trimer model" with a total Sn coverage of 13/12 ML, introduced in this work. These two models are very difficult to discriminate on the basis of DFT or LEED alone, but STS data clearly point toward the Törnevik model as the most viable candidate among the models considered here. The STS data also provide additional insights regarding the electron-injection-driven phase transformation. Similar processes may occur at other metal/semiconductor interfaces, provided they are nonmetallic and can be doped. This could open up a new pathway toward the creation of novel surface phases with potentially very interesting and desirable electronic properties.

Tailored Rh surface facilitates, enhancement of Raman scattering in trimetallic AuPt core/Rh shell composites: Experimental and theoretical evidences

NASA Astrophysics Data System (ADS)

Loganathan, B.; Chandraboss, V. L.; Senthilvelan, S.; Karthikeyan, B.

2016-01-01

We present a detailed analysis of surface-enhanced Raman scattering of 7-azaindole and L-cysteine adsorbed on a tailored Rh surface by using experimental and density functional theoretical (DFT) calculations. DFT with the B3LYP/Lanl2DZ basis set was used for the optimization of the ground state geometries and simulation of the surface-enhanced Raman spectrum of probe molecules adsorbed on Rh6 cluster. 7-azaindole and L-cysteine adsorption at the shell interface was ascertained from first-principles. In addition, characterization of synthesized trimetallic AuPt core/Rh shell colloidal nanocomposites has been analyzed by UV-visible spectroscopy, high-resolution transmission and scanning electron microscopy, selected area electron diffraction pattern analysis, energy-dispersive X-ray spectroscopy, atomic force, confocal Raman microscopy, FT-Raman and surface-enhanced Raman spectroscopic analysis. This analysis serves as the first step in gaining an accurate understanding of specific interactions at the interface of organic and biomolecules and to gain knowledge on the surface composition of trimetallic Au/Pt/Rh colloidal nanocomposites.

Simple adaptive sparse representation based classification schemes for EEG based brain-computer interface applications.

PubMed

Shin, Younghak; Lee, Seungchan; Ahn, Minkyu; Cho, Hohyun; Jun, Sung Chan; Lee, Heung-No

2015-11-01

One of the main problems related to electroencephalogram (EEG) based brain-computer interface (BCI) systems is the non-stationarity of the underlying EEG signals. This results in the deterioration of the classification performance during experimental sessions. Therefore, adaptive classification techniques are required for EEG based BCI applications. In this paper, we propose simple adaptive sparse representation based classification (SRC) schemes. Supervised and unsupervised dictionary update techniques for new test data and a dictionary modification method by using the incoherence measure of the training data are investigated. The proposed methods are very simple and additional computation for the re-training of the classifier is not needed. The proposed adaptive SRC schemes are evaluated using two BCI experimental datasets. The proposed methods are assessed by comparing classification results with the conventional SRC and other adaptive classification methods. On the basis of the results, we find that the proposed adaptive schemes show relatively improved classification accuracy as compared to conventional methods without requiring additional computation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Urban search mobile platform modeling in hindered access conditions

NASA Astrophysics Data System (ADS)

Barankova, I. I.; Mikhailova, U. V.; Kalugina, O. B.; Barankov, V. V.

2018-05-01

The article explores the control system simulation and the design of the experimental model of the rescue robot mobile platform. The functional interface, a structural functional diagram of the mobile platform control unit, and a functional control scheme for the mobile platform of secure robot were modeled. The task of design a mobile platform for urban searching in hindered access conditions is realized through the use of a mechanical basis with a chassis and crawler drive, a warning device, human heat sensors and a microcontroller based on Arduino platforms.

Amplification of the electroosmotic velocity by induced charges at fluidic interfaces

NASA Astrophysics Data System (ADS)

Steffes, Clarissa; Baier, Tobias; Hardt, Steffen

2010-11-01

The performance of microfluidic devices like electroosmotic pumps is strongly limited by drag forces at the channel walls. In order to replace the standard no-slip condition at the wall with a more favorable slip condition, superhydrophobic surfaces are employed. In the Cassie-Baxter state, air is entrapped in the surface cavities, so that a significant fraction of water-air interfaces at which slip does occur is provided. However, such surfaces do not enhance electroosmotic flow. Since no net charge accumulates at the water-air interfaces, the driving force is reduced, and no flow enhancement is obtained. We consider electrodes incorporated in the superhydrophobic structure to induce charges at these interfaces, thereby increasing the driving force. A theoretical model is set up, yielding an understanding of the influence of the surface morphology on the flow, which serves as a basis for ongoing experimental work. While a considerable enhancement of the electroosmotic velocity is already expected for standard superhydrophobic surfaces, greater amplifications of one order of magnitude may be achieved by substituting the air in the surface cavities by oil, reducing the risk for electric breakdown or transition to the unfavorable Wenzel state.

Manipulating Ferroelectrics through Changes in Surface and Interface Properties

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

Balke, Nina; Ramesh, Ramamoorthy; Yu, Pu

Ferroelectric materials are used in many applications of modern technologies including information storage, transducers, sensors, tunable capacitors, and other novel device concepts. In many of these applications, the ferroelectric properties, such as switching voltages, piezoelectric constants, or stability of nanodomains, are crucial. For any application, even for material characterization, the material itself needs to be interfaced with electrodes. On the basis of the structural, chemical, and electronic properties of the interfaces, the measured material properties can be determined by the interface. This is also true for surfaces. However, the importance of interfaces and surfaces and their effect on experiments aremore » often neglected, which results in many dramatically different experimental results for nominally identical samples. Therefore, it is crucial to understand the role of the interface and surface properties on internal bias fields and the domain switching process. Here, the nanoscale ferroelectric switching process and the stability of nanodomains for Pb(Zr,Ti)O 3 thin films are investigated by using scanning probe microscopy. Interface and surface properties are modulated through the selection/redesign of electrode materials as well as tuning the surface-near oxygen vacancies, which both can result in changes of the electric fields acting across the sample, and consequently this controls the measured ferroelectric and domain retention properties. By understanding the role of surfaces and interfaces, ferroelectric properties can be tuned to eliminate the problem of asymmetric domain stability by combining the effects of different electrode materials. Lastly, this study forms an important step toward integrating ferroelectric materials in electronic devices.« less

Manipulating Ferroelectrics through Changes in Surface and Interface Properties

DOE PAGES

Balke, Nina; Ramesh, Ramamoorthy; Yu, Pu

2017-10-23

Ferroelectric materials are used in many applications of modern technologies including information storage, transducers, sensors, tunable capacitors, and other novel device concepts. In many of these applications, the ferroelectric properties, such as switching voltages, piezoelectric constants, or stability of nanodomains, are crucial. For any application, even for material characterization, the material itself needs to be interfaced with electrodes. On the basis of the structural, chemical, and electronic properties of the interfaces, the measured material properties can be determined by the interface. This is also true for surfaces. However, the importance of interfaces and surfaces and their effect on experiments aremore » often neglected, which results in many dramatically different experimental results for nominally identical samples. Therefore, it is crucial to understand the role of the interface and surface properties on internal bias fields and the domain switching process. Here, the nanoscale ferroelectric switching process and the stability of nanodomains for Pb(Zr,Ti)O 3 thin films are investigated by using scanning probe microscopy. Interface and surface properties are modulated through the selection/redesign of electrode materials as well as tuning the surface-near oxygen vacancies, which both can result in changes of the electric fields acting across the sample, and consequently this controls the measured ferroelectric and domain retention properties. By understanding the role of surfaces and interfaces, ferroelectric properties can be tuned to eliminate the problem of asymmetric domain stability by combining the effects of different electrode materials. Lastly, this study forms an important step toward integrating ferroelectric materials in electronic devices.« less

Coloc-stats: a unified web interface to perform colocalization analysis of genomic features.

PubMed

Simovski, Boris; Kanduri, Chakravarthi; Gundersen, Sveinung; Titov, Dmytro; Domanska, Diana; Bock, Christoph; Bossini-Castillo, Lara; Chikina, Maria; Favorov, Alexander; Layer, Ryan M; Mironov, Andrey A; Quinlan, Aaron R; Sheffield, Nathan C; Trynka, Gosia; Sandve, Geir K

2018-06-05

Functional genomics assays produce sets of genomic regions as one of their main outputs. To biologically interpret such region-sets, researchers often use colocalization analysis, where the statistical significance of colocalization (overlap, spatial proximity) between two or more region-sets is tested. Existing colocalization analysis tools vary in the statistical methodology and analysis approaches, thus potentially providing different conclusions for the same research question. As the findings of colocalization analysis are often the basis for follow-up experiments, it is helpful to use several tools in parallel and to compare the results. We developed the Coloc-stats web service to facilitate such analyses. Coloc-stats provides a unified interface to perform colocalization analysis across various analytical methods and method-specific options (e.g. colocalization measures, resolution, null models). Coloc-stats helps the user to find a method that supports their experimental requirements and allows for a straightforward comparison across methods. Coloc-stats is implemented as a web server with a graphical user interface that assists users with configuring their colocalization analyses. Coloc-stats is freely available at https://hyperbrowser.uio.no/coloc-stats/.

Predictive Surface Complexation Modeling

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

Sverjensky, Dimitri A.

Surface complexation plays an important role in the equilibria and kinetics of processes controlling the compositions of soilwaters and groundwaters, the fate of contaminants in groundwaters, and the subsurface storage of CO 2 and nuclear waste. Over the last several decades, many dozens of individual experimental studies have addressed aspects of surface complexation that have contributed to an increased understanding of its role in natural systems. However, there has been no previous attempt to develop a model of surface complexation that can be used to link all the experimental studies in order to place them on a predictive basis. Overall,more » my research has successfully integrated the results of the work of many experimentalists published over several decades. For the first time in studies of the geochemistry of the mineral-water interface, a practical predictive capability for modeling has become available. The predictive correlations developed in my research now enable extrapolations of experimental studies to provide estimates of surface chemistry for systems not yet studied experimentally and for natural and anthropogenically perturbed systems.« less

A Reconfigurable Readout Integrated Circuit for Heterogeneous Display-Based Multi-Sensor Systems

PubMed Central

Park, Kyeonghwan; Kim, Seung Mok; Eom, Won-Jin; Kim, Jae Joon

2017-01-01

This paper presents a reconfigurable multi-sensor interface and its readout integrated circuit (ROIC) for display-based multi-sensor systems, which builds up multi-sensor functions by utilizing touch screen panels. In addition to inherent touch detection, physiological and environmental sensor interfaces are incorporated. The reconfigurable feature is effectively implemented by proposing two basis readout topologies of amplifier-based and oscillator-based circuits. For noise-immune design against various noises from inherent human-touch operations, an alternate-sampling error-correction scheme is proposed and integrated inside the ROIC, achieving a 12-bit resolution of successive approximation register (SAR) of analog-to-digital conversion without additional calibrations. A ROIC prototype that includes the whole proposed functions and data converters was fabricated in a 0.18 μm complementary metal oxide semiconductor (CMOS) process, and its feasibility was experimentally verified to support multiple heterogeneous sensing functions of touch, electrocardiogram, body impedance, and environmental sensors. PMID:28368355

A Reconfigurable Readout Integrated Circuit for Heterogeneous Display-Based Multi-Sensor Systems.

PubMed

Park, Kyeonghwan; Kim, Seung Mok; Eom, Won-Jin; Kim, Jae Joon

2017-04-03

This paper presents a reconfigurable multi-sensor interface and its readout integrated circuit (ROIC) for display-based multi-sensor systems, which builds up multi-sensor functions by utilizing touch screen panels. In addition to inherent touch detection, physiological and environmental sensor interfaces are incorporated. The reconfigurable feature is effectively implemented by proposing two basis readout topologies of amplifier-based and oscillator-based circuits. For noise-immune design against various noises from inherent human-touch operations, an alternate-sampling error-correction scheme is proposed and integrated inside the ROIC, achieving a 12-bit resolution of successive approximation register (SAR) of analog-to-digital conversion without additional calibrations. A ROIC prototype that includes the whole proposed functions and data converters was fabricated in a 0.18 μm complementary metal oxide semiconductor (CMOS) process, and its feasibility was experimentally verified to support multiple heterogeneous sensing functions of touch, electrocardiogram, body impedance, and environmental sensors.

fMRI Brain-Computer Interface: A Tool for Neuroscientific Research and Treatment

PubMed Central

Sitaram, Ranganatha; Caria, Andrea; Veit, Ralf; Gaber, Tilman; Rota, Giuseppina; Kuebler, Andrea; Birbaumer, Niels

2007-01-01

Brain-computer interfaces based on functional magnetic resonance imaging (fMRI-BCI) allow volitional control of anatomically specific regions of the brain. Technological advancement in higher field MRI scanners, fast data acquisition sequences, preprocessing algorithms, and robust statistical analysis are anticipated to make fMRI-BCI more widely available and applicable. This noninvasive technique could potentially complement the traditional neuroscientific experimental methods by varying the activity of the neural substrates of a region of interest as an independent variable to study its effects on behavior. If the neurobiological basis of a disorder (e.g., chronic pain, motor diseases, psychopathy, social phobia, depression) is known in terms of abnormal activity in certain regions of the brain, fMRI-BCI can be targeted to modify activity in those regions with high specificity for treatment. In this paper, we review recent results of the application of fMRI-BCI to neuroscientific research and psychophysiological treatment. PMID:18274615

Effect of buoyancy on appearance and characteristics of surface tension repeated auto-oscillations.

PubMed

Kovalchuk, N M; Vollhardt, D

2005-08-11

The effect of buoyancy on spontaneous repeated nonlinear oscillations of surface tension, which appear at the free liquid interface by dissolution of a surfactant droplet under the interface, is considered on the basis of direct numerical simulation of the model system behavior. The oscillations are the result of periodically rising and fading Marangoni instability. The buoyancy force per se cannot lead to the oscillatory behavior in the considered system, but it influences strongly both the onset and decay of the instability and therefore, affects appearance and characteristics of the oscillations. If the surfactant solution density is smaller than the density of the pure liquid, then the buoyancy force leads to a considerable decrease of the induction period and the period of oscillations. The buoyancy force affects also the dependence of the oscillation characteristics on the system dimensions. The results of the simulations are compared with the available experimental data.

Observation of topological valley transport of sound in sonic crystals

NASA Astrophysics Data System (ADS)

Lu, Jiuyang; Qiu, Chunyin; Ye, Liping; Fan, Xiying; Ke, Manzhu; Zhang, Fan; Liu, Zhengyou

2017-04-01

The concept of valley pseudospin, labelling quantum states of energy extrema in momentum space, is attracting attention because of its potential as a new type of information carrier. Compared with the non-topological bulk valley transport, realized soon after predictions, topological valley transport in domain walls is extremely challenging owing to the inter-valley scattering inevitably induced by atomic-scale imperfections--but an electronic signature was recently observed in bilayer graphene. Here, we report the experimental observation of topological valley transport of sound in sonic crystals. The macroscopic nature of sonic crystals permits a flexible and accurate design of domain walls. In addition to a direct visualization of the valley-selective edge modes through spatial scanning of the sound field, reflection immunity is observed in sharply curved interfaces. The topologically protected interface transport of sound, strikingly different from that in traditional sound waveguides, may serve as the basis for designing devices with unconventional functions.

Ion specific correlations in bulk and at biointerfaces.

PubMed

Kalcher, I; Horinek, D; Netz, R R; Dzubiella, J

2009-10-21

Ion specific effects are ubiquitous in any complex colloidal or biological fluid in bulk or at interfaces. The molecular origins of these 'Hofmeister effects' are not well understood and their theoretical description poses a formidable challenge to the modeling and simulation community. On the basis of the combination of atomistically resolved molecular dynamics (MD) computer simulations and statistical mechanics approaches, we present a few selected examples of specific electrolyte effects in bulk, at simple neutral and charged interfaces, and on a short α-helical peptide. The structural complexity in these strongly Coulomb-correlated systems is highlighted and analyzed in the light of available experimental data. While in general the comparison of MD simulations to experiments often lacks quantitative agreement, mostly because molecular force fields and coarse-graining procedures remain to be optimized, the consensus as regards trends provides important insights into microscopic hydration and binding mechanisms.

Space manufacturing in an automated crystal growth facility

NASA Technical Reports Server (NTRS)

Quinn, Alberta W.; Herrmann, Melody C.; Nelson, Pamela J.

1989-01-01

An account is given of a Space Station Freedom-based robotic laboratory system for crystal growth experiments; the robot must interface with both the experimental apparatus and such human input as may be required for control and display. The goal of the system is the simultaneous growth of several hundred protein crystals in microgravity. The robot possesses six degrees-of-freedom, allowing it to efficiently manipulate the cultured crystals as well as their respective growth cells; the crystals produced are expected to be of sufficiently high quality for complete structural determination on the basis of XRD.

Molecules on si: electronics with chemistry.

PubMed

Vilan, Ayelet; Yaffe, Omer; Biller, Ariel; Salomon, Adi; Kahn, Antoine; Cahen, David

2010-01-12

Basic scientific interest in using a semiconducting electrode in molecule-based electronics arises from the rich electrostatic landscape presented by semiconductor interfaces. Technological interest rests on the promise that combining existing semiconductor (primarily Si) electronics with (mostly organic) molecules will result in a whole that is larger than the sum of its parts. Such a hybrid approach appears presently particularly relevant for sensors and photovoltaics. Semiconductors, especially Si, present an important experimental test-bed for assessing electronic transport behavior of molecules, because they allow varying the critical interface energetics without, to a first approximation, altering the interfacial chemistry. To investigate semiconductor-molecule electronics we need reproducible, high-yield preparations of samples that allow reliable and reproducible data collection. Only in that way can we explore how the molecule/electrode interfaces affect or even dictate charge transport, which may then provide a basis for models with predictive power.To consider these issues and questions we will, in this Progress Report, review junctions based on direct bonding of molecules to oxide-free Si.describe the possible charge transport mechanisms across such interfaces and evaluate in how far they can be quantified.investigate to what extent imperfections in the monolayer are important for transport across the monolayer.revisit the concept of energy levels in such hybrid systems.

Kinetic model for reactivity in quaternary water-in-oil microemulsions.

PubMed

García-Río, Luis; Hervella, Pablo

2006-11-06

A study was carried out on the nitrosation of piperazine (PIP) and N-methylbenzylamine (MeBzAm) by N-methyl-N-nitroso-p-toluenesulfonamide (MNTS) in quaternary microemulsions of tetradecyltrimethylammonium bromide (TTABr)/isooctane/alcohol/water, varying the nature and the concentration of the following alcohols: 1-pentanol, 1-hexanol, 1-heptanol, 1-octanol and 1-decanol keeping the [1-alcohol]/[TTABr] = 4 relationship constant. In addition a study was carried out on the influence of the alcohol concentration, working with molar relationships [1-hexanol]/[TTABr]=3, 4 and 5. On the basis of the molar volumes of the alcohol and surfactant and the concentration of alcohol at the interface it was possible to calculate the change in its volume with as varying compositions of the microemulsion. In order to interpret the experimental results a kinetic model was devised which takes into account the distribution of the reactants between the different pseudophases and the change in the volume of the interface. The rate constants at the interface of the microemulsion are lower than in pure water and are independent of the nature of the alcohol used as a cosurfactant and the molar relationship [alcohol]/[TTABr]. This independence indicates that the main role of the cosurfactant is to increase the volume of the interface with the consequent dilution of the reactants.

Role of the interface between distributed fibre optic strain sensor and soil in ground deformation measurement

NASA Astrophysics Data System (ADS)

Zhang, Cheng-Cheng; Zhu, Hong-Hu; Shi, Bin

2016-11-01

Recently the distributed fibre optic strain sensing (DFOSS) technique has been applied to monitor deformations of various earth structures. However, the reliability of soil deformation measurements remains unclear. Here we present an integrated DFOSS- and photogrammetry-based test study on the deformation behaviour of a soil foundation model to highlight the role of strain sensing fibre-soil interface in DFOSS-based geotechnical monitoring. Then we investigate how the fibre-soil interfacial behaviour is influenced by environmental changes, and how the strain distribution along the fibre evolves during progressive interface failure. We observe that the fibre-soil interfacial bond is tightened and the measurement range of the fibre is extended under high densities or low water contents of soil. The plastic zone gradually occupies the whole fibre length when the soil deformation accumulates. Consequently, we derive a theoretical model to simulate the fibre-soil interfacial behaviour throughout the progressive failure process, which accords well with the experimental results. On this basis, we further propose that the reliability of measured strain can be determined by estimating the stress state of the fibre-soil interface. These findings may have important implications for interpreting and evaluating fibre optic strain measurements, and implementing reliable DFOSS-based geotechnical instrumentation.

Defect states at organic-inorganic interfaces: Insight from first principles calculations for pentaerythritol tetranitrate on MgO surface

NASA Astrophysics Data System (ADS)

Tsyshevsky, Roman V.; Rashkeev, Sergey N.; Kuklja, Maija M.

2015-07-01

Light-responsive organic-inorganic interfaces offer experimental opportunities that are otherwise difficult to achieve. Since laser light can be manipulated very precisely, it becomes possible to engineer selective, predictive, and highly controlled interface properties. Photochemistry of organic-inorganic energetic interfaces is a rapidly emerging research field in which energy absorption and interface stability mechanisms have yet to be established. To explore the interaction of the laser irradiation with molecular materials, we performed first principle calculations of a prototype organic-inorganic interface between a nitroester (pentaerythritol tetranitrate, PETN, C5H8N4O12) and a magnesium oxide (MgO) surface. We found that the light absorption is defined by the band alignment between interface components and interfacial charge transfer coupled with electronic states in the band gap, generated by oxide surface defects. Hence the choice of an oxide substrate and its morphology makes the optical absorption tunable and governs both the energy accumulation and energy release at the interface. The obtained results offer a possible consistent interpretation of experiments on selective laser initiation of energetic materials, which reported that the presence of metal oxide additives triggered the photoinitiation by excitation energy much lower than the band gap. We suggest that PETN photodecomposition is catalyzed by oxygen vacancies (F0 centers) at the MgO surface. Our conclusions predict ways for a complete separation of thermo- and photo-stimulated interface chemistry of molecular materials, which is imperative for highly controllable fast decomposition and was not attainable before. The methodology described here can be applied to any type of molecular material/wide band gap dielectric interfaces. It provides a solid basis for novel design and targeted improvements of organic-inorganic interfaces with desired properties that promise to enable vastly new concepts of energy storage and conversion, photocatalysis, and molecular electronics.

Proton Transfers at the Air-Water Interface

NASA Astrophysics Data System (ADS)

Mishra, Himanshu

Proton transfer reactions at the interface of water with hydrophobic media, such as air or lipids, are ubiquitous on our planet. These reactions orchestrate a host of vital phenomena in the environment including, for example, acidification of clouds, enzymatic catalysis, chemistries of aerosol and atmospheric gases, and bioenergetic transduction. Despite their importance, however, quantitative details underlying these interactions have remained unclear. Deeper insight into these interfacial reactions is also required in addressing challenges in green chemistry, improved water quality, self-assembly of materials, the next generation of micro-nanofluidics, adhesives, coatings, catalysts, and electrodes. This thesis describes experimental and theoretical investigation of proton transfer reactions at the air-water interface as a function of hydration gradients, electrochemical potential, and electrostatics. Since emerging insights hold at the lipid-water interface as well, this work is also expected to aid understanding of complex biological phenomena associated with proton migration across membranes. Based on our current understanding, it is known that the physicochemical properties of the gas-phase water are drastically different from those of bulk water. For example, the gas-phase hydronium ion, H3O +(g), can protonate most (non-alkane) organic species, whereas H 3O+(aq) can neutralize only relatively strong bases. Thus, to be able to understand and engineer water-hydrophobe interfaces, it is imperative to investigate this fluctuating region of molecular thickness wherein the 'function' of chemical species transitions from one phase to another via steep gradients in hydration, dielectric constant, and density. Aqueous interfaces are difficult to approach by current experimental techniques because designing experiments to specifically sample interfacial layers (< 1 nm thick) is an arduous task. While recent advances in surface-specific spectroscopies have provided valuable information regarding the structure of aqueous interfaces, but structure alone is inadequate to decipher the function. By similar analogy, theoretical predictions based on classical molecular dynamics have remained limited in their scope. Recently, we have adapted an analytical electrospray ionization mass spectrometer (ESIMS) for probing reactions at the gas-liquid interface in real time. This technique is direct, surface-specific, and provides unambiguous mass-to-charge ratios of interfacial species. With this innovation, we have been able to investigate the following: 1. How do anions mediate proton transfers at the air-water interface? 2. What is the basis for the negative surface potential at the air-water interface? 3. What is the mechanism for catalysis 'on-water'? In addition to our experiments with the ESIMS, we applied quantum mechanics and molecular dynamics to simulate our experiments toward gaining insight at the molecular scale. Our results unambiguously demonstrated the role of electrostatic-reorganization of interfacial water during proton transfer events. With our experimental and theoretical results on the 'superacidity' of the surface of mildly acidic water, we also explored implications on atmospheric chemistry and green chemistry. Our most recent results explained the basis for the negative charge of the air-water interface and showed that the water-hydrophobe interface could serve as a site for enhanced autodissociation of water compared to the condensed phase. In a nutshell, this thesis presents an in-depth account of complementary experiments and theory employed to answer the questions listed above. It is primarily based on the following articles: 1. H. Mishra, S. Enami, L. A. Stewart, R. J. Nielsen, M. R. Hoffmann, W. A. Goddard III, A. J. Colussi, Proceedings of the National Academy of Sciences (2012), 109(46), 18679--18683; 2. H. Mishra, S. Enami, R. J. Nielsen, W. A. Goddard III, M.R. Hoffmann, A. J. Colussi, Proceedings of the National Academy of Sciences (2012), 109(26), 10228--10232; 3. H. Mishra, R. J. Nielsen, S. Enami, M. R. Hoffmann, A. J. Colussi, W. A. Goddard III, International Journal of Quantum Chemistry (2013), 113(4), 413--417; 4. S. Enami, H. Mishra, M. R. Hoffmann, A. J. Colussi, Journal of Physical Chemistry A (2012), 116 (24), 6027--6032. On the recommendation of the thesis committee, Appendix I and II have been added based on the following articles: S. Enami, H. Mishra, M. R. Hoffmann, A. J. Colussi, Journal of Chemical Physics (2012) 136(15), 154707, 1-7, and H. Mishra, C. J. Yu, D. P. Chen, W. A. Goddard, N. F. Dalleska, M. R. Hoffmann, M. S. Diallo, Environmental Science & Technology, (2012) 46(16), 8998-9004.

Cyclic Polarization Behavior of ASTM A537-Cl.1 Steel in the Vapor Space Above Simulated Waste

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

Wiersma, B

2004-11-01

An assessment of the potential degradation mechanisms of Types I and II High-Level Waste (HLW) Tanks determined that pitting corrosion and stress corrosion cracking were the two most significant degradation mechanisms. Specifically, nitrate induced stress corrosion cracking was determined to be the principal degradation mechanism for the primary tank steel of non-stress relieved tanks. Controls on the solution chemistry have been in place to preclude the initiation and propagation of degradation in the tanks. However, recent experience has shown that steel not in contact with the bulk waste solution or slurry, but exposed to the ''vapor space'' above the bulkmore » waste, may be vulnerable to the initiation and propagation of degradation, including pitting and stress corrosion cracking. A program to resolve the issues associated with potential vapor space corrosion is in place. The objective of the program is to develop understanding of vapor space (VSC) and liquid/air interface (LAIC) corrosion to ensure a defensible technical basis to provide accurate corrosion evaluations with regard to vapor space and liquid/air interface corrosion (similar to current evaluations). There are several needs for a technically defensible basis with sufficient understanding to perform these evaluations. These include understanding of the (1) surface chemistry evolution, (2) corrosion response through coupon testing, and (3) mechanistic understanding through electrochemical studies. Experimentation performed in FY02 determined the potential for vapor space and liquid/air interface corrosion of ASTM A285-70 and ASTM A537-Cl.1 steels. The material surface characteristics, i.e. mill-scale, polished, were found to play a key role in the pitting response. The experimentation indicated that the potential for limited vapor space and liquid/air interface pitting exists at 1.5M nitrate solution when using chemistry controls designed to prevent stress corrosion cracking. Experimentation performed in FY03 quantified pitting rates as a function of material surface characteristics, including mill-scale and defects within the mill-scale. Testing was performed on ASTM A537-Cl.1 (normalized) steel, the material of construction of the Type III HLW tanks. The pitting rates were approximately 3 mpy for exposure above inhibited solutions, as calculated from the limited exposure times. This translates to a penetration time of 166 years for a 0.5-in tank wall provided that the pitting rate remains constant and the bulk solution chemistry is maintained within the L3 limit. The FY04 testing consisted of electrochemical testing to potentially lend insight into the surface chemistry and further understand the corrosion mechanism in the vapor space. Electrochemical testing lends insight into the corrosion processes through the determination of current potential relationships. The results of the electrochemical testing performed during FY04 are presented here.« less

Analysis of polymer/oxide interfaces under ambient conditions - An experimental perspective

NASA Astrophysics Data System (ADS)

González-Orive, A.; Giner, I.; de los Arcos, T.; Keller, A.; Grundmeier, G.

2018-06-01

In many different hybrid materials and materials composites polymers adhere to bulk oxides or oxide covered metal. The formed polymer/oxide interfaces are of crucial importance for the functionality and durability of such complex materials. Especially, under humid and corrosive conditions such interfaces tend to degrade due to permeability of polymers for water, the high adsorption energy of water on oxide surfaces and even corrosion processes of the metal. Different experimental studies considered such interfaces ranging from spectroscopy to electrochemical analysis. However, it is still a challenge to understand the complex interaction especially under non-ideal ambient conditions. The perspective article presents an overview on the existing experimental approaches and considers most recent experimental developments with regard to their potential applications in the area of polymer/oxide interfaces in the future.

Molecular-Scale Description of SPAN80 Desorption from a Squalane-Water Interface.

PubMed

Tan, L; Pratt, L R; Chaudhari, M I

2018-04-05

Extensive all-atom molecular dynamics calculations on the water-squalane interface for nine different loadings with sorbitan monooleate (SPAN80), at T = 300 K, are analyzed for the surface tension equation of state, desorption free-energy profiles as they depend on loading, and to evaluate escape times for adsorbed SPAN80 into the bulk phases. These results suggest that loading only weakly affects accommodation of a SPAN80 molecule by this squalane-water interface. Specifically, the surface tension equation of state is simple through the range of high tension to high loading studied, and the desorption free-energy profiles are weakly dependent on loading here. The perpendicular motion of the centroid of the SPAN80 headgroup ring is well-described by a diffusional model near the minimum of the desorption free-energy profile. Lateral diffusional motion is weakly dependent on loading. Escape times evaluated on the basis of a diffusional model and the desorption free energies are 7 × 10 -2 s (into the squalane) and 3 × 10 2 h (into the water). The latter value is consistent with desorption times of related lab-scale experimental work.

Two-dimensional simulation of high-power laser-surface interaction

NASA Astrophysics Data System (ADS)

Goldman, S. Robert; Wilke, Mark D.; Green, Ray E.; Busch, George E.; Johnson, Randall P.

1998-09-01

For laser intensities in the range of 108 - 109 W/cm2, and pulse lengths of order 10 microseconds or longer, we have modified the inertial confinement fusion code Lasnex to simulate gaseous and some dense material aspects of the laser-matter interaction. The unique aspect of our treatment consists of an ablation model which defines a dense material-vapor interface and then calculates the mass flow across this interface. The model treats the dense material as a rigid two-dimensional mass and heat reservoir suppressing all hydrodynamic motion in the dense material. The computer simulations and additional post-processors provide predictions for measurements including impulse given to the target, pressures at the target interface, electron temperatures and densities in the vapor-plasma plume region, and emission of radiation from the target. We will present an analysis of some relatively well diagnosed experiments which have been useful in developing our modeling. The simulations match experimentally obtained target impulses, pressures at the target surface inside the laser spot, and radiation emission from the target to within about 20%. Hence our simulational technique appears to form a useful basis for further investigation of laser-surface interaction in this intensity, pulse-width range.

Kinetic transition in the order-disorder transformation at a solid/liquid interface

NASA Astrophysics Data System (ADS)

Galenko, P. K.; Nizovtseva, I. G.; Reuther, K.; Rettenmayr, M.

2018-01-01

Phase-field analysis for the kinetic transition in an ordered crystal structure growing from an undercooled liquid is carried out. The results are interpreted on the basis of analytical and numerical solutions of equations describing the dynamics of the phase field, the long-range order parameter as well as the atomic diffusion within the crystal/liquid interface and in the bulk crystal. As an example, the growth of a binary A50B50 crystal is described, and critical undercoolings at characteristic changes of growth velocity and the long-range order parameter are defined. For rapidly growing crystals, analogies and qualitative differences are found in comparison with known non-equilibrium effects, particularly solute trapping and disorder trapping. The results and model predictions are compared qualitatively with results of the theory of kinetic phase transitions (Chernov 1968 Sov. Phys. JETP 26, 1182-1190) and with experimental data obtained for rapid dendritic solidification of congruently melting alloy with order-disorder transition (Hartmann et al. 2009 Europhys. Lett. 87, 40007 (doi:10.1209/0295-5075/87/40007)). This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

Specific heat and related thermophysical properties of liquid Fe-Cu-Mo alloy

NASA Astrophysics Data System (ADS)

Wang, Haipeng; Luo, Bingchi; Chang, Jian; Wei, Bingbo

2007-08-01

The specific heat and related thermophysical properties of liquid Fe77.5Cu13Mo9.5 monotectic alloy were investigated by an electromagnetic levitation drop calorimeter over a wide temperature range from 1482 to 1818 K. A maximum undercooling of 221 K (0.13 T m) was achieved and the specific heat was determined as 44.71 J·mol-1·K-1. The excess specific heat, enthalpy change, entropy change and Gibbs free energy difference of this alloy were calculated on the basis of experimental results. It was found that the calculated results by traditional estimating methods can only describe the solidification process under low undercooling conditions. Only the experimental results can reflect the reality under high undercooling conditions. Meanwhile, the thermal diffusivity, thermal conductivity, and sound speed were derived from the present experimental results. Furthermore, the solidified microstructural morphology was examined, which consists of (Fe) and (Cu) phases. The calculated interface energy was applied to exploring the correlation between competitive nucleation and solidification microstructure within monotectic alloy.

Crack nucleation using combined crystal plasticity modelling, high-resolution digital image correlation and high-resolution electron backscatter diffraction in a superalloy containing non-metallic inclusions under fatigue

PubMed Central

Zhang, Tiantian; Britton, Ben; Shollock, Barbara; Dunne, Fionn

2016-01-01

A crystal plasticity finite-element model, which explicitly and directly represents the complex microstructures of a non-metallic agglomerate inclusion within polycrystal nickel alloy, has been developed to study the mechanistic basis of fatigue crack nucleation. The methodology is to use the crystal plasticity model in conjunction with direct measurement at the microscale using high (angular) resolution-electron backscatter diffraction (HR-EBSD) and high (spatial) resolution-digital image correlation (HR-DIC) strain measurement techniques. Experimentally, this sample has been subjected to heat treatment leading to the establishment of residual (elastic) strains local to the agglomerate and subsequently loaded under conditions of low cyclic fatigue. The full thermal and mechanical loading history was reproduced within the model. HR-EBSD and HR-DIC elastic and total strain measurements demonstrate qualitative and quantitative agreement with crystal plasticity results. Crack nucleation by interfacial decohesion at the nickel matrix/agglomerate inclusion boundaries is observed experimentally, and systematic modelling studies enable the mechanistic basis of the nucleation to be established. A number of fatigue crack nucleation indicators are also assessed against the experimental results. Decohesion was found to be driven by interface tensile normal stress alone, and the interfacial strength was determined to be in the range of 1270–1480 MPa. PMID:27279765

Crack nucleation using combined crystal plasticity modelling, high-resolution digital image correlation and high-resolution electron backscatter diffraction in a superalloy containing non-metallic inclusions under fatigue

NASA Astrophysics Data System (ADS)

Zhang, Tiantian; Jiang, Jun; Britton, Ben; Shollock, Barbara; Dunne, Fionn

2016-05-01

A crystal plasticity finite-element model, which explicitly and directly represents the complex microstructures of a non-metallic agglomerate inclusion within polycrystal nickel alloy, has been developed to study the mechanistic basis of fatigue crack nucleation. The methodology is to use the crystal plasticity model in conjunction with direct measurement at the microscale using high (angular) resolution-electron backscatter diffraction (HR-EBSD) and high (spatial) resolution-digital image correlation (HR-DIC) strain measurement techniques. Experimentally, this sample has been subjected to heat treatment leading to the establishment of residual (elastic) strains local to the agglomerate and subsequently loaded under conditions of low cyclic fatigue. The full thermal and mechanical loading history was reproduced within the model. HR-EBSD and HR-DIC elastic and total strain measurements demonstrate qualitative and quantitative agreement with crystal plasticity results. Crack nucleation by interfacial decohesion at the nickel matrix/agglomerate inclusion boundaries is observed experimentally, and systematic modelling studies enable the mechanistic basis of the nucleation to be established. A number of fatigue crack nucleation indicators are also assessed against the experimental results. Decohesion was found to be driven by interface tensile normal stress alone, and the interfacial strength was determined to be in the range of 1270-1480 MPa.

Prediction of mass transfer coefficients in non-Newtonian fermentation media using first-principles methods.

PubMed

Radl, Stefan; Khinast, Johannes G

2007-08-01

Bubble flows in non-Newtonian fluids were analyzed using first-principles methods with the aim to compute and predict mass transfer coefficients in such fermentation media. The method we used is a Direct Numerical Simulation (DNS) of the reactive multiphase flow with deformable boundaries and interfaces. With this method, we are able for the first time to calculate mass transfer coefficients in non-Newtonian liquids of different rheologies without any experimental data. In the current article, shear-thinning fluids are considered. However, the results provide the basis for further investigations, such as the study of viscoelastic fluids. (c) 2007 Wiley Periodicals, Inc.

Interface mediated enhanced mixing of multilayered Ni-Bi thin films by swift heavy ion irradiation

NASA Astrophysics Data System (ADS)

Siva, V.; Chettah, A.; Ojha, S.; Tripathi, A.; Kanjilal, D.; Sahoo, Pratap K.

2017-10-01

We report the effect of ion beam mixing of Ni/Bi multilayers using 100 MeV Au ions as a function of irradiation fluences. X-ray diffraction study reveals the higher magnitude of NiBi3 and NiBi phases compared to elemental Ni and Bi after ion irradiation. We observe an evolution of grainy structures to a molten-like surface with increasing ion fluences. These features were also reflected in the Rutherford Backscattering spectrometry spectra, in terms of the enhanced mixing with increasing ion fluences. The experimental findings were understood on the basis of inelastic thermal spike model calculations.

Molecular dynamics study of rhodamine 6G diffusion at n-decane-water interfaces.

PubMed

Popov, Piotr; Steinkerchner, Leo; Mann, Elizabeth K

2015-05-01

Two-dimensional diffusion of a rhodamine 6G fluorescent tracer molecule at the n-decane-water interface was studied with all-atom molecular dynamics simulations. In agreement with experimental data, we find increased mobility of the tracer at the n-decane-water interfaces in comparison to its mobility in bulk water. Orientational ordering of water and n-decane molecules near the interface is observed, and may change the interfacial viscosity as suggested to explain the experimental data. However, the restricted rotational motion of the rhodamine molecule at the interface suggests that the Saffman-Delbrück model may be a more appropriate approximation of rhodamine diffusion at n-decane-water interfaces, and, without any decrease in interfacial viscosity, suggests faster diffusion consistent with both experimental and simulation values.

Evolvable synthetic neural system

NASA Technical Reports Server (NTRS)

Curtis, Steven A. (Inventor)

2009-01-01

An evolvable synthetic neural system includes an evolvable neural interface operably coupled to at least one neural basis function. Each neural basis function includes an evolvable neural interface operably coupled to a heuristic neural system to perform high-level functions and an autonomic neural system to perform low-level functions. In some embodiments, the evolvable synthetic neural system is operably coupled to one or more evolvable synthetic neural systems in a hierarchy.

Fatigue creep damage at the cement-bone interface: an experimental and a micro-mechanical finite element study

PubMed Central

Waanders, Daan; Janssen, Dennis; Miller, Mark A.; Mann, Kenneth A.; Verdonschot, Nico

2009-01-01

The goal of this study was to quantify the micromechanics of the cement-bone interface under tensile fatigue loading using finite element analysis (FEA) and to understand the underlying mechanisms that play a role in the fatigue behavior of this interface. Laboratory cement-bone specimens were subjected to a tensile fatigue load, while local displacements and crack growth on the specimen's surface were monitored. FEA models were created from these specimens based upon micro-computed tomography data. To accurately model interfacial gaps at the interface between the bone and cement, a custom-written erosion algorithm was applied to the bone model. A fatigue load was simulated in the FEA models while monitoring the local displacements and crack propagation. The results showed the FEA models were able to capture the general experimental creep damage behavior and creep stages of the interface. Consistent with the experiments, the majority of the deformation took place at the contact interface. Additionally, the FEA models predicted fatigue crack patterns similar to experimental findings. Experimental surface cracks correlated moderately with FEA surface cracks (r2=0.43), but did not correlate with the simulated crack volume fraction (r2=0.06). Although there was no relationship between experimental surface cracks and experimental creep damage displacement (r2=0.07), there was a strong relationship between the FEA crack volume fraction and the FEA creep damage displacement (r2=0.76). This study shows the additional value of FEA of the cement-bone interface relative to experimental studies and can therefore be used to optimize its mechanical properties. PMID:19682690

On the mobility of carriers at semi-coherent oxide heterointerfaces

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

Dholabhai, Pratik P.; Martinez, Enrique Saez; Brown, Nicholas Taylor

In the quest to develop new materials with enhanced ionic conductivity for battery and fuel cell applications, nano-structured oxides have attracted attention. Experimental reports indicate that oxide heterointerfaces can lead to enhanced ionic conductivity, but these same reports cannot elucidate the origin of this enhancement, often vaguely referring to pipe diffusion at misfit dislocations as a potential explanation. However, this highlights the need to understand the role of misfit dislocation structure at semi-coherent oxide heterointerfaces in modifying carrier mobilities. Here, we use atomistic and kinetic Monte Carlo (KMC) simulations to develop a model of oxygen vacancy migration at SrTiO 3/MgOmore » interfaces, chosen because the misfit dislocation structure can be modified by changing the termination chemistry. We use atomistic simulations to determine the energetics of oxygen vacancies at both SrO and TiO 2 terminated interfaces, which are then used as the basis of the KMC simulations. While this model is approximate (as revealed by select nudged elastic band calculations), it highlights the role of the misfit dislocation structure in modifying the oxygen vacancy dynamics. We find that oxygen vacancy mobility is significantly reduced at either interface, with slight differences at each interface due to the differing misfit dislocation structure. Here, we conclude that if such semi-coherent oxide heterointerfaces induce enhanced ionic conductivity, it is not a consequence of higher carrier mobility.« less

On the mobility of carriers at semi-coherent oxide heterointerfaces

DOE PAGES

Dholabhai, Pratik P.; Martinez, Enrique Saez; Brown, Nicholas Taylor; ...

2017-08-17

In the quest to develop new materials with enhanced ionic conductivity for battery and fuel cell applications, nano-structured oxides have attracted attention. Experimental reports indicate that oxide heterointerfaces can lead to enhanced ionic conductivity, but these same reports cannot elucidate the origin of this enhancement, often vaguely referring to pipe diffusion at misfit dislocations as a potential explanation. However, this highlights the need to understand the role of misfit dislocation structure at semi-coherent oxide heterointerfaces in modifying carrier mobilities. Here, we use atomistic and kinetic Monte Carlo (KMC) simulations to develop a model of oxygen vacancy migration at SrTiO 3/MgOmore » interfaces, chosen because the misfit dislocation structure can be modified by changing the termination chemistry. We use atomistic simulations to determine the energetics of oxygen vacancies at both SrO and TiO 2 terminated interfaces, which are then used as the basis of the KMC simulations. While this model is approximate (as revealed by select nudged elastic band calculations), it highlights the role of the misfit dislocation structure in modifying the oxygen vacancy dynamics. We find that oxygen vacancy mobility is significantly reduced at either interface, with slight differences at each interface due to the differing misfit dislocation structure. Here, we conclude that if such semi-coherent oxide heterointerfaces induce enhanced ionic conductivity, it is not a consequence of higher carrier mobility.« less

X-Ray Photoelectron Spectroscopy and Ultrahigh Vacuum Contactless Capacitance-Voltage Characterization of Novel Oxide-Free InP Passivation Process Using a Silicon Surface Quantum Well

NASA Astrophysics Data System (ADS)

Takahashi, Hiroshi; Hashizume, Tamotsu; Hasegawa, Hideki

1999-02-01

In order to understand and optimize a novel oxide-free InP passivation process using a silicon surface quantum well, a detailed in situ X-ray photoelectron spectroscopy (XPS) and ultrahigh vacuum (UHV) contactless capacitance-voltage (C-V) study of the interface was carried out. Calculation of quantum levels in the silicon quantum well was performed on the basis of the band lineup of the strained Si3N4/Si/InP interface and the result indicated that the interface should become free of gap states when the silicon layer thickness is below 5 Å. Experimentally, such a delicate Si3N4/Si/InP structure was realized by partial nitridation of a molecular beam epitaxially (MBE) grown pseudomorphic silicon layer using an electron cyclotron resonance (ECR) N2 plasma. The progress of nitridation was investigated in detail by angle-resolved XPS. A newly developed UHV contactless C-V method realized in situ characterization of surface electronic properties of InP at each processing step for passivation. It was found that the interface state density decreased substantially into the 1010 cm-2 eV-1 range by optimizing the nitridation process of the silicon layer. It was concluded that both the surface bond termination and state removal by quantum confinement are responsible for the NSS reduction.

Nanoparticles in liquid crystals, and liquid crystals in nanoparticles

NASA Astrophysics Data System (ADS)

de Pablo, Juan

2015-03-01

Liquid crystals are remarkably sensitive to interfacial interactions. Small perturbations at a liquid crystal interface, for example, can be propagated over relatively long length scales, thereby providing the basis for a wide range of applications that rely on amplification of molecular events into macroscopic observables. Our recent research efforts have focused on the reverse phenomenon; that is, we have sought to manipulate the interfacial assembly of nanoparticles or the organization of surface active molecules by controlling the structure of a liquid crystal. This presentation will consist of a review of the basic principles that are responsible for liquid crystal-mediated interactions, followed by demonstrations of those principles in the context of two types of systems. In the first, a liquid crystal is used to direct the assembly of nanoparticles; through a combination of molecular and continuum models, it is found that minute changes in interfacial energy and particle size lead to liquid-crystal induced attractions that can span multiple orders of magnitude. Theoretical predictions are confirmed by experimental observations, which also suggest that LC-mediated assembly provides an effective means for fabrication of plasmonic devices. In the second type of system, the structure of a liquid crystal is controlled by confinement in submicron droplets. The morphology of the liquid crystal in a drop depends on a delicate balance between bulk and interfacial contributions to the free energy; that balance can be easily perturbed by adsorption of analytes or nanoparticles at the interface, thereby providing the basis for development of hierarchical assembly of responsive, anisotropic materials. Theoretical predictions also indicate that the three-dimensional order of a liquid crystal can be projected onto a two-dimensional interface, and give rise to novel nanostructures that are not found in simple isotropic fluids.

Specific Anion Effects on Na+ Adsorption at the Aqueous Solution-Air Interface: MD Simulations, SESSA Calculations, and Photoelectron Spectroscopy Experiments.

PubMed

Olivieri, Giorgia; Parry, Krista M; D'Auria, Raffaella; Tobias, Douglas J; Brown, Matthew A

2018-01-18

Specific ion effects of the large halide anions have been shown to moderate anion adsorption to the air-water interface (AWI), but little quantitative attention has been paid to the behavior of alkali cations. Here we investigate the concentration and local distribution of sodium (Na + ) at the AWI in dilute (<1 M) aqueous solutions of NaCl, NaBr, and NaI using a combination of molecular dynamics (MD) and SESSA simulations, and liquid jet ambient pressure photoelectron spectroscopy measurements. We use SESSA to simulate Na 2p photoelectron intensities on the basis of the atom density profiles obtained from MD simulations, and we compare the simulation results with photoelectron spectroscopy experiments to evaluate the performance of a nonpolarizable force field model versus that of an induced dipole polarizable one. Our results show that the nonpolarizable force model developed by Horinek and co-workers (Chem. Phys. Lett. 2009, 479, 173-183) accurately predicts the local concentration and distribution of Na + near the AWI for all three electrolytes, whereas the polarizable model does not. To our knowledge, this is the first interface-specific spectroscopic validation of a MD force field. The molecular origins of the unique Na + distributions for the three electrolytes are analyzed on the basis of electrostatic arguments, and shown to arise from an indirect anion effect wherein the identity of the anion affects the strength of the attractive Na + -H 2 O electrostatic interaction. Finally, we use the photoelectron spectroscopy results to constrain the range of inelastic mean free paths (IMFPs) for the three electrolyte solutions used in the SESSA simulations that are able to reproduce the experimental intensities. Our results suggest that earlier estimates of IMFPs for aqueous solutions are likely too high.

Aerodynamic features of flames in premixed gases

NASA Technical Reports Server (NTRS)

Oppenheim, A. K.

1984-01-01

A variety of experimentally established flame phenomena in premixed gases are interpreted by relating them to basic aerodynamic properties of the flow field. On this basis the essential mechanism of some well known characteristic features of flames stabilized in the wake of a bluff-body or propagating in ducts are revealed. Elementary components of the flame propagation process are shown to be: rotary motion, self-advancement, and expansion. Their consequences are analyzed under a most strict set of idealizations that permit the flow field to be treated as potential in character, while the flame is modelled as a Stefan-like interface capable of exerting a feed-back effect upon the flow field. The results provide an insight into the fundamental fluid-mechanical reasons for the experimentally observed distortions of the flame front, rationalizing in particular its ability to sustain relatively high flow velocities at amazingly low normal burning speeds.

Experimental land observing data system feasibility study

NASA Technical Reports Server (NTRS)

Buckley, J. L.; Kraiman, H.

1982-01-01

An end-to-end data system to support a Shuttle-based Multispectral Linear Array (MLA) mission in the mid-1980's was defined. The experimental Land Observing System (ELOS) is discussed. A ground system that exploits extensive assets from the LANDSAT-D Program to effectively meet the objectives of the ELOS Mission was defined. The goal of 10 meter pixel precision, the variety of data acquisition capabilities, and the use of Shuttle are key to the mission requirements, Ground mission management functions are met through the use of GSFC's Multi-Satellite Operations Control Center (MSOCC). The MLA Image Generation Facility (MIGF) combines major hardware elements from the Applications Development Data System (ADDS) facility and LANDSAT Assessment System (LAS) with a special purpose MLA interface unit. LANDSAT-D image processing techniques, adapted to MLA characteristics, form the basis for the use of existing software and the definition of new software required.

Thin-film CdTe detector for microdosimetric study of radiation dose enhancement at gold-tissue interface.

PubMed

Paudel, Nava Raj; Shvydka, Diana; Parsai, E Ishmael

2016-09-08

Presence of interfaces between high and low atomic number (Z) materials, often encountered in diagnostic imaging and radiation therapy, leads to radiation dose perturbation. It is characterized by a very narrow region of sharp dose enhancement at the interface. A rapid falloff of dose enhancement over a very short distance from the interface makes the experimental dosimetry nontrivial. We use an in-house-built inexpensive thin-film Cadmium Telluride (CdTe) photodetector to study this effect at the gold-tissue interface and verify our experimental results with Monte Carlo (MC) modeling. Three-micron thick thin-film CdTe photodetectors were fabricated in our lab. One-, ten- or one hundred-micron thick gold foils placed in a tissue-equivalent-phantom were irradiated with a clinical Ir-192 high-dose-rate (HDR) source and current measured with a CdTe detector in each case was compared with the current measured for all uniform tissue-equivalent phantom. Percentage signal enhancement (PSE) due to each gold foil was then compared against MC modeled percentage dose enhancement (PDE), obtained from the geometry mimicking the experimental setup. The experimental PSEs due to 1, 10, and 100 μm thick gold foils at the closest measured distance of 12.5μm from the interface were 42.6 ± 10.8 , 137.0 ± 11.9, and 203.0 ± 15.4, respectively. The corresponding MC modeled PDEs were 38.1 ± 1, 164 ± 1, and 249 ± 1, respectively. The experimental and MC modeled values showed a closer agreement at the larger distances from the interface. The dose enhancement in the vicinity of gold-tissue interface was successfully measured using an in-house-built, high-resolution CdTe-based photodetector and validated with MC simulations. A close agreement between experimental and the MC modeled results shows that CdTe detector can be utilized for mapping interface dose distribution encountered in the application of ionizing radiation. © 2016 The Authors.

Seismic modeling with radial basis function-generated finite differences (RBF-FD) – a simplified treatment of interfaces

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

Martin, Bradley, E-mail: brma7253@colorado.edu; Fornberg, Bengt, E-mail: Fornberg@colorado.edu

In a previous study of seismic modeling with radial basis function-generated finite differences (RBF-FD), we outlined a numerical method for solving 2-D wave equations in domains with material interfaces between different regions. The method was applicable on a mesh-free set of data nodes. It included all information about interfaces within the weights of the stencils (allowing the use of traditional time integrators), and was shown to solve problems of the 2-D elastic wave equation to 3rd-order accuracy. In the present paper, we discuss a refinement of that method that makes it simpler to implement. It can also improve accuracy formore » the case of smoothly-variable model parameter values near interfaces. We give several test cases that demonstrate the method solving 2-D elastic wave equation problems to 4th-order accuracy, even in the presence of smoothly-curved interfaces with jump discontinuities in the model parameters.« less

Seismic modeling with radial basis function-generated finite differences (RBF-FD) - a simplified treatment of interfaces

NASA Astrophysics Data System (ADS)

Martin, Bradley; Fornberg, Bengt

2017-04-01

In a previous study of seismic modeling with radial basis function-generated finite differences (RBF-FD), we outlined a numerical method for solving 2-D wave equations in domains with material interfaces between different regions. The method was applicable on a mesh-free set of data nodes. It included all information about interfaces within the weights of the stencils (allowing the use of traditional time integrators), and was shown to solve problems of the 2-D elastic wave equation to 3rd-order accuracy. In the present paper, we discuss a refinement of that method that makes it simpler to implement. It can also improve accuracy for the case of smoothly-variable model parameter values near interfaces. We give several test cases that demonstrate the method solving 2-D elastic wave equation problems to 4th-order accuracy, even in the presence of smoothly-curved interfaces with jump discontinuities in the model parameters.

Adhesive joint evaluation by ultrasonic interface and lamb waves

NASA Technical Reports Server (NTRS)

Rokhlin, S. I.

1986-01-01

Some results on the application of interface and Lamb waves for the study of curing of thin adhesive layers were summarized. In the case of thick substrates (thickness much more than the wave length) the interface waves can be used. In this case the experimental data can be inverted and the shear modulus of the adhesive film may be explicitly found based on the measured interface wave velocity. It is shown that interface waves can be used for the study of curing of structural adhesives as a function of different temperatures and other experimental conditions. The kinetics of curing was studied. In the case of thin substrates the wave phenomena are much more complicated. It is shown that for successful measurements proper selection of experimental conditions is very important. This can be done based on theoretical estimations. For correctly selected experimental conditions the Lamb waves may be a sensitive probe of adhesive bond quality and may be used or cure monitoring.

Calculation of the solvus temperature of metastable phases in the Al-Mg-Si alloys

NASA Astrophysics Data System (ADS)

Vasilyev, A. A.; Gruzdev, A. S.; Kuz'min, N. L.

2011-09-01

A procedure has been proposed for the self-consistent calculation of the solvus temperatures of metastable phase precipitates in Al-Mg-Si alloys and the specific energy of their interface with the aluminum matrix. The procedure is based on the results of experimental studies on the kinetics of formation of these precipitates during decomposition of supersaturated solid solutions of quenched Al-Mg-Si alloys, which were carried out by measuring the Young's modulus and electrical resistivity. On the basis of the obtained set of solvus temperatures of the β″-phase, an empirical formula has been proposed for calculating this temperature as a function of the chemical composition of the initial solid solution.

Using Multiple Dialog Modes in a User-System Interface to Accomodate Different Levels of User Experience: An Experimental Study.

DTIC Science & Technology

1986-01-01

Chapter it Research Methodology This chapter describes the methodology and the experimental design used for this research. Prior to discussing the...50 Experimental Design ............................... 50 Task/Treatm ent ................................... 55 Task Design ...Figure 3.3 Interface Experiment Elements ............... 54 Figure 3.4 Experimental Design ....................... 55 Figure 3.5 Subject Assignment

Thermodynamic properties of rhamnolipid micellization and adsorption.

PubMed

Mańko, Diana; Zdziennicka, Anna; Jańczuk, Bronisław

2014-07-01

of the surface tension, density, viscosity and conductivity of aqueous solutions of rhamnolipid at natural and controlled pH were made at 293 K. On the basis of the obtained results the critical micelle concentration of rhamnolipid and its Gibbs surface excess concentration at the water-air interface were determined. The maximal surface excess concentration was considered in the light of the size of rhamnolipid molecule. Next the Gibbs standard free energy of rhamnolipid adsorption at this interface was determined on the basis of the different approaches to this energy. The standard free energy of adsorption was also deduced on the basis of the surface tension of n-hexane and water-n-hexane interface tension. Standard free energy obtained in this way was close to those determined by using the Langmuir, Szyszkowski, Aronson and Rosen, Gu and Zhu as well as modified Gamboa and Olea equations. The standard free energy of rhamnolipid adsorption at the water-air interface was compared to its standard free energy of micellization which was determined from the Philips equation taking into account the degree of rhamnolipid dissociation in the micelles. Copyright © 2014 Elsevier B.V. All rights reserved.

Enhancement of gesture recognition for contactless interface using a personalized classifier in the operating room.

PubMed

Cho, Yongwon; Lee, Areum; Park, Jongha; Ko, Bemseok; Kim, Namkug

2018-07-01

Contactless operating room (OR) interfaces are important for computer-aided surgery, and have been developed to decrease the risk of contamination during surgical procedures. In this study, we used Leap Motion™, with a personalized automated classifier, to enhance the accuracy of gesture recognition for contactless interfaces. This software was trained and tested on a personal basis that means the training of gesture per a user. We used 30 features including finger and hand data, which were computed, selected, and fed into a multiclass support vector machine (SVM), and Naïve Bayes classifiers and to predict and train five types of gestures including hover, grab, click, one peak, and two peaks. Overall accuracy of the five gestures was 99.58% ± 0.06, and 98.74% ± 3.64 on a personal basis using SVM and Naïve Bayes classifiers, respectively. We compared gesture accuracy across the entire dataset and used SVM and Naïve Bayes classifiers to examine the strength of personal basis training. We developed and enhanced non-contact interfaces with gesture recognition to enhance OR control systems. Copyright © 2018 Elsevier B.V. All rights reserved.

The Application of Current User Interface Technology to Interactive Wargaming Systems.

DTIC Science & Technology

1987-09-01

components is essential to the Macintosh interface. Apple states that "Consistent visual communication is very powerful in delivering complex messages...interface. A visual interface uses visual objects as the basis of communication. "A visual communication object is some combination S. of text and...graphics used for communication under a system of inter- pretation, or visual language." The benefit of visual communication is V 45 "When humans are faced

Understanding the role of dynamics in the iron sulfur cluster molecular machine.

PubMed

di Maio, Danilo; Chandramouli, Balasubramanian; Yan, Robert; Brancato, Giuseppe; Pastore, Annalisa

2017-01-01

The bacterial proteins IscS, IscU and CyaY, the bacterial orthologue of frataxin, play an essential role in the biological machine that assembles the prosthetic FeS cluster groups on proteins. They form functionally binary and ternary complexes both in vivo and in vitro. Yet, the mechanism by which they work remains unclear. We carried out extensive molecular dynamics simulations to understand the nature of their interactions and the role of dynamics starting from the crystal structure of a IscS-IscU complex and the experimentally-based model of a ternary IscS-IscU-CyaY complex and used nuclear magnetic resonance to experimentally test the interface. We show that, while being firmly anchored to IscS, IscU has a pivotal motion around the interface. Our results also describe how the catalytic loop of IscS can flip conformation to allow FeS cluster assembly. This motion is hampered in the ternary complex explaining its inhibitory properties in cluster formation. We conclude that the observed 'fluid' IscS-IscU interface provides the binary complex with a functional adaptability exploited in partner recognition and unravels the molecular determinants of the reported inhibitory action of CyaY in the IscS-IscU-CyaY complex explained in terms of the hampering effect on specific IscU-IscS movements. Our study provides the first mechanistic basis to explain how the IscS-IscU complex selects its binding partners and supports the inhibitory role of CyaY in the ternary complex. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

On the mechanical stability of porous coated press fit titanium implants: a finite element study of a pushout test.

PubMed

Helgason, Benedikt; Viceconti, Marco; Rúnarsson, Tómas P; Brynjólfsson, Sigurour

2008-01-01

Pushout tests can be used to estimate the shear strength of the bone implant interface. Numerous such experimental studies have been published in the literature. Despite this researchers are still some way off with respect to the development of accurate numerical models to simulate implant stability. In the present work a specific experimental pushout study from the literature was simulated using two different bones implant interface models. The implant was a porous coated Ti-6Al-4V retrieved 4 weeks postoperatively from a dog model. The purpose was to find out which of the interface models could replicate the experimental results using physically meaningful input parameters. The results showed that a model based on partial bone ingrowth (ingrowth stability) is superior to an interface model based on friction and prestressing due to press fit (initial stability). Even though the present study is limited to a single experimental setup, the authors suggest that the presented methodology can be used to investigate implant stability from other experimental pushout models. This would eventually enhance the much needed understanding of the mechanical response of the bone implant interface and help to quantify how implant stability evolves with time.

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

Fischer, Sean A.; Ueltschi, Tyler W.; El-Khoury, Patrick Z.

Carbon-hydrogen (C-H) vibration modes serve as key probes in the chemical identification of hydrocarbons and in vibrational sum-frequency generation (SFG) spectroscopy of hydrocarbons at the liquid/gas interface. Their assignments pose a challenge from a theoretical viewpoint. Here in this work, we present a detailed study of the C-H stretching region of dimethyl sulfoxide (DMSO) using a new Gaussian basis set- based ab initio molecular dynamics (AIMD) module that we have implemented in the NWChem computational chemistry program. By combining AIMD simulations and static normal mode analysis, we interpret experimental infrared and Raman spectra and explore the role of anharmonic effectsmore » in this system. Our anharmonic normal mode analysis of the in-phase and out-of-phase symmetric C-H stretching modes challenges the previous experimental assignment of the shoulder in the symmetric C-H stretching peak as an overtone or Fermi resonance. In addition, our AIMD simulations also show significant broadening of the in-phase symmetric C-H stretching resonance, which suggests that the experimentally observed shoulder is due to thermal broadening of the symmetric stretching resonance.« less

Mass Accommodation and Chemical Reaction at Gas-Liquid Interfaces

NASA Astrophysics Data System (ADS)

Kolb, C. E.; Williams, L. R.; Jayne, J. T.; Worsnop, D. R.; Davidovits, P.

2006-12-01

The uptake of trace gases by liquid surfaces is an important process that initiates the heterogeneous chemistry of liquid aerosol particles and cloud droplets. We have recently reviewed the available experimental data for liquid aqueous and aqueous/organic surfaces (1). The review highlights some inconsistencies among experimental results and between experimental results and molecular dynamics simulations. Some of these inconsistencies will be evaluated and discussed in terms of the physics of liquid interfaces, the limitations of various experimental techniques and the disparate scales of laboratory experiments and current molecular simulations (1, 2). 1. Davidovits, P., Kolb, C. E., Williams, L. R., Jayne, J. T., Worsnop, D. R., 2006, Mass Accommodation and Chemical Reactions at Gas Liquid Interfaces, Chem. Rev. 106, 1323-1354. 2. Garrett, B. C., Schenter, G. K., Morita, A., 2006, Molecular Simulations of Molecules across the Liquid/Vapor Interface of Water, Chem. Rev. 106, 1355-1374.

Processing eutectics in space

NASA Technical Reports Server (NTRS)

Douglas, F. C.; Galasso, F. S.

1974-01-01

Experimental work is reported which was directed toward obtaining interface shape control while a numerical thermal analysis program was being made operational. An experimental system was developed in which the solid-liquid interface in a directionally solidified aluminum-nickel eutectic could be made either concave to the melt or convex to the melt. This experimental system provides control over the solid-liquid interface shape and can be used to study the effect of such control on the microstructure. The SINDA thermal analysis program, obtained from Marshall Space Flight Center, was used to evaluate experimental directional solidification systems for the aluminum-nickel and the aluminum-copper eutectics. This program was applied to a three-dimensional ingot, and was used to calculate the thermal profiles in axisymmetric heat flow. The results show that solid-liquid interface shape control can be attained with physically realizable thermal configurations and the magnitudes of the required thermal inputs were indicated.

Thin‐film CdTe detector for microdosimetric study of radiation dose enhancement at gold‐tissue interface

PubMed Central

Paudel, Nava Raj; Shvydka, Diana

2016-01-01

Presence of interfaces between high and low atomic number (Z) materials, often encountered in diagnostic imaging and radiation therapy, leads to radiation dose perturbation. It is characterized by a very narrow region of sharp dose enhancement at the interface. A rapid falloff of dose enhancement over a very short distance from the interface makes the experimental dosimetry nontrivial. We use an in‐house‐built inexpensive thin‐film Cadmium Telluride (CdTe) photodetector to study this effect at the gold‐tissue interface and verify our experimental results with Monte Carlo (MC) modeling. Three‐micron thick thin‐film CdTe photodetectors were fabricated in our lab. One‐, ten‐ or one hundred‐micron thick gold foils placed in a tissue‐equivalent‐phantom were irradiated with a clinical Ir‐192 high‐dose‐rate (HDR) source and current measured with a CdTe detector in each case was compared with the current measured for all uniform tissue‐equivalent phantom. Percentage signal enhancement (PSE) due to each gold foil was then compared against MC modeled percentage dose enhancement (PDE), obtained from the geometry mimicking the experimental setup. The experimental PSEs due to 1, 10, and 100 μm thick gold foils at the closest measured distance of 12.5 μm from the interface were 42.6±10.8, 137.0±11.9, and 203.0±15.4, respectively. The corresponding MC modeled PDEs were 38.1±1., 164±1, and 249±1, respectively. The experimental and MC modeled values showed a closer agreement at the larger distances from the interface. The dose enhancement in the vicinity of gold‐tissue interface was successfully measured using an in‐house‐built, high‐resolution CdTe‐based photodetector and validated with MC simulations. A close agreement between experimental and the MC modeled results shows that CdTe detector can be utilized for mapping interface dose distribution encountered in the application of ionizing radiation. PACS number(s): 29.40.Wk, 73.50.Pz, 87.53.Jw, 87.55.K‐ PMID:27685139

Mechanical evaluation of a tissue-engineered zone of calcification in a bone–hydrogel osteochondral construct

PubMed Central

Hollenstein, Jérôme; Terrier, Alexandre; Cory, Esther; Chen, Albert C.; Sah, Robert L.; Pioletti, Dominique P.

2016-01-01

The objective of this study was to test the hypothesis that mechanical properties of artificial osteochondral constructs can be improved by a tissue-engineered zone of calcification (teZCC) at the bone–hydrogel interface. Experimental push-off tests were performed on osteochondral constructs with or without a teZCC. In parallel, a numerical model of the osteochondral defect treatment was developed and validated against experimental results. Experimental results showed that the shear strength at the bone–hydrogel interface increased by 100% with the teZCC. Numerical predictions of the osteochondral defect treatment showed that the shear stress at the bone–hydrogel interface was reduced with the teZCC. We conclude that a teZCC in osteochondral constructs can provide two improvements. First, it increases the strength of the bone–hydrogel interface and second, it reduces the stress at this interface. PMID:23706035

Experimental entanglement of 25 individually accessible atomic quantum interfaces.

PubMed

Pu, Yunfei; Wu, Yukai; Jiang, Nan; Chang, Wei; Li, Chang; Zhang, Sheng; Duan, Luming

2018-04-01

A quantum interface links the stationary qubits in a quantum memory with flying photonic qubits in optical transmission channels and constitutes a critical element for the future quantum internet. Entanglement of quantum interfaces is an important step for the realization of quantum networks. Through heralded detection of photon interference, we generate multipartite entanglement between 25 (or 9) individually addressable quantum interfaces in a multiplexed atomic quantum memory array and confirm genuine 22-partite (or 9-partite) entanglement. This experimental entanglement of a record-high number of individually addressable quantum interfaces makes an important step toward the realization of quantum networks, long-distance quantum communication, and multipartite quantum information processing.

Exploring the molecular basis of RNA recognition by the dimeric RNA-binding protein via molecular simulation methods.

PubMed

Chang, Shan; Zhang, Da-Wei; Xu, Lei; Wan, Hua; Hou, Ting-Jun; Kong, Ren

2016-11-01

RNA-binding protein with multiple splicing (RBPMS) is critical for axon guidance, smooth muscle plasticity, and regulation of cancer cell proliferation and migration. Recently, different states of the RNA-recognition motif (RRM) of RBPMS, one in its free form and another in complex with CAC-containing RNA, were determined by X-ray crystallography. In this article, the free RRM domain, its wild type complex and 2 mutant complex systems are studied by molecular dynamics (MD) simulations. Through comparison of free RRM domain and complex systems, it's found that the RNA binding facilitates stabilizing the RNA-binding interface of RRM domain, especially the C-terminal loop. Although both R38Q and T103A/K104A mutations reduce the binding affinity of RRM domain and RNA, the underlining mechanisms are different. Principal component analysis (PCA) and Molecular mechanics Poisson-Boltzmann surface area (MM/PBSA) methods were used to explore the dynamical and recognition mechanisms of RRM domain and RNA. R38Q mutation is positioned on the homodimerization interface and mainly induces the large fluctuations of RRM domains. This mutation does not directly act on the RNA-binding interface, but some interfacial hydrogen bonds are weakened. In contrast, T103A/K104A mutations are located on the RNA-binding interface of RRM domain. These mutations obviously break most of high occupancy hydrogen bonds in the RNA-binding interface. Meanwhile, the key interfacial residues lose their favorable energy contributions upon RNA binding. The ranking of calculated binding energies in 3 complex systems is well consistent with that of experimental binding affinities. These results will be helpful in understanding the RNA recognition mechanisms of RRM domain.

On the Nonequilibrium Interface Kinetics of Rapid Coupled Eutectic Growth

NASA Astrophysics Data System (ADS)

Dong, H.; Chen, Y. Z.; Shan, G. B.; Zhang, Z. R.; Liu, F.

2017-08-01

Nonequilibrium interface kinetics (NEIK) is expected to play an important role in coupled growth of eutectic alloys, when solidification velocity is high and intermetallic compound or topologically complex phases form in the crystallized product. In order to quantitatively evaluate the effect of NEIK on the rapid coupled eutectic growth, in this work, two nonequilibrium interface kinetic effects, i.e., atom attachment and solute trapping at the solid-liquid interface, were incorporated into the analyses of the coupled eutectic growth under the rapid solidification condition. First, a coupled growth model incorporating the preceding two nonequilibrium kinetic effects was derived. On this basis, an expression of kinetic undercooling (Δ T k), which is used to characterize the NEIK, was defined. The calculations based on the as-derived couple growth model show good agreement with the reported experimental results achieved in rapidly solidified eutectic Al-Sm alloys consisting of a solid solution phase ( α-Al) and an intermetallic compound phase (Al11Sm3). In terms of the definition of Δ T k defined in this work, the role of NEIK in the coupled growth of the Al-Sm eutectic system was analyzed. The results show that with increasing the coupled growth velocity, Δ T k increases continuously, and its ratio to the total undercooling reaches 0.32 at the maximum growth velocity for coupled eutectic growth. Parametric analyses on two key alloy parameters that influence Δ T k, i.e., interface kinetic parameter ( μ i ) and solute distribution coefficient ( k e ), indicate that both μ i and k e influence the NEIK significantly and the decrease of either these two parameters enhances the NEIK effect.

Exploring the molecular basis of RNA recognition by the dimeric RNA-binding protein via molecular simulation methods

PubMed Central

Chang, Shan; Zhang, Da-Wei; Xu, Lei; Wan, Hua; Hou, Ting-Jun; Kong, Ren

2016-01-01

ABSTRACT RNA-binding protein with multiple splicing (RBPMS) is critical for axon guidance, smooth muscle plasticity, and regulation of cancer cell proliferation and migration. Recently, different states of the RNA-recognition motif (RRM) of RBPMS, one in its free form and another in complex with CAC-containing RNA, were determined by X-ray crystallography. In this article, the free RRM domain, its wild type complex and 2 mutant complex systems are studied by molecular dynamics (MD) simulations. Through comparison of free RRM domain and complex systems, it's found that the RNA binding facilitates stabilizing the RNA-binding interface of RRM domain, especially the C-terminal loop. Although both R38Q and T103A/K104A mutations reduce the binding affinity of RRM domain and RNA, the underlining mechanisms are different. Principal component analysis (PCA) and Molecular mechanics Poisson-Boltzmann surface area (MM/PBSA) methods were used to explore the dynamical and recognition mechanisms of RRM domain and RNA. R38Q mutation is positioned on the homodimerization interface and mainly induces the large fluctuations of RRM domains. This mutation does not directly act on the RNA-binding interface, but some interfacial hydrogen bonds are weakened. In contrast, T103A/K104A mutations are located on the RNA-binding interface of RRM domain. These mutations obviously break most of high occupancy hydrogen bonds in the RNA-binding interface. Meanwhile, the key interfacial residues lose their favorable energy contributions upon RNA binding. The ranking of calculated binding energies in 3 complex systems is well consistent with that of experimental binding affinities. These results will be helpful in understanding the RNA recognition mechanisms of RRM domain. PMID:27592836

Nanostructural Characteristics and Interfacial Properties of Polymer Fibers in Cement Matrix.

PubMed

Shalchy, Faezeh; Rahbar, Nima

2015-08-12

Concrete is the most used material in the world. It is also one of the most versatile yet complex materials that humans have used for construction. However, an important weakness of concrete (cement-based composites) is its low tensile properties. Therefore, over the past 30 years many studies were focused on improving its tensile properties using a variety of physical and chemical methods. One of the most successful attempts is to use polymer fibers in the structure of concrete to obtain a composite with high tensile strength and ductility. The advantages of polymer fiber as reinforcing material in concrete, both with regard to reducing environmental pollution and the positive effects on a country's economy, are beyond dispute. However, a thorough understanding of the mechanical behavior of fiber-reinforced concrete requires a knowledge of fiber/matrix interfaces at the nanoscale. In this study, a combination of atomistic simulations and experimental techniques has been used to study the nanostructure of fiber/matrix interfaces. A new model for calcium-silicate-hydrate (C-S-H)/fiber interfaces is also proposed on the basis of scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX) analyses. Finally, the adhesion energy between the C-S-H gel and three different polymeric fibers (poly(vinyl alcohol), nylon-6, and polypropylene) were numerically studied at the atomistic level because adhesion plays a key role in the design of ductile fiber-reinforced composites. The mechanisms of adhesion as a function of the nanostructure of fiber/matrix interfaces are further studied and discussed. It is observed that the functional group in the structure of polymer macromolecule affects the adhesion energy primarily by changing the C/S ratio of the C-S-H at the interface and by absorbing additional positive ions in the C-S-H structure.

Protein interactions in 3D: from interface evolution to drug discovery.

PubMed

Winter, Christof; Henschel, Andreas; Tuukkanen, Anne; Schroeder, Michael

2012-09-01

Over the past 10years, much research has been dedicated to the understanding of protein interactions. Large-scale experiments to elucidate the global structure of protein interaction networks have been complemented by detailed studies of protein interaction interfaces. Understanding the evolution of interfaces allows one to identify convergently evolved interfaces which are evolutionary unrelated but share a few key residues and hence have common binding partners. Understanding interaction interfaces and their evolution is an important basis for pharmaceutical applications in drug discovery. Here, we review the algorithms and databases on 3D protein interactions and discuss in detail applications in interface evolution, drug discovery, and interface prediction. Copyright © 2012 Elsevier Inc. All rights reserved.

TMS communications software. Volume 2: Bus interface unit

NASA Technical Reports Server (NTRS)

Gregor, P. J.

1979-01-01

A data bus communication system to support the space shuttle's Trend Monitoring System (TMS) and to provide a basis for evaluation of the bus concept is described. Installation of the system included developing both hardware and software interfaces between the bus and the specific TMS computers and terminals. The software written for the microprocessor-based bus interface units is described. The software implements both the general bus communications protocol and also the specific interface protocols for the TMS computers and terminals.

Network interface unit design options performance analysis

NASA Technical Reports Server (NTRS)

Miller, Frank W.

1991-01-01

An analysis is presented of three design options for the Space Station Freedom (SSF) onboard Data Management System (DMS) Network Interface Unit (NIU). The NIU provides the interface from the Fiber Distributed Data Interface (FDDI) local area network (LAN) to the DMS processing elements. The FDDI LAN provides the primary means for command and control and low and medium rate telemetry data transfers on board the SSF. The results of this analysis provide the basis for the implementation of the NIU.

Characterization of Defects in Scaled Mis Dielectrics with Variable Frequency Charge Pumping

NASA Astrophysics Data System (ADS)

Paulsen, Ronald Eugene

1995-01-01

Historically, the interface trap has been extensively investigated to determine the effects on device performance. Recently, much attention has been paid to trapping in near-interface oxide traps. Performance of high precision analog circuitry is affected by charge trapping in near-interface oxide traps which produces hysteresis, charge redistribution errors, and dielectric relaxation effects. In addition, the performance of low power digital circuitry, with reduced noise margins, may be drastically affected by the threshold voltage shifts associated with charge trapping in near -interface oxide traps. Since near-interface oxide traps may substantially alter the performance of devices, complete characterization of these defects is necessary. In this dissertation a new characterization technique, variable frequency charge pumping, is introduced which allows charge trapped at the interface to be distinguished from the charge trapped within the oxide. The new experimental technique is an extension of the charge pumping technique to low frequencies such that tunneling may occur from interface traps to near-interface oxide traps. A generalized charge pumping model, based on Shockley-Read-Hall statistics and trap-to-trap tunneling theory, has been developed which allows a more complete characterization of near-interface oxide traps. A pair of coupled differential equations governing the rate of change of occupied interface and near-interface oxide traps have been developed. Due to the experimental conditions in the charge pumping technique the equations may be decoupled, leading to an equation governing the rate of change of occupied interface traps and an equation governing the rate of change of occcupied near-interface oxide traps. Solving the interface trap equation and applying non-steady state charge dynamics leads to an interface trap component of the charge pumping current. In addition, solution to the near-interface oxide trap equation leads to an additional oxide trap component to the charge pumping current. Numerical simulations have been performed to support the analytical development of the generalized charge pumping model. By varying the frequency of the applied charge pumping waveform and monitoring the charge recombined per cycle, the contributions from interface traps may be separated from the contributions of the near-interface oxide traps. The generalized charge pumping model allows characterization of the density and spatial distribution of near-interface oxide traps from this variable frequency charge pumping technique. Characterization of interface and near-interface oxide trap generation has been performed on devices exposed to ionizing radiation, hot electron injection, and high -field/Fowler-Nordheim stressing. Finally, using SONOS nonvolatile memory devices, a framework has been established for experimentally determining not only the spatial distribution of near-interface oxide traps, but also the energetic distribution. An experimental approach, based on tri-level charge pumping, is discussed which allows the energetic distribution of near-interface oxide traps to be determined.

GEOPHYSICAL CHARACTERIZATION, REDOX ZONATION, AND CONTAMINANT DISTRIBUTION AT A GROUNDWATER/SURFACE WATER INTERFACE

EPA Science Inventory

Three transects along a groundwater/surface water interface were characterized for spatial distributions of chlorinated aliphatic hydrocarbons and geochemical conditions to evaluate the natural bioremediation potential of this environmental system. Partly on the basis of ground p...

Numerical and Experimental Investigation of Stratified Gas-Liquid Two-Phase Flow in Horizontal Circular Pipes

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

Faccini, J.L.H.; Sampaio, P.A.B. de; Su, J.

This paper reports numerical and experimental investigation of stratified gas-liquid two-phase flow in horizontal circular pipes. The Reynolds averaged Navier Stokes equations (RANS) with the k-{omega} model for a fully developed stratified gas-liquid two-phase flow are solved by using the finite element method. A smooth and horizontal interface surface is assumed without considering the interfacial waves. The continuity of the shear stress across the interface is enforced with the continuity of the velocity being automatically satisfied by the variational formulation. For each given interface position and longitudinal pressure gradient, an inner iteration loop runs to solve the nonlinear equations. Themore » Newton-Raphson scheme is used to solve the transcendental equations by an outer iteration to determine the interface position and pressure gradient for a given pair of volumetric flow rates. The interface position in a 51.2 mm ID circular pipe was measured experimentally by the ultrasonic pulse-echo technique. The numerical results were also compared with experimental results in a 21 mm ID circular pipe reported by Masala [1]. The good agreement between the numerical and experimental results indicates that the k-{omega} model can be applied for the numerical simulation of stratified gas-liquid two-phase flow. (authors)« less

Bimodal wireless sensing with dual-channel wide bandgap heterostructure varactors

NASA Astrophysics Data System (ADS)

Deen, David A.; Osinsky, Andrei; Miller, Ross

2014-03-01

A capacitive wireless sensing scheme is developed that utilizes an AlN/GaN-based dual-channel varactor. The dual-channel heterostructure affords two capacitance plateaus within the capacitance-voltage (CV) characteristic, owing to the two parallel two-dimensional electron gases (2DEGs) located at respective AlN/GaN interfaces. The capacitance plateaus are leveraged for the definition of two resonant states of the sensor when implemented in an inductively-coupled resonant LRC network for wireless readout. The physics-based CV model is compared with published experimental results, which serve as a basis for the sensor embodiment. The bimodal resonant sensor is befitting for a broad application space ranging from gas, electrostatic, and piezoelectric sensors to biological and chemical detection.

Hydroelastic vibration analysis of partially liquid-filled shells using a series representation of the liquid

NASA Technical Reports Server (NTRS)

Housner, J. M.; Herr, R. W.; Sewall, J. L.

1980-01-01

A series representation of the oscillatory behavior of incompressible nonviscous liquids contained in partially filled elastic tanks is presented. Each term is selected on the basis of hydroelastic vibrations in circular cylindrical tanks. Using a complementary energy principle, the superposition of terms is made to approximately satisfy the liquid-tank interface compatibility. This analysis is applied to the gravity sloshing and hydroelastic vibrations of liquids in hemispherical tanks and in a typical elastic aerospace propellant tank. With only a few series terms retained, the results correlate very well with existing analytical results, NASTRAN-generated analytical results, and experimental test results. Hence, although each term is based on a cylindrical tank geometry, the superposition can be successfully applied to noncylindrical tanks.

The electrical behavior of GaAs-insulator interfaces - A discrete energy interface state model

NASA Technical Reports Server (NTRS)

Kazior, T. E.; Lagowski, J.; Gatos, H. C.

1983-01-01

The relationship between the electrical behavior of GaAs Metal Insulator Semiconductor (MIS) structures and the high density discrete energy interface states (0.7 and 0.9 eV below the conduction band) was investigated utilizing photo- and thermal emission from the interface states in conjunction with capacitance measurements. It was found that all essential features of the anomalous behavior of GaAs MIS structures, such as the frequency dispersion and the C-V hysteresis, can be explained on the basis of nonequilibrium charging and discharging of the high density discrete energy interface states.

Experimental entanglement of 25 individually accessible atomic quantum interfaces

PubMed Central

Jiang, Nan; Chang, Wei; Li, Chang; Zhang, Sheng

2018-01-01

A quantum interface links the stationary qubits in a quantum memory with flying photonic qubits in optical transmission channels and constitutes a critical element for the future quantum internet. Entanglement of quantum interfaces is an important step for the realization of quantum networks. Through heralded detection of photon interference, we generate multipartite entanglement between 25 (or 9) individually addressable quantum interfaces in a multiplexed atomic quantum memory array and confirm genuine 22-partite (or 9-partite) entanglement. This experimental entanglement of a record-high number of individually addressable quantum interfaces makes an important step toward the realization of quantum networks, long-distance quantum communication, and multipartite quantum information processing. PMID:29725621

Hydrodynamic fingering instability induced by a precipitation reaction

NASA Astrophysics Data System (ADS)

De Wit, Anne; Nagatsu, Yuichiro

2014-05-01

We experimentally demonstrate that a precipitation reaction at the miscible interface between two reactive solutions can trigger a hydrodynamic instability due to the build-up of a locally adverse mobility gradient related to a decrease in permeability. The precipitate results from an A+B → C type of reaction when a solution containing one of the reactant is injected into a solution of the other reactant in a porous medium or a Hele-Shaw cell. Finger-like precipitation patterns are observed upon displacement, the properties of which depend on whether A displaces B or vice-versa. A mathematical modeling of the underlying mobility profile in the cell reconstructed on the basis of one-dimensional reaction-diffusion concentration profiles confirms that the instability originates from a local decrease in mobility driven by the precipitation. Nonlinear simulations of the related reaction-diffusion-convection model reproduce the properties of the instability observed experimentally. In particular, the simulations suggest that differences in diffusivity between A and B may contribute to the asymmetric characteristics of the fingering precipitation patterns.

Experimental metrology to obtain thermal phonon transmission coefficients at solid interfaces

NASA Astrophysics Data System (ADS)

Hua, Chengyun; Chen, Xiangwen; Ravichandran, Navaneetha K.; Minnich, Austin J.

2017-05-01

Interfaces play an essential role in phonon-mediated heat conduction in solids, impacting applications ranging from thermoelectric waste heat recovery to heat dissipation in electronics. From the microscopic perspective, interfacial phonon transport is described by transmission coefficients that link vibrational modes in the materials composing the interface. However, direct experimental determination of these coefficients is challenging because most experiments provide a mode-averaged interface conductance that obscures the microscopic detail. Here, we report a metrology to extract thermal phonon transmission coefficients at solid interfaces using ab initio phonon transport modeling and a thermal characterization technique, time-domain thermoreflectance. In combination with transmission electron microscopy characterization of the interface, our approach allows us to link the atomic structure of an interface to the spectral content of the heat crossing it. Our work provides a useful perspective on the microscopic processes governing interfacial heat conduction.

Experimental metrology to obtain thermal phonon transmission coefficients at solid interfaces

DOE PAGES

Hua, Chengyun; Chen, Xiangwen; Ravichandran, Navaneetha K.; ...

2017-05-17

Interfaces play an essential role in phonon-mediated heat conduction in solids, impacting applications ranging from thermoelectric waste heat recovery to heat dissipation in electronics. From the microscopic perspective, interfacial phonon transport is described by transmission coefficients that link vibrational modes in the materials composing the interface. But, direct experimental determination of these coefficients is challenging because most experiments provide a mode-averaged interface conductance that obscures the microscopic detail. Here, we report a metrology to extract thermal phonon transmission coefficients at solid interfaces using ab initio phonon transport modeling and a thermal characterization technique, time-domain thermoreflectance. In combination with transmission electronmore » microscopy characterization of the interface, our approach allows us to link the atomic structure of an interface to the spectral content of the heat crossing it. This work provides a useful perspective on the microscopic processes governing interfacial heat conduction.« less

Close contacts at the interface: Experimental-computational synergies for solving complexity problems

NASA Astrophysics Data System (ADS)

Torras, Juan; Zanuy, David; Bertran, Oscar; Alemán, Carlos; Puiggalí, Jordi; Turón, Pau; Revilla-López, Guillem

2018-02-01

The study of material science has been long devoted to the disentanglement of bulk structures which mainly entails finding the inner structure of materials. That structure is accountable for a major portion of materials' properties. Yet, as our knowledge of these "backbones" enlarged so did the interest for the materials' boundaries properties which means the properties at the frontier with the surrounding environment that is called interface. The interface is thus to be understood as the sum of the material's surface plus the surrounding environment be it in solid, liquid or gas phase. The study of phenomena at this interface requires both the use of experimental and theoretical techniques and, above all, a wise combination of them in order to shed light over the most intimate details at atomic, molecular and mesostructure levels. Here, we report several cases to be used as proof of concept of the results achieved when studying interface phenomena by combining a myriad of experimental and theoretical tools to overcome the usual limitation regardind atomic detail, size and time scales and systems of complex composition. Real world examples of the combined experimental-theoretical work and new tools, software, is offered to the readers.

PHENOPSIS DB: an Information System for Arabidopsis thaliana phenotypic data in an environmental context

PubMed Central

2011-01-01

Background Renewed interest in plant × environment interactions has risen in the post-genomic era. In this context, high-throughput phenotyping platforms have been developed to create reproducible environmental scenarios in which the phenotypic responses of multiple genotypes can be analysed in a reproducible way. These platforms benefit hugely from the development of suitable databases for storage, sharing and analysis of the large amount of data collected. In the model plant Arabidopsis thaliana, most databases available to the scientific community contain data related to genetic and molecular biology and are characterised by an inadequacy in the description of plant developmental stages and experimental metadata such as environmental conditions. Our goal was to develop a comprehensive information system for sharing of the data collected in PHENOPSIS, an automated platform for Arabidopsis thaliana phenotyping, with the scientific community. Description PHENOPSIS DB is a publicly available (URL: http://bioweb.supagro.inra.fr/phenopsis/) information system developed for storage, browsing and sharing of online data generated by the PHENOPSIS platform and offline data collected by experimenters and experimental metadata. It provides modules coupled to a Web interface for (i) the visualisation of environmental data of an experiment, (ii) the visualisation and statistical analysis of phenotypic data, and (iii) the analysis of Arabidopsis thaliana plant images. Conclusions Firstly, data stored in the PHENOPSIS DB are of interest to the Arabidopsis thaliana community, particularly in allowing phenotypic meta-analyses directly linked to environmental conditions on which publications are still scarce. Secondly, data or image analysis modules can be downloaded from the Web interface for direct usage or as the basis for modifications according to new requirements. Finally, the structure of PHENOPSIS DB provides a useful template for the development of other similar databases related to genotype × environment interactions. PMID:21554668

Experimental setup for evaluating an adaptive user interface for teleoperation control

NASA Astrophysics Data System (ADS)

Wijayasinghe, Indika B.; Peetha, Srikanth; Abubakar, Shamsudeen; Saadatzi, Mohammad Nasser; Cremer, Sven; Popa, Dan O.

2017-05-01

A vital part of human interactions with a machine is the control interface, which single-handedly could define the user satisfaction and the efficiency of performing a task. This paper elaborates the implementation of an experimental setup to study an adaptive algorithm that can help the user better tele-operate the robot. The formulation of the adaptive interface and associate learning algorithms are general enough to apply when the mapping between the user controls and the robot actuators is complex and/or ambiguous. The method uses a genetic algorithm to find the optimal parameters that produce the input-output mapping for teleoperation control. In this paper, we describe the experimental setup and associated results that was used to validate the adaptive interface to a differential drive robot from two different input devices; a joystick, and a Myo gesture control armband. Results show that after the learning phase, the interface converges to an intuitive mapping that can help even inexperienced users drive the system to a goal location.

Potential Barrier Lowering and Electrical Transport at the LaAlO3/SrTiO3 Interface

NASA Astrophysics Data System (ADS)

Suzuki, Yuri

2009-03-01

Interfacial phenomena form the basis for modern-day devices and continue to be an area of fundamental interest in condensed matter research. Advances in oxide thin film fabrication have enabled the synthesis of atomically precise oxide interfaces and hence have allowed for controlled investigation of interfacial phenomena in these materials. With the rich variety of functionalities exhibited by transition-metal oxides, a wide array of novel properties may be achieved at oxide heterointerfaces. An exemplary study is the discovery of metallicity at the interface of two band insulators, LaAlO3 (LAO) and SrTiO3 (STO), which has stimulated many subsequent experimental as well as theoretical studies. However, there is still intense debate on the origin of metallicity, specifically whether it arises from electronic reconstruction or oxygen vacancies. Using a combination of vertical transport measurements across and lateral transport measurements along the LAO/STO heterointerface, we demonstrate that significant potential barrier lowering and band bending are the cause of interfacial metallicity. Transport measurements across the heterointerface, indicate that barrier lowering and enhanced band bending extends over 2.5 nm into LAO as well as STO. We explain the origins of high-temperature carrier saturation, lower carrier concentration, and higher mobility in the sample with the thinnest LAO film on a STO substrate. Lateral transport results suggest that parasitic interface scattering centers limit the low-temperature lateral electron mobility of the metallic channel. [4pt] *In collaboration with Franklin Wong, Miaofang Chi, Rajesh Chopdekar, Brittany Nelson-Cheeseman and Nigel Browning.

Development of wireless, chipless neural stimulator by using one-port surface acoustic wave delay line and diode-capacitor interface

NASA Astrophysics Data System (ADS)

Kim, Jisung; Kim, Saehan; Lee, Keekeun

2017-06-01

For the first time, a wireless and chipless neuron stimulator was developed by utilizing a surface acoustic wave (SAW) delay line, a diode-capacitor interface, a sharp metal tip, and antennas for the stimulation of neurons in the brain. The SAW delay line supersedes presently existing complex wireless transmission systems composed of a few thousands of transistors, enabling the fabrication of wireless and chipless transceiver systems. The diode-capacitor interface was used to convert AC signals to DC signals and induce stimulus pulses at a sharp metal probe. A 400 MHz RF energy was wirelessly radiated from antennas and then stimulation pulses were observed at a sharp gold probe. A ˜5 m reading distance was obtained using a 1 mW power from a network analyzer. The cycles of electromagnetic (EM) radiation from an antenna were controlled by shielding the antenna with an EM absorber. Stimulation pulses with different amplitudes and durations were successfully observed at the probe. The obtained pulses were ˜0.08 mV in amplitude and 3-10 Hz in frequency. Coupling-of-mode (COM) and SPICE modeling simulations were also used to determine the optimal structural parameters for SAW delay line and the values of passive elements. On the basis of the extracted parameters, the entire system was experimentally implemented and characterized.

Analysis of different image-based biofeedback models for improving cycling performances

NASA Astrophysics Data System (ADS)

Bibbo, D.; Conforto, S.; Bernabucci, I.; Carli, M.; Schmid, M.; D'Alessio, T.

2012-03-01

Sport practice can take advantage from the quantitative assessment of task execution, which is strictly connected to the implementation of optimized training procedures. To this aim, it is interesting to explore the effectiveness of biofeedback training techniques. This implies a complete chain for information extraction containing instrumented devices, processing algorithms and graphical user interfaces (GUIs) to extract valuable information (i.e. kinematics, dynamics, and electrophysiology) to be presented in real-time to the athlete. In cycling, performance indexes displayed in a simple and perceivable way can help the cyclist optimize the pedaling. To this purpose, in this study four different GUIs have been designed and used in order to understand if and how a graphical biofeedback can influence the cycling performance. In particular, information related to the mechanical efficiency of pedaling is represented in each of the designed interfaces and then displayed to the user. This index is real-time calculated on the basis of the force signals exerted on the pedals during cycling. Instrumented pedals for bikes, already designed and implemented in our laboratory, have been used to measure those force components. A group of subjects underwent an experimental protocol and pedaled with (the interfaces have been used in a randomized order) and without graphical biofeedback. Preliminary results show how the effective perception of the biofeedback influences the motor performance.

Counting ions and other nucleophiles at surfaces by chemical trapping.

PubMed

Cuccovia, Iolanda Midea; da Silva Lima, Filipe; Chaimovich, Hernan

2017-10-01

The interfaces of membranes and other aggregates are determined by the polarity, electrical charge, molecular volume, degrees of motional freedom and packing density of the head groups of the amphiphiles. These properties also determine the type of bound ion (ion selectivity) and its local density, i.e. concentration defined by choosing an appropriate volume element at the aggregate interface. Bulk and local ion concentrations can differ by orders of magnitude. The relationships between ion (or other compound) concentrations in the bulk solvent and in the interface are complex but, in some cases, well established. As the local ion concentration, rather than that in the bulk, controls a variety of properties of membranes, micelles, vesicles and other objects of theoretical and applied interests, measurement of local (interfacial, bound) ion concentrations is of relevance for understanding and characterizing such aggregates. Many experimental methods for estimating ion distributions between the bulk solution and the interface provide indirect estimates because they are based on concentration-dependent properties, rather than concentration measurements. Dediazoniation, i.e. the loss of N 2 , of a substituted diazophenyl derivative provides a tool for determining the number of nucleophiles (including neutral or negatively charged ions) surrounding the diazophenyl derivative prior to the dediazoniation event. This reaction, defined as chemical trapping, and the appropriate reference points obtained in bulk solution allow direct measurements of local concentrations of a variety of nucleophiles at the surface of membranes and other aggregates. Here we review our contributions of our research group to the use, and understanding, of this method and applications of chemical trapping to the description of local concentrations of ions and other nucleophiles in micelles, reverse micelles, vesicles and solvent mixtures. Among other results, we have shown that interfacial water determines micellar shape, zwitterionic vesicle-forming amphiphiles display ion selectivity and urea does not accumulate at micellar interfaces. We have also shown that reaction products can be predicted from the composition of the initial state, even in non-ideal solvent mixtures, supporting the usefulness of chemical trapping as a method to determine local concentrations. In addition, we have analysed the mechanism of dediazoniation, both on theoretical and experimental basis, and concluded that the formation of a free phenyl cation is not a necessary part of the reaction pathway.

Vibrational spectroscopy of water at interfaces

PubMed Central

Skinner, J. L.; Pieniazek, P. A.; Gruenbaum, S. M.

2011-01-01

Conspectus Recent experimental advances in vibrational spectroscopy, such as ultrafast pulses and heterodyne detection, have made it possible to probe the structure and dynamics of bulk and interfacial water in unprecedented detail. We consider three aqueous interfaces: the water liquid/vapor interface, the interface between water and the surfactant headgroups of reverse micelles, and the interface between water and the lipid headgroups of aligned multi-bilayers. In the first case, sum-frequency spectroscopy is used to probe the interface, while in the second and third cases, the confined water pools are sufficiently small that techniques of bulk spectroscopy such as FTIR, pump-probe, 2DIR, etc. can be used to probe the interfacial water. In this review, we discuss our attempts to model these three systems and interpret the existing experiments. In particular, for the water liquid/vapor interface we find that three-body interactions are essential for reproducing the experimental sum-frequency spectrum, and presumably for the structure of the interface as well. The observed spectrum is interpreted as arising from overlapping and cancelling positive and negative contributions from molecules in different hydrogen-bonding environments. For the reverse micelles, our theoretical models confirm that the experimentally observed blue shift of the water OD stretch (for dilute HOD in H2O) arises from weaker hydrogen bonding to sulfonate oxygens. We interpret the observed slow-down in water rotational dynamics as arising from curvature-induced frustration. For the water confined between lipid bilayers, our theoretical models confirm that the experimentally observed red shift of the water OD stretch arises from stronger hydrogen bonding to phosphate oxygens. We develop a model for heterogeneous vibrational lifetime distributions, and implement the model to calculate isotropic and anisotropic pump-probe decays, and compare with experiment. PMID:22032305

TH-CD-201-01: BEST IN PHYSICS (THERAPY): Assessment of Thin-Film CdTe as An Effective Detector for Microdosimety at Gold-Tissue Interface

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

Paudel, N; University of Toledo Medical Center, Toledo, OH; Shvydka, D

Purpose: Presence of interfaces between high and low atomic number materials, often encountered in diagnostic imaging and radiation therapy, leads to radiation dose perturbation. This phenomenon is characterized by a very narrow region of sharp dose enhancement at the interface. The rapid fall-off of the dose enhancement over a very short distance from the interface makes the experimental dosimetry nontrivial. We use an in-house-built inexpensive thin-film Cadmium Telluride (CdTe) photodetector to study this effect at the gold-tissue interface and verify our experimental results with Monte Carlo (MC) modeling. Methods: Three micron thick CdTe photodetectors were fabricated in our lab. One,more » ten or one hundred micron thick gold foils placed in a tissue-equivalent-phantom were irradiated with a clinical Ir-192 high dose rate source and current measured with a CdTe detector in each case was compared against the current measured for all uniform tissue-equivalent phantom. Percentage signal enhancement (PSE) due to each gold foil was compared against MC modeled percentage dose enhancement (PDE), obtained from the geometry mimicking the experimental setup. Results: The experiment based PSEs due to 1, 10, and 100 micron thick gold foils at the closest measured distance of measurement (12.5 micron) from the interface were 42.6 ± 10.8, 137.0 ± 11.9 and 203.0 ± 15.4 respectively. The corresponding MC modeled PDEs were 38.1 ± 1, 164 ± 1 and 249 ± 1 respectively. The experimental and MC modeled values showed a closer agreement at the larger distances from the interface. Conclusion: The dose enhancement near the gold-tissue interface was measured using an in-house-built high-resolution CdTe-based photodetector and validated with MC simulations. A close agreement of the experimental results with the corresponding MC modeled results shows that CdTe detector can be utilized for mapping interface dose distribution encountered in the application of ionizing radiation.« less

Space Station Furnace Facility Core. Requirements definition and conceptual design study. Volume 2: Technical report. Appendix 6: Technical summary reports

NASA Technical Reports Server (NTRS)

1992-01-01

The Space Station Furnace Facility (SSFF) is a modular facility for materials research in the microgravity environment of the Space Station Freedom (SSF). The SSFF is designed for crystal growth and solidification research in the fields of electronic and photonic materials, metals and alloys, and glasses and ceramics and will allow for experimental determination of the role of gravitational forces in the solidification process. The facility will provide a capability for basic scientific research and will evaluate the commercial viability of low-gravity processing of selected technologically important materials. The facility is designed to support a complement of furnace modules as outlined in the Science Capabilities Requirements Document (SCRD). The SSFF is a three rack facility that provides the functions, interfaces, and equipment necessary for the processing of the furnaces and consists of two main parts: the SSFF Core Rack and the two Experiment Racks. The facility is designed to accommodate two experimenter-provided furnace modules housed within the two experiment racks, and is designed to operate these two furnace modules simultaneously. The SCRD specifies a wide range of furnace requirements and serves as the basis for the SSFF conceptual design. SSFF will support automated processing during the man-tended operations and is also designed for crew interface during the permanently manned configuration. The facility is modular in design and facilitates changes as required, so the SSFF is adept to modifications, maintenance, reconfiguration, and technology evolution.

Understanding the physical basis of the salt dependence of the electrostatic binding free energy of mutated charged ligand-nucleic acid complexes.

PubMed

Harris, Robert C; Bredenberg, Johan H; Silalahi, Alexander R J; Boschitsch, Alexander H; Fenley, Marcia O

2011-06-01

The predictions of the derivative of the electrostatic binding free energy of a biomolecular complex, ΔG(el), with respect to the logarithm of the 1:1 salt concentration, d(ΔG(el))/d(ln[NaCl]), SK, by the Poisson-Boltzmann equation, PBE, are very similar to those of the simpler Debye-Hückel equation, DHE, because the terms in the PBE's predictions of SK that depend on the details of the dielectric interface are small compared to the contributions from long-range electrostatic interactions. These facts allow one to obtain predictions of SK using a simplified charge model along with the DHE that are highly correlated with both the PBE and experimental binding data. The DHE-based model developed here, which was derived from the generalized Born model, explains the lack of correlation between SK and ΔG(el) in the presence of a dielectric discontinuity, which conflicts with the popular use of this supposed correlation to parse experimental binding free energies into electrostatic and nonelectrostatic components. Moreover, the DHE model also provides a clear justification for the correlations between SK and various empirical quantities, like the number of ion pairs, the ligand charge on the interface, the Coulomb binding free energy, and the product of the charges on the complex's components, but these correlations are weak, questioning their usefulness. Copyright © 2011 Elsevier B.V. All rights reserved.

VIPER: a visualisation tool for exploring inheritance inconsistencies in genotyped pedigrees

PubMed Central

2012-01-01

Background Pedigree genotype datasets are used for analysing genetic inheritance and to map genetic markers and traits. Such datasets consist of hundreds of related animals genotyped for thousands of genetic markers and invariably contain multiple errors in both the pedigree structure and in the associated individual genotype data. These errors manifest as apparent inheritance inconsistencies in the pedigree, and invalidate analyses of marker inheritance patterns across the dataset. Cleaning raw datasets of bad data points (incorrect pedigree relationships, unreliable marker assays, suspect samples, bad genotype results etc.) requires expert exploration of the patterns of exposed inconsistencies in the context of the inheritance pedigree. In order to assist this process we are developing VIPER (Visual Pedigree Explorer), a software tool that integrates an inheritance-checking algorithm with a novel space-efficient pedigree visualisation, so that reported inheritance inconsistencies are overlaid on an interactive, navigable representation of the pedigree structure. Methods and results This paper describes an evaluation of how VIPER displays the different scales and types of dataset that occur experimentally, with a description of how VIPER's display interface and functionality meet the challenges presented by such data. We examine a range of possible error types found in real and simulated pedigree genotype datasets, demonstrating how these errors are exposed and explored using the VIPER interface and we evaluate the utility and usability of the interface to the domain expert. Evaluation was performed as a two stage process with the assistance of domain experts (geneticists). The initial evaluation drove the iterative implementation of further features in the software prototype, as required by the users, prior to a final functional evaluation of the pedigree display for exploring the various error types, data scales and structures. Conclusions The VIPER display was shown to effectively expose the range of errors found in experimental genotyped pedigrees, allowing users to explore the underlying causes of reported inheritance inconsistencies. This interface will provide the basis for a full data cleaning tool that will allow the user to remove isolated bad data points, and reversibly test the effect of removing suspect genotypes and pedigree relationships. PMID:22607476

Investigation on Bond-Slip Behavior of Z-Pin Interfaces in X-Cor® Sandwich Structures Using Z-Pin Pull-Out Test

NASA Astrophysics Data System (ADS)

Shan, Hangying; Xiao, Jun; Chu, Qiyi

2018-05-01

The Z-Pin interfacial bond properties play an important role in the structural performance of X-Cor® sandwich structures. This paper presents an experimental investigation on bond-slip behavior of Z-Pin interfaces using Z-Pin pull-out test. Based on the experimental data the whole Z-Pin pull-out process consists of three stages: initial bonding, debonding and frictional sliding. Comparative experimental study on the influence of design parameters on bond-slip behavior of Z-Pin interfaces has also been performed. Numerical analyses were conducted with the ABAQUS finite element (FE) program to simulate the Z-Pins bond-slip response of the pull-out test. The Z-Pins interfacial bond-slip behavior was implemented using nonlinear spring elements characterized with the constitutive relation from experimental results. Numerical results were validated by comparison with experimental data, and reasonably good agreement was achieved between experimental and analytical pull-out force-slip curves.

Experimental study of sound propagation in a flexible duct

PubMed

Huang; Choy; So; Chong

2000-08-01

Propagation of sound in a flexible duct is investigated both theoretically and experimentally. Strong coupling of sound and flexural waves on the duct wall is found when the wall-to-air mass ratio is of the order of unity. The axial phase speed of sound approaches the in vacuo speed of flexural waves (subsonic in this case) at low frequencies. However, a speed higher than the isentropic sound speed in free space (340 m/s) is found beyond a critical frequency which is a function of the mass ratio. Experiments using a duct with a finite section of tensioned membrane are compared with the propagating modes pertaining to the infinite membrane model. Satisfactory quantitative agreement is obtained and the measured phase speed ranges from 8.3 to 1348 m/s. In the moderate frequency range, the theory predicts high spatial damping rate for the subsonic waves, which is consistent with the experimental observation that subsonic waves become increasingly undetectable as the frequency increases. Substantial sound reflection is observed at the interface between the rigid and the flexible segments of the duct without cross-section discontinuity, which, together with the high spatial damping, could form a basis for passive control of low-frequency duct noise.

Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C–H Region of DMSO as a Case Study

DOE PAGES

Fischer, Sean A.; Ueltschi, Tyler W.; El-Khoury, Patrick Z.; ...

2015-07-29

Carbon-hydrogen (C-H) vibration modes serve as key probes in the chemical identification of hydrocarbons and in vibrational sum-frequency generation (SFG) spectroscopy of hydrocarbons at the liquid/gas interface. Their assignments pose a challenge from a theoretical viewpoint. Here in this work, we present a detailed study of the C-H stretching region of dimethyl sulfoxide (DMSO) using a new Gaussian basis set- based ab initio molecular dynamics (AIMD) module that we have implemented in the NWChem computational chemistry program. By combining AIMD simulations and static normal mode analysis, we interpret experimental infrared and Raman spectra and explore the role of anharmonic effectsmore » in this system. Our anharmonic normal mode analysis of the in-phase and out-of-phase symmetric C-H stretching modes challenges the previous experimental assignment of the shoulder in the symmetric C-H stretching peak as an overtone or Fermi resonance. In addition, our AIMD simulations also show significant broadening of the in-phase symmetric C-H stretching resonance, which suggests that the experimentally observed shoulder is due to thermal broadening of the symmetric stretching resonance.« less

Interface Mediated Nucleation and Growth of Dislocations in fcc-bcc nanocomposite

NASA Astrophysics Data System (ADS)

Zhang, Ruifeng; Wang, Jian; Beyerlein, Irene J.; Germann, Timothy C.

2011-03-01

Heterophase interfaces play a crucial role in determining material strength for nanostructured materials because they can block, store, nucleate, and remove dislocations, the essential defects that enable plastic deformation. Much recent theoretical and experimental effort has been conducted on nanostructured Cu-Nb multilayer composites that exhibited extraordinarily high strength, ductility, and resistance to radiation and mechanical loading. In decreasing layer thicknesses to the order of a few tens of nanometers or less, the deformation behavior of such composites is mainly controlled by the Cu/Nb interface. In this work, we focus on the cooperative mechanisms of dislocation nucleation and growth from Cu/Nb interfaces, and their interaction with interface. Two types of experimentally observed Cu/Nb incoherent interfaces are comparatively studied. We found that the preferred dislocation nucleation sites are closely related to atomic interface structure, which in turn, depend on the orientation relationship. The activation stress and energies for an isolated Shockley dislocation loop of different sizes from specific interface sites depend strongly on dislocation size, atomic interface pattern, and loading conditions. Such findings provide important insight into the mechanical response of a wide range of fcc/bcc metallic nanocomposites via atomic interface design.

Experimentally quantifying anion polarizability at the air/water interface.

PubMed

Tong, Yujin; Zhang, Igor Ying; Campen, R Kramer

2018-04-03

The adsorption of large, polarizable anions from aqueous solution on the air/water interface controls important atmospheric chemistry and is thought to resemble anion adsorption at hydrophobic interfaces generally. While the favourability of adsorption of such ions is clear, quantifying adsorption thermodynamics has proven challenging because it requires accurate description of the structure of the anion and its solvation shell at the interface. In principle anion polarizability offers a structural window, but to the best of our knowledge there has so far been no experimental technique that allowed its characterization with interfacial specificity. Here, we meet this challenge using interface-specific vibrational spectroscopy of Cl-O vibrations of the [Formula: see text] anion at the air/water interface and report that the interface breaks the symmetry of the anion, the anisotropy of [Formula: see text]'s polarizability tensor is more than two times larger than in bulk water and concentration dependent, and concentration-dependent polarizability changes are consistent with correlated changes in surface tension.

The mechanism of charge carrier generation at the TiO2—n-Si heterojunction activated by gold nanoparticles

NASA Astrophysics Data System (ADS)

Mishin, Maxim V.; Vorobyev, Alexander A.; Kondrateva, Anastasia S.; Koroleva, Ekaterina Y.; Karaseov, Platon A.; Bespalova, Polina G.; Shakhmin, Alexander L.; Glukhovskoy, Anatoly V.; Wurz, Marc Christopher; Filimonov, Alexey V.

2018-07-01

Photo-induced current through nanocomposite heterojunction structures consisting of a TiO2 coating activated with embedded gold nanoparticles on top of Si, SiO2, and columnar structured SiO2 is studied. The highest photo-activity in the visible part of the spectrum is found in the composite containing pillar-like silicon dioxide nanostructures. Experimental results were qualitatively explained on the basis of Franz-Keldysh effect taking into account the effects of electrical inhomogeneities appearing at charged nanoparticles. It is established that processes at the interface between silicon and noble metal nanoparticles play an important role in charge carrier photo-generation which opens a new opportunity to tune the photo-response of a nanocomposite via changing heterostructure topology.

A programmable closed-loop recording and stimulating wireless system for behaving small laboratory animals

PubMed Central

Angotzi, Gian Nicola; Boi, Fabio; Zordan, Stefano; Bonfanti, Andrea; Vato, Alessandro

2014-01-01

A portable 16-channels microcontroller-based wireless system for a bi-directional interaction with the central nervous system is presented in this work. The device is designed to be used with freely behaving small laboratory animals and allows recording of spontaneous and evoked neural activity wirelessly transmitted and stored on a personal computer. Biphasic current stimuli with programmable duration, frequency and amplitude may be triggered in real-time on the basis of the recorded neural activity as well as by the animal behavior within a specifically designed experimental setup. An intuitive graphical user interface was developed to configure and to monitor the whole system. The system was successfully tested through bench tests and in vivo measurements on behaving rats chronically implanted with multi-channels microwire arrays. PMID:25096831

The art and science of straight lines in radiology.

PubMed

Day, Cynthia M; Sodickson, Aaron

2011-02-01

The purpose of this article is to review the physical basis for straight radiographic lines, identify the possible components that may form a straight line interface in the body, provide illustrative examples across multiple organ systems and modalities, and explore how the detection of these interfaces can support specific diagnoses. Detection of a straight line interface can help the radiologist recognize otherwise difficult or subtle pathologic processes, and identification of its components can provide valuable clues to diagnosis.

Why we should care about soft tissue interfaces when applying ultrasonic diathermy: an experimental and computer simulation study.

PubMed

Omena, Thaís Pionório; Fontes-Pereira, Aldo José; Costa, Rejane Medeiros; Simões, Ricardo Jorge; von Krüger, Marco Antônio; Pereira, Wagner Coelho de Albuquerque

2017-01-01

One goal of therapeutic ultrasound is enabling heat generation in tissue. Ultrasound application protocols typically neglect these processes of absorption and backscatter/reflection at the skin/fat, fat/muscle, and muscle/bone interfaces. The aim of this study was to investigate the heating process at interfaces close to the transducer and the bone with the aid of computer simulation and tissue-mimicking materials (phantoms). The experimental setup consists of physiotherapeutic ultrasound equipment for irradiation, two layers of soft tissue-mimicking material, and one with and one without an additional layer of bone-mimicking material. Thermocouple monitoring is used in both cases. A computational model is used with the experimental parameters in a COMSOL® software platform. The experimental results show significant temperature rise (42 °C) at 10 mm depth, regardless of bone layer presence, diverging 3 °C from the simulated values. The probable causes are thermocouple and transducer heating and interface reverberations. There was no statistical difference in the experimental results with and without the cortical bone for the central thermocouple of the first interface [ t (38) = -1.52; 95% CI = -0.85, 0.12; p  = 14]. Temperature rise (>6 °C) close to the bone layer was lower than predicted (>21 °C), possibly because without the bone layer, thermocouples at 30 mm make contact with the water bath and convection intensifies heat loss; this factor was omitted in the simulation model. This work suggests that more attention should be given to soft tissue layer interfaces in ultrasound therapeutic procedures even in the absence of a close bone layer.

Gesture-Controlled Interfaces for Self-Service Machines

NASA Technical Reports Server (NTRS)

Cohen, Charles J.; Beach, Glenn

2006-01-01

Gesture-controlled interfaces are software- driven systems that facilitate device control by translating visual hand and body signals into commands. Such interfaces could be especially attractive for controlling self-service machines (SSMs) for example, public information kiosks, ticket dispensers, gasoline pumps, and automated teller machines (see figure). A gesture-controlled interface would include a vision subsystem comprising one or more charge-coupled-device video cameras (at least two would be needed to acquire three-dimensional images of gestures). The output of the vision system would be processed by a pure software gesture-recognition subsystem. Then a translator subsystem would convert a sequence of recognized gestures into commands for the SSM to be controlled; these could include, for example, a command to display requested information, change control settings, or actuate a ticket- or cash-dispensing mechanism. Depending on the design and operational requirements of the SSM to be controlled, the gesture-controlled interface could be designed to respond to specific static gestures, dynamic gestures, or both. Static and dynamic gestures can include stationary or moving hand signals, arm poses or motions, and/or whole-body postures or motions. Static gestures would be recognized on the basis of their shapes; dynamic gestures would be recognized on the basis of both their shapes and their motions. Because dynamic gestures include temporal as well as spatial content, this gesture- controlled interface can extract more information from dynamic than it can from static gestures.

Interface stability in a slowly rotating, low gravity tank Experiments

NASA Technical Reports Server (NTRS)

Leslie, F.; Gans, R. F.

1986-01-01

Analytical models of liquid in partially-filled rotating tanks predict both the shape of the interface between the liquid and its vapor, and the stability of that interface. The models are of necessity incomplete and experimental data are needed to assess the approximations made. Presented are preliminary experimental studies both in the laboratory and in the low-gravity environment of a free-falling aircraft. Emphasis is placed on bubbles which intersect the container boundaries. Measurements of rotating equilibrium bubble shapes are in agreement with theoretical profiles derived from Laplace's formula. The interface shape depends on the contact angle, the radius of intersection with container, and the ratio of centrifugal force to surface tension.

Low energy stage study. Volume 3: Conceptual design, interface analysis, flight and ground operations. [launching space shuttle payloads

NASA Technical Reports Server (NTRS)

1978-01-01

Low energy conceptual stage designs and adaptations to existing/planned shuttle upper stages were developed and their performance established. Selected propulsion modes and subsystems were used as a basis to develop airborne support equipment (ASE) design concepts. Orbiter installation and integration (both physical and electrical interfaces) were defined. Low energy stages were adapted to the orbiter and ASE interfaces. Selected low energy stages were then used to define and describe typical ground and flight operations.

Section-constrained local geological interface dynamic updating method based on the HRBF surface

NASA Astrophysics Data System (ADS)

Guo, Jiateng; Wu, Lixin; Zhou, Wenhui; Li, Chaoling; Li, Fengdan

2018-02-01

Boundaries, attitudes and sections are the most common data acquired from regional field geological surveys, and they are used for three-dimensional (3D) geological modelling. However, constructing topologically consistent 3D geological models from rapid and automatic regional modelling with convenient local modifications remains unresolved. In previous works, the Hermite radial basis function (HRBF) surface was introduced for the simulation of geological interfaces from geological boundaries and attitudes, which allows 3D geological models to be automatically extracted from the modelling area by the interfaces. However, the reasonability and accuracy of non-supervised subsurface modelling is limited without further modifications generated through explanations and analyses performed by geology experts. In this paper, we provide flexible and convenient manual interactive manipulation tools for geologists to sketch constraint lines, and these tools may help geologists transform and apply their expert knowledge to the models. In the modified modelling workflow, the geological sections were treated as auxiliary constraints to construct more reasonable 3D geological models. The geometric characteristics of section lines were abstracted to coordinates and normal vectors, and along with the transformed coordinates and vectors from boundaries and attitudes, these characteristics were adopted to co-calculate the implicit geological surface function parameters of the HRBF equations and form constrained geological interfaces from topographic (boundaries and attitudes) and subsurface data (sketched sections). Based on this new modelling method, a prototype system was developed, in which the section lines could be imported from databases or interactively sketched, and the models could be immediately updated after the new constraints were added. Experimental comparisons showed that all boundary, attitude and section data are well represented in the constrained models, which are consistent with expert explanations and help improve the quality of the models.

Physics, mathematics and numerics of particle adsorption on fluid interfaces

NASA Astrophysics Data System (ADS)

Schmuck, Markus; Pavliotis, Grigorios A.; Kalliadasis, Serafim

2012-11-01

We study two arbitrary immiscible fuids where one phase contains small particles of the size of the interface and smaller. We primarily focus on charge-free particles with wetting characteristics described by the contact angle formed at the interface between the two phases and the particles. Based on the experimental observation that particles are adsorbed on the interface to reduce the interfacial energy and hence the surface tension as well, we formulate a free-energy functional that accounts for these physical effects. Using elements from calculus of variations and formal gradient flow theory, we derive partial differential equations describing the location of the interface and the density of the particles in the fluid phases. Via numerical experiments we analyse the time evolution of the surface tension, the particle concentration, and the free energy over time and reflect basic experimentally observed phenomena.

GUIDON-WATCH: A Graphic Interface for Viewing a Knowledge-Based System. Technical Report #14.

ERIC Educational Resources Information Center

Richer, Mark H.; Clancey, William J.

This paper describes GUIDON-WATCH, a graphic interface that uses multiple windows and a mouse to allow a student to browse a knowledge base and view reasoning processes during diagnostic problem solving. The GUIDON project at Stanford University is investigating how knowledge-based systems can provide the basis for teaching programs, and this…

Annual Report 1998: Chemical Structure and Dynamics

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

SD Colson; RS McDowell

1999-05-10

The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Labo- ratory (EMSL), developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of- the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interracial chemical processes within which the new knowledge generatedmore » can be brought to bear on complex phenomena in envi- ronmental chemistry and in nuclear waste proc- essing and storage; and (3) developing state-of- the-art analytical methods for characterizing com- plex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. Our program aims at achieving a quantitative understanding of chemical reactions at interfaces and, more generally, in condensed media, compa- rable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for pre- dicting macroscopic chemical behavior in con- densed and heterogeneous media, which will add significantly to the value of field-scale envi- ronmental models, predictions of short- and long- term nuclear waste storage stabilities, and other areas related to the primary missions of the U.S. Department of Energy (DOE).« less

Experimental and Theoretical Probing of Molecular Dynamics at Catalytic and Ionic Liquid Interfaces

DTIC Science & Technology

2014-04-01

15. SUBJECT TERMS Surface, interface,  photocatalysis , fluorescence yield, ionic liquid, reactive force field    16. SECURITY CLASSIFICATION OF: 17...2, 3 which are promising photocatalysts for hydrogen production via photocatalytic water splitting. 1. Experimental The new experimental setup...Wang, G. Liu, G. Q. Lu, H.-M. Cheng, Int. J. of Hydrogen Energ., 2010, 35, 8199- 8205. 3. F. Xu, Y. Yuan, H. Han, D. Wu, Z. Gao, K. Jiang, CrystEngComm

Non-linear solitary sound waves in lipid membranes and their possible role in biological signaling

NASA Astrophysics Data System (ADS)

Shrivastava, Shamit

Biological macromolecules self-assemble under entropic forces to form a dynamic 2D interfacial medium where the elastic properties arise from the curvature of the entropic potential of the interface. Elastic interfaces should be capable of propagating localized perturbations analogous to sound waves. However, (1) the existence and (2) the possible role of such waves in affecting biological functions remain unexplored. Both these aspects of "sound" as a signaling mechanism in biology are explored experimentally on mixed monolayers of lipids-fluorophores-proteins at the air/water interface as a model biological interface. This study shows - for the first time - that the nonlinear susceptibility near a thermodynamic transition in a lipid monolayer results in nonlinear solitary sound waves that are of 'all or none' nature. The state dependence of the nonlinear propagation is characterized by studying the velocity-amplitude relationship and results on distance dependence, effect of geometry and collision of solitary waves are presented. Given that the lipid bilayers and real biological membranes have such nonlinearities in their susceptibility diagrams, similar solitary phenomenon should be expected in biological membranes. In fact the observed characteristics of solitary sound waves such as, their all or none nature, a biphasic pulse shape with a long tail and optp-mechano-electro-thermal coupling etc. are strikingly similar to the phenomenon of nerve pulse propagation as observed in single nerve fibers. Finally given the strong correlation between the activity of membrane bound enzymes and the susceptibility and the fact that the later varies within a single solitary pulse, a new thermodynamic basis for biological signaling is proposed. The state of the interface controls both the nature of sound propagation and its impact on incorporated enzymes and proteins. The proof of concept is demonstrated for acetylcholine esterase embedded in a lipid monolayer, where the enzyme is spatiotemporally "knocked out" by a propagating sound wave.

Nonlinear fractional waves at elastic interfaces

NASA Astrophysics Data System (ADS)

Kappler, Julian; Shrivastava, Shamit; Schneider, Matthias F.; Netz, Roland R.

2017-11-01

We derive the nonlinear fractional surface wave equation that governs compression waves at an elastic interface that is coupled to a viscous bulk medium. The fractional character of the differential equation comes from the fact that the effective thickness of the bulk layer that is coupled to the interface is frequency dependent. The nonlinearity arises from the nonlinear dependence of the interface compressibility on the local compression, which is obtained from experimental measurements and reflects a phase transition at the interface. Numerical solutions of our nonlinear fractional theory reproduce several experimental key features of surface waves in phospholipid monolayers at the air-water interface without freely adjustable fitting parameters. In particular, the propagation distance of the surface wave abruptly increases at a threshold excitation amplitude. The wave velocity is found to be of the order of 40 cm/s in both experiments and theory and slightly increases as a function of the excitation amplitude. Nonlinear acoustic switching effects in membranes are thus shown to arise purely based on intrinsic membrane properties, namely, the presence of compressibility nonlinearities that accompany phase transitions at the interface.

Molecular Dynamics Simulations of Adhesion at Epoxy Interfaces

NASA Technical Reports Server (NTRS)

Frankland, Sarah-Jane V.; Clancy, Thomas C.; Hinkley, J. A.; Gates. T. S.

2008-01-01

The effect of moisture on adhesives used in aerospace applications can be modeled with chemically specific techniques such as molecular dynamics simulation. In the present study, the surface energy and work of adhesion are calculated for epoxy surfaces and interfaces, respectively, by using molecular dynamics simulation. Modifications are made to current theory to calculate the work of adhesion at the epoxy-epoxy interface with and without water. Quantitative agreement with experimental values is obtained for the surface energy and work of adhesion at the interface without water. The work of adhesion agrees qualitatively with the experimental values for the interface with water: the magnitude is reduced 15% with respect to the value for the interface without water. A variation of 26% in the magnitude is observed depending on the water configuration at a concentration of 1.6 wt%. The methods and modifications to the method that are employed to obtain these values are expected to be applicable for other epoxy adhesives to determine the effects of moisture uptake on their work of adhesion.

Interface of the transport systems research vehicle monochrome display system to the digital autonomous terminal access communication data bus

NASA Technical Reports Server (NTRS)

Easley, W. C.; Tanguy, J. S.

1986-01-01

An upgrade of the transport systems research vehicle (TSRV) experimental flight system retained the original monochrome display system. The original host computer was replaced with a Norden 11/70, a new digital autonomous terminal access communication (DATAC) data bus was installed for data transfer between display system and host, while a new data interface method was required. The new display data interface uses four split phase bipolar (SPBP) serial busses. The DATAC bus uses a shared interface ram (SIR) for intermediate storage of its data transfer. A display interface unit (DIU) was designed and configured to read from and write to the SIR to properly convert the data from parallel to SPBP serial and vice versa. It is found that separation of data for use by each SPBP bus and synchronization of data tranfer throughout the entire experimental flight system are major problems which require solution in DIU design. The techniques used to accomplish these new data interface requirements are described.

Experimental Evaluation of Faecal Escherichia coli and Hepatitis E Virus as Biological Indicators of Contacts Between Domestic Pigs and Eurasian Wild Boar.

PubMed

Barth, S; Geue, L; Hinsching, A; Jenckel, M; Schlosser, J; Eiden, M; Pietschmann, J; Menge, C; Beer, M; Groschup, M; Jori, F; Etter, E; Blome, S

2017-04-01

Domestic pigs and Eurasian wild boar (Sus scrofa) share several important viral and bacterial pathogens. Therefore, direct and indirect contacts between domestic pigs and wild boar present a risk of pathogen spillover and can lead to long-term perpetuation of infection. Biological indicators could be a powerful tool to understand and characterize contacts between wild boar and domestic pigs. Here, faecal Escherichia coli and Hepatitis E virus (HEV) were explored as potential biological indicators under experimental conditions. The data gained in our pilot study suggest that faecal E. coli can be used as biological indicator of contact between wild boar and domestic pig. For HEV, faecal transmission was also confirmed. However, molecular studies on full-genome basis did not reveal markers that would allow tracing of transmission direction. Based on these promising results, future field studies will especially target the practicability of E. coli microbiome molecular typing as surrogate of contacts at the wildlife-livestock interface. © 2015 Blackwell Verlag GmbH.

The Interfacial Thermal Conductance of Epitaxial Metal-Semiconductor Interfaces

NASA Astrophysics Data System (ADS)

Ye, Ning

Understanding heat transport at nanometer and sub-nanometer lengthscales is critical to solving a wide range of technological challenges related to thermal management and energy conversion. In particular, finite Interfacial Thermal Conductance (ITC) often dominates transport whenever multiple interfaces are closely spaced together or when heat originates from sources that are highly confined by interfaces. Examples of the former include superlattices, thin films, quantum cascade lasers, and high density nanocomposites. Examples of the latter include FinFET transistors, phase-change memory, and the plasmonic transducer of a heat-assisted magnetic recording head. An understanding of the physics of such interfaces is still lacking, in part because experimental investigations to-date have not bothered to carefully control the structure of interfaces studied, and also because the most advanced theories have not been compared to the most robust experimental data. This thesis aims to resolve this by investigating ITC between a range of clean and structurally well-characterized metal-semiconductor interfaces using the Time-Domain Thermoreflectance (TDTR) experimental technique, and by providing theoretical/computational comparisons to the experimental data where possible. By studying the interfaces between a variety of materials systems, each with unique aspects to their tunability, I have been able to answer a number of outstanding questions regarding the importance of interfacial quality (epitaxial/non-epitaxial interfaces), semiconductor doping, matching of acoustic and optical phonon band structure, and the role of phonon transport mechanisms apart from direct elastic transmission on ITC. In particular, we are able to comment on the suitability of the diffuse mismatch model (DMM) to describe the transport across epitaxial interfaces. To accomplish this goal, I studied interfacial thermal transport across CoSi2, TiSi2, NiSi and PtSi - Si(100) and Si(111), (silicides-silicon), interfaces with varying levels of disorder (epitaxial and non-epitaxial). The ITC values of silicides-silicon interfaces observed in this study are higher than those of other metallic interfaces to Si found in literature. Most surprisingly, it is experimentally found that ITC values are independent of interfacial quality and substrate orientation. Computationally, it is found that the non-equilibrium atomistic Green's Function technique (NEGF), which is specically designed to simulate coherent elastic phonon transport across interfaces, significantly underpredicts ITC values for CoSi2-Si interfaces, suggesting that energy transport does not occur purely by coherent transmission of phonons, even for epitaxial interfaces. In contrast, the Diffuse Mismatch Model closely mimics the experimentally observed ITC values for CoSi 2-Si, NiSi-Si and TiSi2-Si interfaces, and only slightly overestimating the same for PtSi-Si interfaces. Furthermore, the results also show that ITC is independent of degenerate doping up to doping levels of ≈1 x 1019 cm-3, indicating there is no significant direct electronic transport or transport effects which depend on long-range metal-semiconductor band alignment. Then, I study the effect of phonon band structure on ITC through measurements of epitaxial NiAl1-xGax-GaAs interfaces for varying levels of alloy composition, which independently tunes the mass of the metal's heavy atom without much affect on the lattice structure or interatomic force constants. The ITC values are found to linearly increase with increasing Ga content, consistent with the disappearance of a phonon band gap in NiAl 1-xGax films with increasing Ga content, which enhances the phonon transmission coefficients due to a better density of states overlap between the two (NiAl1-xGax, GaAs) materials. Finally, I study a unique subset of epitaxial rocksalt interfaces between the Group IV metal nitrides (TiN, ZrN, and HfN) to MgO substrates as well as ScN layers. Prior to the currrent study, TiN-MgO was the only measured interface of this type, and maintained the record for the highest reported ITC for a metal-semiconductor interface. By varying the Group IV metal, the mass of the metal's light atom was independently tuned, allowing the ability to tune the acoustic phonon frequencies in the metal without significant effect to optical phonon band structure. We find that the ITC of all the studied interfaces are quite high, significantly exceeding the DMM predictions, and in the case of XN-ScN interfaces even exceed the radiative limit for elastic phonon transport. The results imply that mechanisms such as anharmonic phonon transmission, strong cross-interfacial electron phonon coupling, or direct electric transmission are required to explain the transport. The TiN-ScN interface conductance is the highest room temperature metal-dielectric conductance ever reported.

On the Structure of the Mixing Zone at an Unstable Contact Boundary

NASA Astrophysics Data System (ADS)

Meshkov, E. E.

2018-01-01

The interface between two media of different densities (contact boundary) moving with an acceleration directed from the less dense medium to the more dense one is unstable (Rayleigh-Taylor instability) [1, 2]. The initial perturbations of the interface grow indefinitely and, as a result, a medium mixing zone growing with time is formed at the interface. The structure of such a mixing zone at gas-gas and gas-liquid interfaces is discussed on the basis of laboratory experiments on shock tubes of various types. It is concluded that the regions of turbulent and laminar flows are combined in the mixing zone.

Gate tuneable beamsplitter in ballistic graphene

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

Rickhaus, Peter; Makk, Péter, E-mail: Peter.Makk@unibas.ch; Schönenberger, Christian

2015-12-21

We present a beam splitter in a suspended, ballistic, multiterminal, bilayer graphene device. By using local bottomgates, a p-n interface tilted with respect to the current direction can be formed. We show that the p-n interface acts as a semi-transparent mirror in the bipolar regime and that the reflectance and transmittance of the p-n interface can be tuned by the gate voltages. Moreover, by studying the conductance features appearing in magnetic field, we demonstrate that the position of the p-n interface can be moved by 1 μm. The herein presented beamsplitter device can form the basis of electron-optic interferometers in graphene.

Particle Engulfment and Pushing By Solidifying Interfaces - Recent Theoretical and Experimental Developments

NASA Technical Reports Server (NTRS)

Stefanescu, D. M.; Catalina, A. V.; Juretzko, Frank R.; Sen, Subhayu; Curreri, P. A.

2003-01-01

The objective of the work on Particle Engulfment and Pushing by Solidifying Interfaces (PEP) include: 1) to obtain fundamental understanding of the physics of particle pushing and engulfment, 2) to develop mathematical models to describe the phenomenon, and 3) to perform critical experiments in the microgravity environment of space to provide benchmark data for model validation. Successful completion of this project will yield vital information relevant to a diverse area of terrestrial applications. With PEP being a long term research effort, this report will focus on advances in the theoretical treatment of the solid/liquid interface interaction with an approaching particle, experimental validation of some aspects of the developed models, and the experimental design aspects of future experiments to be performed on board the International Space Station.

Experimental Evaluation of the Synthetic Solid Electrolyte Interface (SSEI) Concept for the Primary Ca-SOCl2 Battery System

DTIC Science & Technology

1988-12-01

coatings based on the Ca(Sr,Y)- Ge-S system can serve as an effective SSEI for Ca anodes in Ca-SOC12 primary cells using 1 M Ca(AlCl4 )2 as the electrolyte...I iy - LFI. CDY 4 EXPERIMENTAL EVALUATION OF THE SYNTHETIC SOLID ELECTROLYTE INTERFACE ( SSEI ) CONCEPT FOR THE PRIMARY Ca-SOC1 2 BA LERY SYSTEM...apply the concept of a synthetic solid electrolyte interface ( SSEI ) to overcome the problem of Ca corro- sion in Ca-SOC 2 primary cells. / To this end

Research of Steel-dielectric Transition Using Subminiature Eddy-current Transducer

NASA Astrophysics Data System (ADS)

Dmitriev, S. F.; Malikov, V. N.; Sagalakov, A. M.; Ishkov, A. V.

2018-05-01

The research aims to develop a subminiature transducer for electrical steel investigation. The authors determined the capability to study steel characteristics at different depths based on variations of eddy-current transducer amplitude at the steel-dielectric boundary. A subminiature transformer-type transducer was designed, which enables to perform local investigations of ferromagnetic materials using an eddy-current method based on local studies of the steel electrical conductivity. Having the designed transducer as a basis, a hardware-software complex was built to perform experimental studies of steel at the interface boundary. Test results are reported for a specimen with continuous and discrete measurements taken at different frequencies. The article provides the key technical information about the eddy current transformer used and describes the methodology of measurements that makes it possible to control steel to dielectric transition.

Using structure locations as a basis for mapping the wildland urban interface

Treesearch

Avi Bar-Massada; Susan I. Stewart; Roger B. Hammer; Miranda H. Mockrin; Volker C. Radeloff

2013-01-01

The wildland urban interface (WUI) delineates the areas where wildland fire hazard most directly impacts human communities and threatens lives and property, and where houses exert the strongest influence on the natural environment. Housing data are a major problem for WUI mapping. When housing data are zonal, the concept of a WUI neighborhood can be captured easily in...

Thermodynamic properties of adsorption and micellization of n-oktyl-β-D-glucopiranoside.

PubMed

Mańko, Diana; Zdziennicka, Anna; Jańczuk, Bronisław

2014-02-01

Measurements of the surface tension, density and viscosity of aqueous solutions of n-oktyl-β-D-glucopiranoside (OGP) were made at 293 K. From the obtained results the Gibbs surface excess concentration of OGP at the water-air interface and its critical micelle concentration were determined. The Gibbs surface excess concentration of OGP used in the Gu and Zhu isotherm equation allowed us to determine the Gibbs standard free energy of OGP adsorption at the water-air interface. The Gibbs standard free energy of OGP adsorption was also determined on the basis of the Langmuir, Szyszkowski, Gamboa and Olea equations as well the surface tension of "hydrophobic" part of OGP and "hydrophobic" part-water interface tension. It appeared that there is an agreement between the values of Gibbs standard free energy of OGP adsorption at the water-air interface determined by using all the above mentioned methods. It also proved that standard free energy of OGP micellization determined from CMC is consistent with that obtained on the basis of the free energy of the interactions between the "hydrophobic" part of the OPG through the water phase. Copyright © 2013 Elsevier B.V. All rights reserved.

Band alignment and charge transfer predictions of ZnO/ZnX (X = S, Se or Te) interfaces applied to solar cells: a PBE+U theoretical study.

PubMed

Flores, Efracio Mamani; Gouvea, Rogério Almeida; Piotrowski, Maurício Jeomar; Moreira, Mário Lucio

2018-02-14

The engineering of semiconductor materials for the development of solar cells is of great importance today. Two topics are considered to be of critical importance for the efficiency of Grätzel-type solar cells, the efficiency of charge separation and the efficiency of charge carrier transfer. Thus, one research focus is the combination of semiconductor materials with the aim of reducing charge recombination, which occurs by spatial charge separation. From an experimental point of view, the combining of materials can be achieved by decorating a core with a shell of another material resulting in a core-shell system, which allows control of the desired photoelectronic properties. In this context, a computational simulation is mandatory for the atomistic understanding of possible semiconductor combinations and for the prediction of their properties. Considering the construction of ZnO/ZnX (X = S, Se or Te) interfaces, we seek to investigate the electronic influence of the shell (ZnX) on the core (ZnO) and, consequently, find out which of the interfaces would present the appropriate properties for (Grätzel-type) solar cell applications. To perform this study, we have employed density functional theory (DFT) calculations, considering the Perdew-Burke-Ernzerhof (PBE) functional. However, it is well-known that plain DFT fails to describe strong electronic correlated materials where, in general, an underestimation of the band gap is obtained. Thus, to obtain the correct description of the electronic properties, a Hubbard correction was employed, i.e. PBE+U calculations. The PBE+U methodology provided the correct electronic structure properties for bulk ZnO in good agreement with experimental values (99.4%). The ZnO/ZnX interfaces were built and were composed of six ZnO layers and two ZnX layers, which represents the decoration process. The core-shell band gap was 2.2 eV for ZnO/ZnS, ∼1.71 eV for ZnO/ZnSe and ∼0.95 eV for ZnO/ZnTe, which also exhibited a type-II band alignment. Bader charge analysis showed an accumulation of charges in the 6th layer of ZnO for the three ZnO/ZnX interfaces. On the basis of these results, we have proposed that ZnO/ZnS and ZnO/ZnSe core-shell structures can be applied as good candidates (with better efficiency) for photovoltaic devices.

Water at Interfaces.

PubMed

Björneholm, Olle; Hansen, Martin H; Hodgson, Andrew; Liu, Li-Min; Limmer, David T; Michaelides, Angelos; Pedevilla, Philipp; Rossmeisl, Jan; Shen, Huaze; Tocci, Gabriele; Tyrode, Eric; Walz, Marie-Madeleine; Werner, Josephina; Bluhm, Hendrik

2016-07-13

The interfaces of neat water and aqueous solutions play a prominent role in many technological processes and in the environment. Examples of aqueous interfaces are ultrathin water films that cover most hydrophilic surfaces under ambient relative humidities, the liquid/solid interface which drives many electrochemical reactions, and the liquid/vapor interface, which governs the uptake and release of trace gases by the oceans and cloud droplets. In this article we review some of the recent experimental and theoretical advances in our knowledge of the properties of aqueous interfaces and discuss open questions and gaps in our understanding.

Molecular basis for the interplay of apoptosis and proliferation mediated by Bcl-xL:Bim interactions in pancreatic cancer cells

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

Abrol, Ravinder, E-mail: abrol@wag.caltech.edu; Edderkaoui, Mouad; Goddard, William A.

2012-06-15

Highlights: Black-Right-Pointing-Pointer Direct role of Bcl-2 protein interactions in cell proliferation is not clear. Black-Right-Pointing-Pointer Designed Bcl-xL mutants show opposite effects on apoptosis and proliferation. Black-Right-Pointing-Pointer Disrupting Bcl-xL:Bim interaction increased apoptosis in pancreatic cancer. Black-Right-Pointing-Pointer Disrupting Bcl-xL:Bim interaction decreased proliferation in pancreatic cancer. Black-Right-Pointing-Pointer Bcl-xL:Bim interaction can control both apoptosis and proliferation. -- Abstract: A major mechanism through which cancer cells avoid apoptosis is by promoting the association of anti-apoptotic members of the pro-survival Bcl-2 protein family (like Bcl-2 and Bcl-xL) with BH{sub 3} domain-only proteins (like Bim and Bid). Apoptosis and cell proliferation have been shown to be linkedmore » for many cancers but the molecular basis for this link is far from understood. We have identified the Bcl-xL:Bim protein-protein interface as a direct regulator of proliferation and apoptosis in pancreatic cancer cells. We were able to predict and subsequently verify experimentally the effect of various Bcl-xL single-point mutants (at the position A142) on binding to Bim by structural analysis and computational modeling of the inter-residue interactions at the Bcl-xL:Bim protein-protein interface. The mutants A142N, A142Q, and A142Y decreased binding of Bim to Bcl-xL and A142S increased this binding. The Bcl-xL mutants, with decreased affinity for Bim, caused an increase in apoptosis and a corresponding decrease in cell proliferation. However, we could prevent these effects by introducing a small interfering RNA (siRNA) targeted at Bim. These results show a novel role played by the Bcl-xL:Bim interaction in regulating proliferation of pancreatic cancer cells at the expense of apoptosis. This study presents a physiologically relevant model of the Bcl-xL:Bim interface that can be used for rational therapeutic design for the inhibition of proliferation and cancer cell resistance to apoptosis.« less

Impact of Silicon Nanocrystal Oxidation on the Nonmetallic Growth of Carbon Nanotubes.

PubMed

Rocks, Conor; Mitra, Somak; Macias-Montero, Manuel; Maguire, Paul; Svrcek, Vladimir; Levchenko, Igor; Ostrikov, Kostya; Mariotti, Davide

2016-07-27

Carbon nanotube (CNT) growth has been demonstrated recently using a number of nonmetallic semiconducting and metal oxide nanoparticles, opening up pathways for direct CNT synthesis from a number of more desirable templates without the need for metallic catalysts. However, CNT growth mechanisms using these nonconventional catalysts has been shown to largely differ and reamins a challenging synthesis route. In this contribution we show CNT growth from partially oxidized silicon nanocrystals (Si NCs) that exhibit quantum confinement effects using a microwave plasma enhanced chemical vapor deposition (PECVD) method. On the basis of solvent and a postsynthesis frgamentation process, we show that oxidation of our Si NCs can be easily controlled. We determine experimentally and explain with theoretical simulations that the Si NCs morphology together with a necessary shell oxide of ∼1 nm is vital to allow for the nonmetallic growth of CNTs. On the basis of chemical analysis post-CNT-growth, we give insight into possible mechanisms for CNT nucleation and growth from our partially oxidized Si NCs. This contribution is of significant importance to the improvement of nonmetallic catalysts for CNT growth and the development of Si NC/CNT interfaces.

Analysis Method of Friction Torque and Weld Interface Temperature during Friction Process of Steel Friction Welding

NASA Astrophysics Data System (ADS)

Kimura, Masaaki; Inoue, Haruo; Kusaka, Masahiro; Kaizu, Koichi; Fuji, Akiyoshi

This paper describes an analysis method of the friction torque and weld interface temperature during the friction process for steel friction welding. The joining mechanism model of the friction welding for the wear and seizure stages was constructed from the actual joining phenomena that were obtained by the experiment. The non-steady two-dimensional heat transfer analysis for the friction process was carried out by calculation with FEM code ANSYS. The contact pressure, heat generation quantity, and friction torque during the wear stage were calculated using the coefficient of friction, which was considered as the constant value. The thermal stress was included in the contact pressure. On the other hand, those values during the seizure stage were calculated by introducing the coefficient of seizure, which depended on the seizure temperature. The relationship between the seizure temperature and the relative speed at the weld interface in the seizure stage was determined using the experimental results. In addition, the contact pressure and heat generation quantity, which depended on the relative speed of the weld interface, were solved by taking the friction pressure, the relative speed and the yield strength of the base material into the computational conditions. The calculated friction torque and weld interface temperatures of a low carbon steel joint were equal to the experimental results when friction pressures were 30 and 90 MPa, friction speed was 27.5 s-1, and weld interface diameter was 12 mm. The calculation results of the initial peak torque and the elapsed time for initial peak torque were also equal to the experimental results under the same conditions. Furthermore, the calculation results of the initial peak torque and the elapsed time for initial peak torque at various friction pressures were equal to the experimental results.

Understanding biomaterial-tissue interface quality: combined in vitro evaluation

NASA Astrophysics Data System (ADS)

Gasik, Michael

2017-12-01

One of the greatest challenges in the development of new medical products and devices remains in providing maximal patient safety, efficacy and suitability for the purpose. A 'good quality' of the tissue-implant interface is one of the most critical factors for the success of the implant integration. In this paper this challenge is being discussed from the point of view of basic stimuli combination to experimental testing. The focus is in particular on bacterial effects on tissue-implant interaction (for different materials). The demonstration of the experimental evaluation of the tissue-implant interface is for dental abutment with mucosal contact. This shows that testing of the interface quality could be the most relevant in controlled conditions, which mimic as possible the clinical applications, but consider variables being under the control of the evaluator.

Modelling and simulation of a moving interface problem: freeze drying of black tea extract

NASA Astrophysics Data System (ADS)

Aydin, Ebubekir Sıddık; Yucel, Ozgun; Sadikoglu, Hasan

2017-06-01

The moving interface separates the material that is subjected to the freeze drying process as dried and frozen. Therefore, the accurate modeling the moving interface reduces the process time and energy consumption by improving the heat and mass transfer predictions during the process. To describe the dynamic behavior of the drying stages of the freeze-drying, a case study of brewed black tea extract in storage trays including moving interface was modeled that the heat and mass transfer equations were solved using orthogonal collocation method based on Jacobian polynomial approximation. Transport parameters and physical properties describing the freeze drying of black tea extract were evaluated by fitting the experimental data using Levenberg-Marquardt algorithm. Experimental results showed good agreement with the theoretical predictions.

Zak phase induced multiband waveguide by two-dimensional photonic crystals.

PubMed

Yang, Yuting; Xu, Tao; Xu, Yun Fei; Hang, Zhi Hong

2017-08-15

Interface states in photonic crystals provide efficient approaches to control the flow of light. Photonic Zak phase determines the bulk band properties of photonic crystals, and, by assembling two photonic crystals with different bulk band properties together, deterministic interface states can be realized. By translating each unit cell of a photonic crystal by half the lattice constant, another photonic crystal with identical common gaps but a different Zak phase at each photonic band can be created. By assembling these two photonic crystals together, multiband waveguide can thus be easily created and then experimentally characterized. Our experimental results have good agreement with numerical simulations, and the propagation properties of these measured interface states indicate that this new type of interface state will be a good candidate for future applications of optical communications.

Interface-induced localization in AlSb/InAs heterostructures

NASA Astrophysics Data System (ADS)

Shaw, M. J.; Briddon, P. R.; Jaros, M.

1995-12-01

The existence of localized states at perfect InSb-like interfaces in AlSb/InAs superlattices is predicted from ab initio pseudopotential calculations. Localized states are predicted in both the valence and conduction bands, the former being identifiable with the interface states proposed by Kroemer, Nguyen, and Brar [J. Vac. Sci. Technol. 10, 1769 (1990)]. The existence of these interface localized states is invoked to explain the reported experimental dependence of the band gap upon interface types in such superlattices.

A Novel Intrinsic Interface State Controlled by Atomic Stacking Sequence at Interfaces of SiC/SiO2.

PubMed

Matsushita, Yu-Ichiro; Oshiyama, Atsushi

2017-10-11

On the basis of ab initio total-energy electronic-structure calculations, we find that electron states localized at the SiC/SiO 2 interface emerge in the energy region between 0.3 eV below and 1.2 eV above the bulk conduction-band minimum (CBM) of SiC, being sensitive to the sequence of atomic bilayers in SiC near the interface. These new interface states unrecognized in the past are due to the peculiar characteristics of the CBM states that are distributed along the crystallographic channels. We also find that the electron doping modifies the energetics among the different stacking structures. Implication for performance of electron devices fabricated on different SiC surfaces is discussed.

Behavior of ceramic particles at the solid-liquid metal interface in metal matrix composites

NASA Technical Reports Server (NTRS)

Stefanescu, D. M.; Dhindaw, B. K.; Kacar, S. A.; Moitra, A.

1988-01-01

Directional solidification results were obtained in order to investigate particle behavior at the solid-liquid interface in Al-2 pct Mg (cellular interface) and Al-6.1 pct Ni (eutectic interface) alloys. It is found that particles can be entrapped in the solid if adequate solidification rates and temperature gradients are used. Model results showed critical velocity values slightly higher than those obtained experimentally.

Process dependent morphology of the Si/SiO2 interface measured with scanning tunneling microscopy

NASA Technical Reports Server (NTRS)

Hecht, Michael H.; Bell, L. D.; Grunthaner, F. J.; Kaiser, W. J.

1988-01-01

A new experimental technique to determine Si/SiO2 interface morphology is described. Thermal oxides of silicon are chemically removed, and the resulting surface topography is measured with scanning tunneling microscopy. Interfaces prepared by oxidation of Si (100) and (111) surfaces, followed by postoxidation anneal (POA) at different temperatures, have been characterized. Correlations between interface structure, chemistry, and electrical characteristics are described.

Efficient Data Transfer Rate and Speed of Secured Ethernet Interface System.

PubMed

Ghanti, Shaila; Naik, G M

2016-01-01

Embedded systems are extensively used in home automation systems, small office systems, vehicle communication systems, and health service systems. The services provided by these systems are available on the Internet and these services need to be protected. Security features like IP filtering, UDP protection, or TCP protection need to be implemented depending on the specific application used by the device. Every device on the Internet must have network interface. This paper proposes the design of the embedded Secured Ethernet Interface System to protect the service available on the Internet against the SYN flood attack. In this experimental study, Secured Ethernet Interface System is customized to protect the web service against the SYN flood attack. Secured Ethernet Interface System is implemented on ALTERA Stratix IV FPGA as a system on chip and uses the modified SYN flood attack protection method. The experimental results using Secured Ethernet Interface System indicate increase in number of genuine clients getting service from the server, considerable improvement in the data transfer rate, and better response time during the SYN flood attack.

Efficient Data Transfer Rate and Speed of Secured Ethernet Interface System

PubMed Central

Ghanti, Shaila

2016-01-01

Embedded systems are extensively used in home automation systems, small office systems, vehicle communication systems, and health service systems. The services provided by these systems are available on the Internet and these services need to be protected. Security features like IP filtering, UDP protection, or TCP protection need to be implemented depending on the specific application used by the device. Every device on the Internet must have network interface. This paper proposes the design of the embedded Secured Ethernet Interface System to protect the service available on the Internet against the SYN flood attack. In this experimental study, Secured Ethernet Interface System is customized to protect the web service against the SYN flood attack. Secured Ethernet Interface System is implemented on ALTERA Stratix IV FPGA as a system on chip and uses the modified SYN flood attack protection method. The experimental results using Secured Ethernet Interface System indicate increase in number of genuine clients getting service from the server, considerable improvement in the data transfer rate, and better response time during the SYN flood attack. PMID:28116350

Photovoltaics module interface: General purpose primers

NASA Technical Reports Server (NTRS)

Boerio, J.

1985-01-01

The interfacial chemistry established between ethylene vinyl acetate (EVA) and the aluminized back surface of commercial solar cells was observed experimentally. The technique employed is called Fourier Transform Infrared (FTIR) spectroscopy, with the infrared signal being reflected back from the aluminum surface through the EVA film. Reflection infrared (IR) spectra are given and attention is drawn to the specific IR peak at 1080/cm which forms on hydrolytic aging of the EVA/aluminum system. With this fundamental finding, and the workable experimental techniques, candidate silane coupling agents are employed at the interface, and their effects on eliminating or slowing hydrolytic aging of the EVA/aluminum interface are monitored.

Basis for paraxial surface-plasmon-polariton packets

NASA Astrophysics Data System (ADS)

Martinez-Herrero, Rosario; Manjavacas, Alejandro

2016-12-01

We present a theoretical framework for the study of surface-plasmon polariton (SPP) packets propagating along a lossy metal-dielectric interface within the paraxial approximation. Using a rigorous formulation based on the plane-wave spectrum formalism, we introduce a set of modes that constitute a complete basis set for the solutions of Maxwell's equations for a metal-dielectric interface in the paraxial approximation. The use of this set of modes allows us to fully analyze the evolution of the transversal structure of SPP packets beyond the single plane-wave approximation. As a paradigmatic example, we analyze the case of a Gaussian SPP mode, for which, exploiting the analogy with paraxial optical beams, we introduce a set of parameters that characterize its propagation.

Droplet formation at the non-equilibrium water/water (w/w) interface

NASA Astrophysics Data System (ADS)

Chao, Youchuang; Mak, Sze Yi; Kong, Tiantian; Ding, Zijing; Shum, Ho Cheung

2017-11-01

The interfacial instability at liquid-liquid interfaces has been intensively studied in recent years due to their important role in nature and technology. Among them, two classic instabilities are Rayleigh-Taylor (RT) and double diffusive (DD) instabilities, which are practically relevant to many industrial processes, such as geologic CO2 sequestration. Most experimental and theoretical works have focused on RT or DD instability in binary systems. However, the study of such instability in complex systems, such as non-equilibrium ternary systems that involves mass-transfer-induced phase separation, has received less attention. Here, by using a ternary system known as the aqueous two-phase system (ATPS), we investigate experimentally the behavior of non-equilibrium water/water (w/w) interfaces in a vertically orientated Hele-Shaw cell. We observe that an array of fingers emerge at the w/w interface, and then break into droplets. We explore the instability using different concentrations of two aqueous phases. Our experimental findings are expected to inspire the mass production of all-aqueous emulsions in a simple setup.

Simulations of viscous and compressible gas-gas flows using high-order finite difference schemes

NASA Astrophysics Data System (ADS)

Capuano, M.; Bogey, C.; Spelt, P. D. M.

2018-05-01

A computational method for the simulation of viscous and compressible gas-gas flows is presented. It consists in solving the Navier-Stokes equations associated with a convection equation governing the motion of the interface between two gases using high-order finite-difference schemes. A discontinuity-capturing methodology based on sensors and a spatial filter enables capturing shock waves and deformable interfaces. One-dimensional test cases are performed as validation and to justify choices in the numerical method. The results compare well with analytical solutions. Shock waves and interfaces are accurately propagated, and remain sharp. Subsequently, two-dimensional flows are considered including viscosity and thermal conductivity. In Richtmyer-Meshkov instability, generated on an air-SF6 interface, the influence of the mesh refinement on the instability shape is studied, and the temporal variations of the instability amplitude is compared with experimental data. Finally, for a plane shock wave propagating in air and impacting a cylindrical bubble filled with helium or R22, numerical Schlieren pictures obtained using different grid refinements are found to compare well with experimental shadow-photographs. The mass conservation is verified from the temporal variations of the mass of the bubble. The mean velocities of pressure waves and bubble interface are similar to those obtained experimentally.

The wave-based substructuring approach for the efficient description of interface dynamics in substructuring

NASA Astrophysics Data System (ADS)

Donders, S.; Pluymers, B.; Ragnarsson, P.; Hadjit, R.; Desmet, W.

2010-04-01

In the vehicle design process, design decisions are more and more based on virtual prototypes. Due to competitive and regulatory pressure, vehicle manufacturers are forced to improve product quality, to reduce time-to-market and to launch an increasing number of design variants on the global market. To speed up the design iteration process, substructuring and component mode synthesis (CMS) methods are commonly used, involving the analysis of substructure models and the synthesis of the substructure analysis results. Substructuring and CMS enable efficient decentralized collaboration across departments and allow to benefit from the availability of parallel computing environments. However, traditional CMS methods become prohibitively inefficient when substructures are coupled along large interfaces, i.e. with a large number of degrees of freedom (DOFs) at the interface between substructures. The reason is that the analysis of substructures involves the calculation of a number of enrichment vectors, one for each interface degree of freedom (DOF). Since large interfaces are common in vehicles (e.g. the continuous line connections to connect the body with the windshield, roof or floor), this interface bottleneck poses a clear limitation in the vehicle noise, vibration and harshness (NVH) design process. Therefore there is a need to describe the interface dynamics more efficiently. This paper presents a wave-based substructuring (WBS) approach, which allows reducing the interface representation between substructures in an assembly by expressing the interface DOFs in terms of a limited set of basis functions ("waves"). As the number of basis functions can be much lower than the number of interface DOFs, this greatly facilitates the substructure analysis procedure and results in faster design predictions. The waves are calculated once from a full nominal assembly analysis, but these nominal waves can be re-used for the assembly of modified components. The WBS approach thus enables efficient structural modification predictions of the global modes, so that efficient vibro-acoustic design modification, optimization and robust design become possible. The results show that wave-based substructuring offers a clear benefit for vehicle design modifications, by improving both the speed of component reduction processes and the efficiency and accuracy of design iteration predictions, as compared to conventional substructuring approaches.

Stability of two layers dielectric-electrolyte microflow subjected to an alternating external electric field.

PubMed

Demekhin, Evgeny A; Ganchenko, Georgy S; Gorbacheva, Ekaterina V; Amiroudine, Sakir

2018-04-16

The stability of the electroosmotic flow of the two-phase system electrolyte-dielectric with a free interface in the microchannel under an external electric field is examined theoretically. The mathematical model includes the Nernst-Plank equations for the ion concentrations. The linear stability of the 1D nonstationary solution with respect to the small, periodic perturbations along the channel, is studied. Two types of instability have been highlighted. The first is known as the long-wave instability and is connected with the distortion of the free charge on the interface. In the long-wave area, the results are in good agreement with the ones obtained theoretically and experimentally in the literature. The second type of instability is a short-wave and mostly connected with the disturbance of the electrolyte conductivity. The short-wave type of instability has not been found previously in the literature and constitutes the basis and the strength of the present work. It is revealed that with the increase of the external electric field frequency, the 1D flow is stabilized. The dependence of the flow on the other parameters of the system is qualitatively the same as for the constant electric field. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A multiprocessing architecture for real-time monitoring

NASA Technical Reports Server (NTRS)

Schmidt, James L.; Kao, Simon M.; Read, Jackson Y.; Weitzenkamp, Scott M.; Laffey, Thomas J.

1988-01-01

A multitasking architecture for performing real-time monitoring and analysis using knowledge-based problem solving techniques is described. To handle asynchronous inputs and perform in real time, the system consists of three or more distributed processes which run concurrently and communicate via a message passing scheme. The Data Management Process acquires, compresses, and routes the incoming sensor data to other processes. The Inference Process consists of a high performance inference engine that performs a real-time analysis on the state and health of the physical system. The I/O Process receives sensor data from the Data Management Process and status messages and recommendations from the Inference Process, updates its graphical displays in real time, and acts as the interface to the console operator. The distributed architecture has been interfaced to an actual spacecraft (NASA's Hubble Space Telescope) and is able to process the incoming telemetry in real-time (i.e., several hundred data changes per second). The system is being used in two locations for different purposes: (1) in Sunnyville, California at the Space Telescope Test Control Center it is used in the preflight testing of the vehicle; and (2) in Greenbelt, Maryland at NASA/Goddard it is being used on an experimental basis in flight operations for health and safety monitoring.

Human motion retrieval from hand-drawn sketch.

PubMed

Chao, Min-Wen; Lin, Chao-Hung; Assa, Jackie; Lee, Tong-Yee

2012-05-01

The rapid growth of motion capture data increases the importance of motion retrieval. The majority of the existing motion retrieval approaches are based on a labor-intensive step in which the user browses and selects a desired query motion clip from the large motion clip database. In this work, a novel sketching interface for defining the query is presented. This simple approach allows users to define the required motion by sketching several motion strokes over a drawn character, which requires less effort and extends the users’ expressiveness. To support the real-time interface, a specialized encoding of the motions and the hand-drawn query is required. Here, we introduce a novel hierarchical encoding scheme based on a set of orthonormal spherical harmonic (SH) basis functions, which provides a compact representation, and avoids the CPU/processing intensive stage of temporal alignment used by previous solutions. Experimental results show that the proposed approach can well retrieve the motions, and is capable of retrieve logically and numerically similar motions, which is superior to previous approaches. The user study shows that the proposed system can be a useful tool to input motion query if the users are familiar with it. Finally, an application of generating a 3D animation from a hand-drawn comics strip is demonstrated.

Model study on transesterification of soybean oil to biodiesel with methanol using solid base catalyst.

PubMed

Liu, Xuejun; Piao, Xianglan; Wang, Yujun; Zhu, Shenlin

2010-03-25

Modeling of the transesterification of vegetable oils to biodiesel using a solid base as a catalyst is very important because the mutual solubilities of oil and methanol will increase with the increasing biodiesel yield. The heterogeneous liquid-liquid-solid reaction system would become a liquid-solid system when the biodiesel reaches a certain content. In this work, we adopted a two-film theory and a steady state approximation assumption, then established a heterogeneous liquid-liquid-solid model in the first stage. After the diffusion coefficients on the liquid-liquid interface and the liquid-solid interface were calculated on the basis of the properties of the system, the theoretical value of biodiesel productivity changing with time was obtained. The predicted values were very near the experimental data, which indicated that the proposed models were suitable for the transesterification of soybean oil to biodiesel when solid bases were used as catalysts. Meanwhile, the model indicated that the transesterification reaction was controlled by both mass transfer and reaction. The total resistance will decrease with the increase in biodiesel yield in the liquid-liquid-solid stage. The solid base catalyst exhibited an activation energy range of 9-20 kcal/mol, which was consistent with the reported activation energy range of homogeneous catalysts.

Observation of interface carrier states in no-common-atom heterostructures ZnSe/BeTe.

PubMed

Gurevich, A S; Kochereshko, V P; Bleuse, J; Mariette, H; Waag, A; Akimoto, R

2011-09-07

The existence of intrinsic carrier interface states in heterostructures with no common atom at the interface (such as ZnSe/BeTe) is shown experimentally by ellipsometry and photoluminescence spectroscopy. These states are located on interfaces and lie inside the effective bandgap of the structure; they are characterized by a high density and a long lifetime. A tight binding model confirms theoretically the existence of these states in ZnSe/BeTe heterostructures for a ZnTe-type interface, in contrast to the case of the BeSe-type interface for which they do not exist.

Observation of interface carrier states in no-common-atom heterostructures ZnSe/BeTe

NASA Astrophysics Data System (ADS)

Gurevich, A. S.; Kochereshko, V. P.; Bleuse, J.; Mariette, H.; Waag, A.; Akimoto, R.

2011-09-01

The existence of intrinsic carrier interface states in heterostructures with no common atom at the interface (such as ZnSe/BeTe) is shown experimentally by ellipsometry and photoluminescence spectroscopy. These states are located on interfaces and lie inside the effective bandgap of the structure; they are characterized by a high density and a long lifetime. A tight binding model confirms theoretically the existence of these states in ZnSe/BeTe heterostructures for a ZnTe-type interface, in contrast to the case of the BeSe-type interface for which they do not exist.

Experimental study of an isochorically heated heterogeneous interface. A progress report

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

Fernandez, Juan Carlos

2015-08-20

Outline of the presentation: Studying possible mix / interface motion between heterogeneous low/high Z interfaces driven by 2-fluid or kinetic plasma effects (Heated to few eV, Sharp (sub µm) interface); Isochoric heating to initialize interface done with Al quasimonoenergetic ion beams on Trident; Have measured isochoric heating in individual materials intended for compound targets; Fielded experiments on Trident to measure interface motion (Gold-diamond, tin-aluminium); Measured heated-sample temperature with streaked optical pyrometry (SOP) (UT Austin led (research contract), SOP tests → heating uniformity Vs thickness on Al foils. Results are being analyzed.

Experimental investigation of the displacement dynamics during biphasic flow in porous media

NASA Astrophysics Data System (ADS)

Ayaz, Monem; Toussaint, Renaud; Måløy, Knut-Jørgen; Schafer, Gerhard

2016-04-01

We experimentally study the interface dynamics of an immiscible fluid as it displaces a fully saturated porous medium. The system is confined by a vertically oriented Hele-Shaw cell, with piezoelectric type acoustic sensors mounted along the centerline. During drainage potential surface energy is stored at the interface up to a given threshold in pressure, at which an instability occurs as new pores are invaded and the radius of curvature of the interface increases locally, the energy gets released, and part of this energy is detectable as acoustic emission. By detecting pore-scale events emanating from the interface at various points, we look to develop techniques for localizing the displacement front. To assess the quality, optical monitoring is done using a high speed camera.In our study we also aim to gain further insight into the interface dynamics by varying parameters such as the effective gravity, and the invasion speed and using other methods of probing the system such as active tomography. We here present our preliminary results of this study.

Understanding biomaterial-tissue interface quality: combined in vitro evaluation

PubMed Central

Gasik, Michael

2017-01-01

Abstract One of the greatest challenges in the development of new medical products and devices remains in providing maximal patient safety, efficacy and suitability for the purpose. A ‘good quality’ of the tissue-implant interface is one of the most critical factors for the success of the implant integration. In this paper this challenge is being discussed from the point of view of basic stimuli combination to experimental testing. The focus is in particular on bacterial effects on tissue-implant interaction (for different materials). The demonstration of the experimental evaluation of the tissue-implant interface is for dental abutment with mucosal contact. This shows that testing of the interface quality could be the most relevant in controlled conditions, which mimic as possible the clinical applications, but consider variables being under the control of the evaluator. PMID:28970865

Experimental investigation on IXV TPS interface effects in Plasmatron

NASA Astrophysics Data System (ADS)

Ceglia, Giuseppe; Trifoni, Eduardo; Gouriet, Jean-Baptiste; Chazot, Olivier; Mareschi, Vincenzo; Rufolo, Giuseppe; Tumino, Giorgio

2016-06-01

An experimental investigation related to the thermal protection system (TPS) interfaces of the intermediate experimental vehicle has been carried out in the Plasmatron facility at the von Karman Institute for fluid dynamics. The objective of this test campaign is to qualify the thermal behaviours of two different TPS interfaces under flight representative conditions in terms of heat flux and integral heat load ( 180 kW/m2 for 700 s). Three test samples are tested in off-stagnation configuration installed on an available flat plate holder under the same test conditions. The first junction is composed of an upstream ceramic matrix composite (CMC) plate and an ablative P50 cork composite block separated by a gap of 2 mm. The second one is made of an upstream P50 block and a downstream ablative SV2A silicon elastomer block with silicon-based filler in between. A sample composed of P50 material is tested in order to obtain reference results without TPS interface effect. The overheating at the CMC-P50 interface due to the jump of the catalytic properties of the materials, and the recession/swelling behaviour of the P50-SV2A interface are under investigation. All the test samples withstand relatively well the imposed heat flux for the test duration. As expected, both the ablative materials undergo a thermal degradation. The P50 exhibits the formation of a porous char layer and its recession; on the other hand, the SV2A swells and forms a fragile char layer.

Equilibrium fluid interface behavior under low- and zero-gravity conditions

NASA Technical Reports Server (NTRS)

Concus, Paul; Finn, Robert

1994-01-01

We describe here some of our recent mathematical work, which forms a basis for the Interface Configuration Experiment scheduled for USML-2. The work relates to the design of apparatus that exploits microgravity conditions for accurate determination of contact angle. The underlying motivation for the procedures rests on a discontinuous dependence of the capillary free surface interface S on the contact angle gamma, in a cylindrical capillary tube whose section (base) omega contains a protruding corner with opening angle 2 alpha. Specifically, in a gravity-free environment, omega can be chosen so that, for all sufficiently large fluid volume, the height of S is uniquely determined as a (single-valued) function mu(x,y) entirely covering the base; the height mu is bounded over omega uniformly in gamma throughout the range absolute value of (gamma -(pion/2)) less than or equal to alpha, while for absolute value of (gamma - (pion/2)) greater than alpha fluid will necessarily move to the corner and uncover the base, rising to infinity (or falling to negative infinity) at the vertex, regardless of volume. We mention here only that procedures based on the phenomenon promise excellent accuracy when gamma is close pion/2 but may be subject to experimental error when gamma is close to zero (orpion), as the 'singular' part of the domain over which the fluid accumulates (or disappears) when a critical angle gamma theta is crossed then becomes very small and may be difficult to observe. We ignore the trivial case gamma is equal to pion/2 (planar free surface), to simplify the discussion.

Interface waves in multilayered plates.

PubMed

Li, Bing; Li, Ming-Hang; Lu, Tong

2018-04-01

In this paper, the characteristic equation of interface waves in multilayered plates is derived. With a reasonable assumption undertaken for the potential functions of longitudinal and shear waves in the nth layer medium, the characteristic equation of interface waves in the N-layered plate is derived and presented in a determinant form. The particle displacement and stress components are further presented in explicit forms. The dispersion curves and wave structures of interface waves in both a three-layered Al-Steel-Ti and a four-layered Steel-Al-Steel-Ti plate are displayed subsequently. It is observed in dispersion curves that obvious dispersion occurs on the low frequency band, whereas the phase velocities converge to the corresponding true Stoneley wave mode velocities at high frequency, and the number of interface wave modes equals the number of interfaces in multilayered plates (if all individual interfaces satisfy the existence condition of Stoneley waves). The wave structures reveal that the displacement components of interface waves are relatively high at interfaces, and the amplitude distribution varies from frequency to frequency. In the end, a similarly structured three-layered Al-Steel-Ti plate is tested. In this experiment, theoretical group velocity and experimental group velocity are compared. According to the discussion and comparison, the predicted group velocities are in good agreement with the experimental results. Thus, the theory of interface wave in multilayered plates is proved. As a result, the proposed theoretical approach represents a leap forward in the understanding of how to promote the characteristic study and practical applications of interface waves in multilayered structures.

DLSanalysis.org: a web interface for analysis of dynamic light scattering data.

PubMed

Hansen, Steen

2018-03-01

A web interface ( www.DLSanalysis.org ) for indirect Laplace transformation of dynamic light scattering data is presented. When experimental data are uploaded to the server they are processed in a few seconds, and the result is displayed on the screen in the form of a size distribution together with the experimental data and the fit to the data. No other user input than the experimental data is necessary, but various options for the analysis may be selected. No local installation of software or registration is necessary. The result of the analysis can be downloaded.

IMS

Atmospheric Science Data Center

2012-11-30

Information Management System An online user interface which provides data and metadata ... on a 24-hour basis; accepts user orders for data; provides information about future data acquision and processing schedules and maintains ...

Implementing TCP/IP and a socket interface as a server in a message-passing operating system

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

Hipp, E.; Wiltzius, D.

1990-03-01

The UNICOS 4.3BSD network code and socket transport interface are the basis of an explicit network server for NLTSS, a message passing operating system on the Cray YMP. A BSD socket user library provides access to the network server using an RPC mechanism. The advantages of this server methodology are its modularity and extensibility to migrate to future protocol suites (e.g. OSI) and transport interfaces. In addition, the network server is implemented in an explicit multi-tasking environment to take advantage of the Cray YMP multi-processor platform. 19 refs., 5 figs.

[Ambient air interference in oxygen intake measurements in liquid incubating media with the use of open polarographic cells].

PubMed

Miniaev, M V; Voronchikhina, L I

2007-01-01

A model of oxygen intake by aerobic bio-objects in liquid incubating media was applied to investigate the influence air-media interface area on accuracy of measuring the oxygen intake and error value. It was shown that intrusion of air oxygen increases the relative error to 24% in open polarographic cells and to 13% in cells with a reduced interface area. Results of modeling passive media oxygenation laid a basis for proposing a method to reduce relative error by 66% for open cells and by 15% for cells with a reduced interface area.

Stability of the Al/TiB2 interface and doping effects of Mg/Si

NASA Astrophysics Data System (ADS)

Deng, Chao; Xu, Ben; Wu, Ping; Li, Qiulin

2017-12-01

The Al/TiB2 interface is of significant importance in controlling the mechanical properties of Al-B4C composites and tuning the heterogeneous nucleation of Al/Si alloys in industry. Its stability and bonding conditions are critical for both purposes. In this paper, the interfacial energies were investigated by first-principles calculations, and the results support the reported grain refinement mechanisms in Al/Si alloys. Moreover, to improve the mechanical properties of the interface, Mg and Si were doped at the interface, and our simulations show that the two interfaces will both weaken after doping Mg/Si, thus the formation of TiB2 is inhibited. As a result, the processability of the Al-B4C composites may be improved. Our results provide a theoretical basis and guidance for practical applications.

Deployment of Shaped Charges by a Semi-Autonomous Ground Vehicle

DTIC Science & Technology

2007-06-01

lives on a daily basis. BigFoot seeks to replace the local human component by deploying and remotely detonating shaped charges to destroy IEDs...robotic arm to deploy and remotely detonate shaped charges. BigFoot incorporates improved communication range over previous Autonomous Ground Vehicles...and an updated user interface that includes controls for the arm and camera by interfacing multiple microprocessors. BigFoot is capable of avoiding

Variational formulation of hybrid problems for fully 3-D transonic flow with shocks in rotor

NASA Technical Reports Server (NTRS)

Liu, Gao-Lian

1991-01-01

Based on previous research, the unified variable domain variational theory of hybrid problems for rotor flow is extended to fully 3-D transonic rotor flow with shocks, unifying and generalizing the direct and inverse problems. Three variational principles (VP) families were established. All unknown boundaries and flow discontinuities (such as shocks, free trailing vortex sheets) are successfully handled via functional variations with variable domain, converting almost all boundary and interface conditions, including the Rankine Hugoniot shock relations, into natural ones. This theory provides a series of novel ways for blade design or modification and a rigorous theoretical basis for finite element applications and also constitutes an important part of the optimal design theory of rotor bladings. Numerical solutions to subsonic flow by finite elements with self-adapting nodes given in Refs., show good agreement with experimental results.

Diameter-dependent wetting of tungsten disulfide nanotubes

PubMed Central

Goldbart, Ohad; Cohen, Sidney R.; Kaplan-Ashiri, Ifat; Glazyrina, Polina; Wagner, H. Daniel; Enyashin, Andrey; Tenne, Reshef

2016-01-01

The simple process of a liquid wetting a solid surface is controlled by a plethora of factors—surface texture, liquid droplet size and shape, energetics of both liquid and solid surfaces, as well as their interface. Studying these events at the nanoscale provides insights into the molecular basis of wetting. Nanotube wetting studies are particularly challenging due to their unique shape and small size. Nonetheless, the success of nanotubes, particularly inorganic ones, as fillers in composite materials makes it essential to understand how common liquids wet them. Here, we present a comprehensive wetting study of individual tungsten disulfide nanotubes by water. We reveal the nature of interaction at the inert outer wall and show that remarkably high wetting forces are attained on small, open-ended nanotubes due to capillary aspiration into the hollow core. This study provides a theoretical and experimental paradigm for this intricate problem. PMID:27856759

Communication: Slow relaxation, spatial mobility gradients, and vitrification in confined films.

PubMed

Mirigian, Stephen; Schweizer, Kenneth S

2014-10-28

Two decades of experimental research indicate that spatial confinement of glass-forming molecular and polymeric liquids results in major changes of their slow dynamics beginning at large confinement distances. A fundamental understanding remains elusive given the generic complexity of activated relaxation in supercooled liquids and the major complications of geometric confinement, interfacial effects, and spatial inhomogeneity. We construct a predictive, quantitative, force-level theory of relaxation in free-standing films for the central question of the nature of the spatial mobility gradient. The key new idea is that vapor interfaces speed up barrier hopping in two distinct, but coupled, ways by reducing near surface local caging constraints and spatially long range collective elastic distortion. Effective vitrification temperatures, dynamic length scales, and mobile layer thicknesses naturally follow. Our results provide a unified basis for central observations of dynamic and pseudo-thermodynamic measurements.

Adsorption properties of biologically active derivatives of quaternary ammonium surfactants and their mixtures at aqueous/air interface. I. Equilibrium surface tension, surfactant aggregation and wettability.

PubMed

Rojewska, Monika; Biadasz, Andrzej; Kotkowiak, Michał; Olejnik, Anna; Rychlik, Joanna; Dudkowiak, Alina; Prochaska, Krystyna

2013-10-01

The adsorption properties of surfactant mixtures containing two types of quaternary derivatives of lysosomotropic substances: alkyl N,N-dimethylalaninates methobromides and alkyl N,N-dimethylglycinates methobromides were studied. Quantitative and qualitative description of the adsorption process was carried out on the basis of experimentally obtained equilibrium surface tension isotherms. The results indicated that most of the systems studied revealed synergistic effect both in adsorption and wetting properties. In vitro studies on human cancer cells were undertaken and the data obtained showed that the mixtures suppressed the cancer cells' proliferation more effectively than individual components. Results of preliminary research on the interaction of catanionic mixtures with phospholipids suggested a possibility of a strong penetration of cell membranes by the mixtures investigated. Copyright © 2013 Elsevier B.V. All rights reserved.

Comparative study of predicted and experimentally detected interplanetary shocks

NASA Astrophysics Data System (ADS)

Kartalev, M. D.; Grigorov, K. G.; Smith, Z.; Dryer, M.; Fry, C. D.; Sun, Wei; Deehr, C. S.

2002-03-01

We compare the real time space weather prediction shock arrival times at 1 AU made by the USAF/NOAA Shock Time of Arrival (STOA) and Interplanetary Shock Propagation Model (ISPM) models, and the Exploration Physics International/University of Alaska Hakamada-Akasofu-Fry Solar Wind Model (HAF-v2) to a real time analysis analysis of plasma and field ACE data. The comparison is made using an algorithm that was developed on the basis of wavelet data analysis and MHD identification procedure. The shock parameters are estimated for selected "candidate events". An appropriate automatically performing Web-based interface periodically utilizes solar wind observations made by the ACE at L1. Near real time results as well an archive of the registered interesting events are available on a specially developed web site. A number of events are considered. These studies are essential for the validation of real time space weather forecasts made from solar data.

Hybrid Circuits with Nanofluidic Diodes and Load Capacitors

NASA Astrophysics Data System (ADS)

Ramirez, P.; Garcia-Morales, V.; Gomez, V.; Ali, M.; Nasir, S.; Ensinger, W.; Mafe, S.

2017-06-01

The chemical and physical input signals characteristic of micro- and nanofluidic devices operating in ionic solutions should eventually be translated into output electric currents and potentials that are monitored with solid-state components. This crucial step requires the design of hybrid circuits showing robust electrical coupling between ionic solutions and electronic elements. We study experimentally and theoretically the connectivity of the nanofluidic diodes in single-pore and multipore membranes with conventional capacitor systems for the cases of constant, periodic, and white-noise input potentials. The experiments demonstrate the reliable operation of these hybrid circuits over a wide range of membrane resistances, electrical capacitances, and solution p H values. The model simulations are based on empirical equations that have a solid physical basis and provide a convenient description of the electrical circuit operation. The results should contribute to advance signal transduction and processing using nanopore-based biosensors and bioelectronic interfaces.

Thermoelectrical generator powered by human body

NASA Astrophysics Data System (ADS)

Almasyova, Zuzana; Vala, David; Slanina, Zdenek; Idzkowski, Adam

2017-08-01

This article deals with the possibility of using alternative energy sources for power of biomedical sensors with low power consumption, especially using the Peltier effect sources. Energy for powering of the target device has been used from the available renewable photovoltaic effect. The work is using of "energy harvesting" or "harvest energy" produced by autonomous generator harvesting accumulate energy. It allows to start working from 0.25 V. Measuring chain consists of further circuit which is a digital monitoring device for monitoring a voltage, current and power with I2C bus interface. Using the Peltier effect was first tested in a thermocontainer with water when the water heating occurred on the basis of different temperature differential between the cold and hot side of the Peltier element result in the production of energy. Realized prototype was also experimentally tested on human skin, specifically on the back, both in idle mode and under load.

Communication: slow relaxation, spatial mobility gradients, and vitrification in confined films

DOE PAGES

Mirigian, Stephen; Schweizer, Kenneth S.

2014-10-31

Two decades of experimental research indicate that spatial confinement of glass-forming molecular and polymeric liquids results in major changes of their slow dynamics beginning at large confinement distances. A fundamental understanding remains elusive given the generic complexity of activated relaxation in supercooled liquids and the major complications of geometric confinement, interfacial effects, and spatial inhomogeneity. For this research, we construct a predictive, quantitative, force-level theory of relaxation in free-standing films for the central question of the nature of the spatial mobility gradient. The key new idea is that vapor interfaces speed up barrier hopping in two distinct, but coupled, waysmore » by reducing near surface local caging constraints and spatially long range collective elastic distortion. Effective vitrification temperatures, dynamic length scales, and mobile layer thicknesses naturally follow. In conclusion, our results provide a unified basis for central observations of dynamic and pseudo-thermodynamic measurements.« less

Numerical simulation of electron beam welding with beam oscillations

NASA Astrophysics Data System (ADS)

Trushnikov, D. N.; Permyakov, G. L.

2017-02-01

This research examines the process of electron-beam welding in a keyhole mode with the use of beam oscillations. We study the impact of various beam oscillations and their parameters on the shape of the keyhole, the flow of heat and mass transfer processes and weld parameters to develop methodological recommendations. A numerical three-dimensional mathematical model of electron beam welding is presented. The model was developed on the basis of a heat conduction equation and a Navier-Stokes equation taking into account phase transitions at the interface of a solid and liquid phase and thermocapillary convection (Marangoni effect). The shape of the keyhole is determined based on experimental data on the parameters of the secondary signal by using the method of a synchronous accumulation. Calculations of thermal and hydrodynamic processes were carried out based on a computer cluster, using a simulation package COMSOL Multiphysics.

Effects of the c-Si/a-SiO2 interfacial atomic structure on its band alignment: an ab initio study.

PubMed

Zheng, Fan; Pham, Hieu H; Wang, Lin-Wang

2017-12-13

The crystalline-Si/amorphous-SiO 2 (c-Si/a-SiO 2 ) interface is an important system used in many applications, ranging from transistors to solar cells. The transition region of the c-Si/a-SiO 2 interface plays a critical role in determining the band alignment between the two regions. However, the question of how this interface band offset is affected by the transition region thickness and its local atomic arrangement is yet to be fully investigated. Here, by controlling the parameters of the classical Monte Carlo bond switching algorithm, we have generated the atomic structures of the interfaces with various thicknesses, as well as containing Si at different oxidation states. A hybrid functional method, as shown by our calculations to reproduce the GW and experimental results for bulk Si and SiO 2 , was used to calculate the electronic structure of the heterojunction. This allowed us to study the correlation between the interface band characterization and its atomic structures. We found that although the systems with different thicknesses showed quite different atomic structures near the transition region, the calculated band offset tended to be the same, unaffected by the details of the interfacial structure. Our band offset calculation agrees well with the experimental measurements. This robustness of the interfacial electronic structure to its interfacial atomic details could be another reason for the success of the c-Si/a-SiO 2 interface in Si-based electronic applications. Nevertheless, when a reactive force field is used to generate the a-SiO 2 and c-Si/a-SiO 2 interfaces, the band offset significantly deviates from the experimental values by about 1 eV.

Effects of the c-Si/a-SiO 2 interfacial atomic structure on its band alignment: an ab initio study

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

Zheng, Fan; Pham, Hieu H.; Wang, Lin-Wang

The crystalline-Si/amorphous-SiO 2 (c-Si/a-SiO 2) interface is an important system used in many applications, ranging from transistors to solar cells. The transition region of the c-Si/a-SiO 2 interface plays a critical role in determining the band alignment between the two regions. However, the question of how this interface band offset is affected by the transition region thickness and its local atomic arrangement is yet to be fully investigated. Here in this study, by controlling the parameters of the classical Monte Carlo bond switching algorithm, we have generated the atomic structures of the interfaces with various thicknesses, as well as containingmore » Si at different oxidation states. A hybrid functional method, as shown by our calculations to reproduce the GW and experimental results for bulk Si and SiO 2, was used to calculate the electronic structure of the heterojunction. This allowed us to study the correlation between the interface band characterization and its atomic structures. We found that although the systems with different thicknesses showed quite different atomic structures near the transition region, the calculated band offset tended to be the same, unaffected by the details of the interfacial structure. Our band offset calculation agrees well with the experimental measurements. This robustness of the interfacial electronic structure to its interfacial atomic details could be another reason for the success of the c-Si/a-SiO 2 interface in Si-based electronic applications. Nevertheless, when a reactive force field is used to generate the a-SiO 2 and c-Si/a-SiO 2 interfaces, the band offset significantly deviates from the experimental values by about 1 eV« less

Effects of the c-Si/a-SiO 2 interfacial atomic structure on its band alignment: an ab initio study

DOE PAGES

Zheng, Fan; Pham, Hieu H.; Wang, Lin-Wang

2017-11-13

The crystalline-Si/amorphous-SiO 2 (c-Si/a-SiO 2) interface is an important system used in many applications, ranging from transistors to solar cells. The transition region of the c-Si/a-SiO 2 interface plays a critical role in determining the band alignment between the two regions. However, the question of how this interface band offset is affected by the transition region thickness and its local atomic arrangement is yet to be fully investigated. Here in this study, by controlling the parameters of the classical Monte Carlo bond switching algorithm, we have generated the atomic structures of the interfaces with various thicknesses, as well as containingmore » Si at different oxidation states. A hybrid functional method, as shown by our calculations to reproduce the GW and experimental results for bulk Si and SiO 2, was used to calculate the electronic structure of the heterojunction. This allowed us to study the correlation between the interface band characterization and its atomic structures. We found that although the systems with different thicknesses showed quite different atomic structures near the transition region, the calculated band offset tended to be the same, unaffected by the details of the interfacial structure. Our band offset calculation agrees well with the experimental measurements. This robustness of the interfacial electronic structure to its interfacial atomic details could be another reason for the success of the c-Si/a-SiO 2 interface in Si-based electronic applications. Nevertheless, when a reactive force field is used to generate the a-SiO 2 and c-Si/a-SiO 2 interfaces, the band offset significantly deviates from the experimental values by about 1 eV« less

V-Shaped Molecular Configuration of Wax Esters of Jojoba Oil in a Langmuir Film Model.

PubMed

Caruso, Benjamín; Martini, M Florencia; Pickholz, Mónica; Perillo, María A

2018-06-19

The aim of the present work was to understand the interfacial properties of a complex mixture of wax esters (WEs) obtained from Jojoba oil (JO). Previously, on the basis of molecular area measurements, a hairpin structure was proposed as the hypothetical configuration of WEs, allowing their organization as compressible monolayers at the air-water interface. In the present work, we contributed with further experimental evidence by combining surface pressure (π), surface potential (Δ V), and PM-IRRAS measurements of JO monolayers and molecular dynamic simulations (MD) on a modified JO model. WEs were self-assembled in Langmuir films. Compression isotherms exhibited π lift-off at 100 Å 2 /molecule mean molecular area ( A lift-off ) and a collapse point at π c ≈ 2.2 mN/m and A c ≈ 77 Å 2 /molecule. The Δ V profile reflected two dipolar reorganizations, with one of them at A > A lift-off due to the release of loosely bound water molecules and another one at A c < A < A lift-off possibly due to reorientations of a more tightly bound water population. This was consistent with the maximal SP value that was calculated according to a model that considered two populations of oriented water and was very close to the experimental value. The orientation of the ester group that was assumed in that calculation was coherent with the PM-IRRAS behavior of the carbonyl group with the C═O oriented toward the water and the C-O oriented parallel to the surface and was in accordance with their orientational angles (∼45 and ∼90°, respectively) determined by MD simulations. Taken together, the present results confirm a V shape rather than a hairpin configuration of WEs at the air-water interface.

Dissolution study of active pharmaceutical ingredients using molecular dynamics simulations with classical force fields

NASA Astrophysics Data System (ADS)

Greiner, Maximilian; Elts, Ekaterina; Schneider, Julian; Reuter, Karsten; Briesen, Heiko

2014-11-01

The CHARMM, general Amber and OPLS force fields are evaluated for their suitability in simulating the molecular dynamics of the dissolution of the hydrophobic, small-molecule active pharmaceutical ingredients aspirin, ibuprofen, and paracetamol in aqueous media. The force fields are evaluated by comparison with quantum chemical simulations or experimental references on the basis of the following capabilities: accurately representing intra- and intermolecular interactions, appropriately reproducing crystal lattice parameters, adequately describing thermodynamic properties, and the qualitative description of the dissolution behavior. To make this approach easily accessible for evaluating the dissolution properties of novel drug candidates in the early stage of drug development, the force field parameter files are generated using online resources such as the SWISS PARAM servers, and the software packages ACPYPE and Maestro. All force fields are found to reproduce the intermolecular interactions with a reasonable degree of accuracy, with the general Amber and CHARMM force fields showing the best agreement with quantum mechanical calculations. A stable crystal bulk structure is obtained for all model substances, except for ibuprofen, where the reproductions of the lattice parameters and observed crystal stability are considerably poor for all force fields. The heat of solution used to evaluate the solid-to-solution phase transitions is found to be in qualitative agreement with the experimental data for all combinations tested, with the results being quantitatively optimum for the general Amber and CHARMM force fields. For aspirin and paracetamol, stable crystal-water interfaces were obtained. The (100), (110), (011) and (001) interfaces of aspirin or paracetamol and water were simulated for each force field for 30 ns. Although generally expected as a rare event, in some of the simulations, dissolution is observed at 310 K and ambient pressure conditions.

Method for determining optimal supercell representation of interfaces

NASA Astrophysics Data System (ADS)

Stradi, Daniele; Jelver, Line; Smidstrup, Søren; Stokbro, Kurt

2017-05-01

The geometry and structure of an interface ultimately determines the behavior of devices at the nanoscale. We present a generic method to determine the possible lattice matches between two arbitrary surfaces and to calculate the strain of the corresponding matched interface. We apply this method to explore two relevant classes of interfaces for which accurate structural measurements of the interface are available: (i) the interface between pentacene crystals and the (1 1 1) surface of gold, and (ii) the interface between the semiconductor indium-arsenide and aluminum. For both systems, we demonstrate that the presented method predicts interface geometries in good agreement with those measured experimentally, which present nontrivial matching characteristics and would be difficult to guess without relying on automated structure-searching methods.

Numerical and Experimental Studies on the Explosive Welding of Tungsten Foil to Copper

PubMed Central

Zhou, Qiang; Feng, Jianrui; Chen, Pengwan

2017-01-01

This work verifies that the W foil could be successfully welded on Cu through conventional explosive welding, without any cracks. The microstructure was observed through scanning electron microscopy (SEM), optical microscopy and energy-dispersive X-ray spectrometry (EDS). The W/Cu interface exhibited a wavy morphology, and no intermetallic or transition layer was observed. The wavy interface formation, as well as the distributions of temperature, pressure and plastic strain at the interface were studied through numerical simulation with Smoothed Particle Hydrodynamics (SPH). The welding mechanism of W/Cu was analyzed according to the numerical results and experimental observation, which was in accordance with the indentation mechanism proposed by Bahrani. PMID:28832527

Molecular Dynamics Study of the Bulk and Interface Properties of Frother and Oil with Saltwater and Air

DOE PAGES

Chong, Leebyn; Lai, Yungchieh; Gray, McMahan; ...

2017-03-15

For water treatment purposes, the separation processes involving surfactants and crude oil at seawater-air interfaces are of importance for chemical and energy industries. Little progress has been made in understanding the nanoscale phenomena of surfactants on oily saltwater-air interfaces. This work focuses on using molecular dynamics with a united-atom force field to simulate the interface of linear alkane oil, saltwater, and air with three surfactant frothers: methyl isobutyl carbinol (MIBC), terpineol, and ethyl glycol butyl ether (EGBE). For each frother, although the calculated diffusivities and viscosities are lower than the expected experimental values, our results showed that diffusivity trends betweenmore » each frother agree with experiments but was not suitable for viscosity. Binary combinations of liquid (frother or saltwater)-air and liquid-liquid interfaces are equilibrated to study the density profiles and interfacial tensions. The calculated surface tensions of the frothers-air interfaces are like that of oil-air, but lower than that of saltwater-air. Only MIBC-air and terpineol-air interfaces agreed with our experimental measurements. For frother-saltwater interfaces, the calculated results showed that terpineol has interfacial tensions higher than those of the MIBC-saltwater. Here, the simulated results indicated that the frother-oil systems underwent mixing such that the density profiles depicted large interfacial thicknesses.« less

Molecular Dynamics Study of the Bulk and Interface Properties of Frother and Oil with Saltwater and Air

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

Chong, Leebyn; Lai, Yungchieh; Gray, McMahan

For water treatment purposes, the separation processes involving surfactants and crude oil at seawater-air interfaces are of importance for chemical and energy industries. Little progress has been made in understanding the nanoscale phenomena of surfactants on oily saltwater-air interfaces. This work focuses on using molecular dynamics with a united-atom force field to simulate the interface of linear alkane oil, saltwater, and air with three surfactant frothers: methyl isobutyl carbinol (MIBC), terpineol, and ethyl glycol butyl ether (EGBE). For each frother, although the calculated diffusivities and viscosities are lower than the expected experimental values, our results showed that diffusivity trends betweenmore » each frother agree with experiments but was not suitable for viscosity. Binary combinations of liquid (frother or saltwater)-air and liquid-liquid interfaces are equilibrated to study the density profiles and interfacial tensions. The calculated surface tensions of the frothers-air interfaces are like that of oil-air, but lower than that of saltwater-air. Only MIBC-air and terpineol-air interfaces agreed with our experimental measurements. For frother-saltwater interfaces, the calculated results showed that terpineol has interfacial tensions higher than those of the MIBC-saltwater. Here, the simulated results indicated that the frother-oil systems underwent mixing such that the density profiles depicted large interfacial thicknesses.« less

Study of silicon crystal surface formation based on molecular dynamics simulation results

NASA Astrophysics Data System (ADS)

Barinovs, G.; Sabanskis, A.; Muiznieks, A.

2014-04-01

The equilibrium shape of <110>-oriented single crystal silicon nanowire, 8 nm in cross-section, was found from molecular dynamics simulations using LAMMPS molecular dynamics package. The calculated shape agrees well to the shape predicted from experimental observations of nanocavities in silicon crystals. By parametrization of the shape and scaling to a known value of {111} surface energy, Wulff form for solid-vapor interface was obtained. The Wulff form for solid-liquid interface was constructed using the same model of the shape as for the solid-vapor interface. The parameters describing solid-liquid interface shape were found using values of surface energies in low-index directions known from published molecular dynamics simulations. Using an experimental value of the liquid-vapor interface energy for silicon and graphical solution of Herring's equation, we constructed angular diagram showing relative equilibrium orientation of solid-liquid, liquid-vapor and solid-vapor interfaces at the triple phase line. The diagram gives quantitative predictions about growth angles for different growth directions and formation of facets on the solid-liquid and solid-vapor interfaces. The diagram can be used to describe growth ridges appearing on the crystal surface grown from a melt. Qualitative comparison to the ridges of a Float zone silicon crystal cone is given.

Optical methods in fault dynamics

NASA Astrophysics Data System (ADS)

Uenishi, K.; Rossmanith, H. P.

2003-10-01

The Rayleigh pulse interaction with a pre-stressed, partially contacting interface between similar and dissimilar materials is investigated experimentally as well as numerically. This study is intended to obtain an improved understanding of the interface (fault) dynamics during the earthquake rupture process. Using dynamic photoelasticity in conjunction with high-speed cinematography, snapshots of time-dependent isochromatic fringe patterns associated with Rayleigh pulse-interface interaction are experimentally recorded. It is shown that interface slip (instability) can be triggered dynamically by a pulse which propagates along the interface at the Rayleigh wave speed. For the numerical investigation, the finite difference wave simulator SWIFD is used for solving the problem under different combinations of contacting materials. The effect of acoustic impedance ratio of the two contacting materials on the wave patterns is discussed. The results indicate that upon interface rupture, Mach (head) waves, which carry a relatively large amount of energy in a concentrated form, can be generated and propagated from the interface contact region (asperity) into the acoustically softer material. Such Mach waves can cause severe damage onto a particular region inside an adjacent acoustically softer area. This type of damage concentration might be a possible reason for the generation of the "damage belt" in Kobe, Japan, on the occasion of the 1995 Hyogo-ken Nanbu (Kobe) Earthquake.

Virtual Diagnostic Interface: Aerospace Experimentation in the Synthetic Environment

NASA Technical Reports Server (NTRS)

Schwartz, Richard J.; McCrea, Andrew C.

2009-01-01

The Virtual Diagnostics Interface (ViDI) methodology combines two-dimensional image processing and three-dimensional computer modeling to provide comprehensive in-situ visualizations commonly utilized for in-depth planning of wind tunnel and flight testing, real time data visualization of experimental data, and unique merging of experimental and computational data sets in both real-time and post-test analysis. The preparation of such visualizations encompasses the realm of interactive three-dimensional environments, traditional and state of the art image processing techniques, database management and development of toolsets with user friendly graphical user interfaces. ViDI has been under development at the NASA Langley Research Center for over 15 years, and has a long track record of providing unique and insightful solutions to a wide variety of experimental testing techniques and validation of computational simulations. This report will address the various aspects of ViDI and how it has been applied to test programs as varied as NASCAR race car testing in NASA wind tunnels to real-time operations concerning Space Shuttle aerodynamic flight testing. In addition, future trends and applications will be outlined in the paper.

Virtual Diagnostic Interface: Aerospace Experimentation in the Synthetic Environment

NASA Technical Reports Server (NTRS)

Schwartz, Richard J.; McCrea, Andrew C.

2010-01-01

The Virtual Diagnostics Interface (ViDI) methodology combines two-dimensional image processing and three-dimensional computer modeling to provide comprehensive in-situ visualizations commonly utilized for in-depth planning of wind tunnel and flight testing, real time data visualization of experimental data, and unique merging of experimental and computational data sets in both real-time and post-test analysis. The preparation of such visualizations encompasses the realm of interactive three-dimensional environments, traditional and state of the art image processing techniques, database management and development of toolsets with user friendly graphical user interfaces. ViDI has been under development at the NASA Langley Research Center for over 15 years, and has a long track record of providing unique and insightful solutions to a wide variety of experimental testing techniques and validation of computational simulations. This report will address the various aspects of ViDI and how it has been applied to test programs as varied as NASCAR race car testing in NASA wind tunnels to real-time operations concerning Space Shuttle aerodynamic flight testing. In addition, future trends and applications will be outlined in the paper.

Usability evaluation of an experimental text summarization system and three search engines: implications for the reengineering of health care interfaces.

PubMed

Kushniruk, Andre W; Kan, Min-Yem; McKeown, Kathleen; Klavans, Judith; Jordan, Desmond; LaFlamme, Mark; Patel, Vimia L

2002-01-01

This paper describes the comparative evaluation of an experimental automated text summarization system, Centrifuser and three conventional search engines - Google, Yahoo and About.com. Centrifuser provides information to patients and families relevant to their questions about specific health conditions. It then produces a multidocument summary of articles retrieved by a standard search engine, tailored to the user's question. Subjects, consisting of friends or family of hospitalized patients, were asked to "think aloud" as they interacted with the four systems. The evaluation involved audio- and video recording of subject interactions with the interfaces in situ at a hospital. Results of the evaluation show that subjects found Centrifuser's summarization capability useful and easy to understand. In comparing Centrifuser to the three search engines, subjects' ratings varied; however, specific interface features were deemed useful across interfaces. We conclude with a discussion of the implications for engineering Web-based retrieval systems.

A comparison study of visually stimulated brain-computer and eye-tracking interfaces

NASA Astrophysics Data System (ADS)

Suefusa, Kaori; Tanaka, Toshihisa

2017-06-01

Objective. Brain-computer interfacing (BCI) based on visual stimuli detects the target on a screen on which a user is focusing. The detection of the gazing target can be achieved by tracking gaze positions with a video camera, which is called eye-tracking or eye-tracking interfaces (ETIs). The two types of interface have been developed in different communities. Thus, little work on a comprehensive comparison between these two types of interface has been reported. This paper quantitatively compares the performance of these two interfaces on the same experimental platform. Specifically, our study is focused on two major paradigms of BCI and ETI: steady-state visual evoked potential-based BCIs and dwelling-based ETIs. Approach. Recognition accuracy and the information transfer rate were measured by giving subjects the task of selecting one of four targets by gazing at it. The targets were displayed in three different sizes (with sides 20, 40 and 60 mm long) to evaluate performance with respect to the target size. Main results. The experimental results showed that the BCI was comparable to the ETI in terms of accuracy and the information transfer rate. In particular, when the size of a target was relatively small, the BCI had significantly better performance than the ETI. Significance. The results on which of the two interfaces works better in different situations would not only enable us to improve the design of the interfaces but would also allow for the appropriate choice of interface based on the situation. Specifically, one can choose an interface based on the size of the screen that displays the targets.

Interface toughness of a zirconia-veneer system and the effect of a liner application.

PubMed

Wang, Gaoqi; Zhang, Song; Bian, Cuirong; Kong, Hui

2014-09-01

Chipping of veneering porcelain and delamination of a zirconia-veneer interface are 2 common clinical failure modes for zirconia-based restorations and may be partially due to weak interface bonding. The effect of liner on the bond strength of the interface has not been clearly identified. The purpose of the research was to evaluate the interface toughness between the zirconia core and veneering porcelain by means of a fracture mechanics test and to assess the effect of liner on the bond strength of the interface. Thirty bilayered beam-shape specimens were prepared and divided into 2 groups according to liner application. The specimens in each group were subdivided into 3 subgroups in accordance with 3 different veneer thicknesses. A fracture mechanics test was used on each specimen, and the energy release rate, G, and phase angle, ψ, were calculated according to the experimental results. A video microscope was used to monitor the crack propagation, and a scanning electron microscope was used to identify the fracture mode after testing. Two-way ANOVA and the Tukey honestly significant difference test were performed to analyze the experimental data (α=.05) . At each phase angle, the interfaces without a liner had higher mean G values than the interfaces with a liner. Both of the interfaces showed mixed failure mode with thin layers of a veneer or a liner that remained on the zirconia surfaces. Liner application before veneering reduced the interface toughness between zirconia and veneer. Copyright © 2014 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Team Oriented Robotic Exploration Task on Scorpion and K9 Platforms

NASA Technical Reports Server (NTRS)

Kirchner, Frank

2003-01-01

This final report describes the achievements that have been made in the project over the complete period of performance. The technical progress highlights the different areas of work in terms of Progress in Mechatronics, Sensor integration, Software Development. User Interfaces, Behavior Development and Experimental Results and System Testing. The different areas are: Mechatronics, Sensor integration, Software development, Experimental results and Basic System Testing, Behaviors Development and Advanced System Testing, User Interface and Wireless Communication.

Interface Pattern Selection Criterion for Cellular Structures in Directional Solidification

NASA Technical Reports Server (NTRS)

Trivedi, R.; Tewari, S. N.; Kurtze, D.

1999-01-01

The aim of this investigation is to establish key scientific concepts that govern the selection of cellular and dendritic patterns during the directional solidification of alloys. We shall first address scientific concepts that are crucial in the selection of interface patterns. Next, the results of ground-based experimental studies in the Al-4.0 wt % Cu system will be described. Both experimental studies and theoretical calculations will be presented to establish the need for microgravity experiments.

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

Fujiwara, K., E-mail: ku.fujiwara@screen.co.jp; Department of Mechanical Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871; Shibahara, M., E-mail: siba@mech.eng.osaka-u.ac.jp

A classical molecular dynamics simulation was conducted for a system composed of fluid molecules between two planar solid surfaces, and whose interactions are described by the 12-6 Lennard-Jones form. This paper presents a general description of the pressure components and interfacial tension at a fluid-solid interface obtained by the perturbative method on the basis of statistical thermodynamics, proposes a method to consider the pressure components tangential to an interface which are affected by interactions with solid atoms, and applies this method to the calculation system. The description of the perturbative method is extended to subsystems, and the local pressure componentsmore » and interfacial tension at a liquid-solid interface are obtained and examined in one- and two-dimensions. The results are compared with those obtained by two alternative methods: (a) an evaluation of the intermolecular force acting on a plane, and (b) the conventional method based on the virial expression. The accuracy of the numerical results is examined through the comparison of the results obtained by each method. The calculated local pressure components and interfacial tension of the fluid at a liquid-solid interface agreed well with the results of the two alternative methods at each local position in one dimension. In two dimensions, the results showed a characteristic profile of the tangential pressure component which depended on the direction tangential to the liquid-solid interface, which agreed with that obtained by the evaluation of the intermolecular force acting on a plane in the present study. Such good agreement suggests that the perturbative method on the basis of statistical thermodynamics used in this study is valid to obtain the local pressure components and interfacial tension at a liquid-solid interface.« less

Influence of interface layer preparation on the electrical and spectral characteristics of GaN/Si solar cells

NASA Astrophysics Data System (ADS)

Shugurov, K. U.; Mozharov, A. M.; Sapunov, G. A.; Fedorov, V. V.; Bolshakov, A. D.; Mukhin, I. S.

2018-03-01

Volt-ampere and spectral characteristics of GaN/Si solar cell samples differing in interface layer preparation are obtained and analyzed. External quantum efficiency curves are experimentally determined via excitation with a 532 nm incident radiation wavelength. It is demonstrated that interface preparation has a significant influence on photovoltaic characteristics of the studied samples.

Clitic-Doubled Left Dislocation and Focus Fronting in L2 Spanish: A Case of Successful Acquisition at the Syntax-Discourse Interface

ERIC Educational Resources Information Center

Slabakova, Roumyana; Kempchinsky, Paula; Rothman, Jason

2012-01-01

This experimental study tests the Interface Hypothesis by looking into processes at the syntax-discourse interface, teasing apart acquisition of syntactic, semantic and discourse knowledge. Adopting Lopez's (2009) pragmatic features [[plus or minus]a(naphor)] and [[plus or minus]c(ontrast)], which in combination account for the constructions of…

Experimental and Numerical Study of the Evaporation of Water at Low Pressures.

PubMed

Kazemi, Mohammad Amin; Nobes, David S; Elliott, Janet A W

2017-05-09

Although evaporation is considered to be a surface phenomenon, the rate of molecular transport across a liquid-vapor boundary is strongly dependent on the coupled fluid dynamics and heat transfer in the bulk fluids. Recent experimental thermocouple measurements of the temperature field near the interface of evaporating water into its vapor have begun to show the role of heat transfer in evaporation. However, the role of fluid dynamics has not been explored sufficiently. Here, we have developed a mathematical model to describe the coupling of the heat, mass, and momentum transfer in the fluids with the transport phenomena at the interface. The model was used to understand the experimentally obtained velocity field in the liquid and temperature profiles in the liquid and vapor, in evaporation from a concave meniscus for various vacuum pressures. By using the model, we have shown that an opposing buoyancy flow suppressed the thermocapillary flow in the liquid during evaporation at low pressures in our experiments. As such, in the absence of thermocapillary convection, the evaporation is controlled by heat transfer to the interface, and the predicted behavior of the system is independent of choosing between the existing theoretical expressions for evaporation flux. Furthermore, we investigated the temperature discontinuity at the interface and confirmed that the discontinuity strongly depends on the heat flux from the vapor side, which depends on the geometrical shape of the interface.

Monte Carlo characterization of materials for prosthetic implants and dosimetric validation of Pinnacle 3 TPS

NASA Astrophysics Data System (ADS)

Palleri, Francesca; Baruffaldi, Fabio; Angelini, Anna Lisa; Ferri, Andrea; Spezi, Emiliano

2008-12-01

In external beam radiotherapy the calculation of dose distribution for patients with hip prostheses is critical. Metallic implants not only degrade the image quality but also perturb the dose distribution. Conventional treatment planning systems do not accurately account for high-Z prosthetic implants heterogeneities, especially at interfaces. The materials studied in this work have been chosen on the basis of a statistical investigation on the hip prostheses implanted in 70 medical centres. The first aim of this study is a systematic characterization of materials used for hip prostheses, and it has been provided by BEAMnrc Monte Carlo code. The second aim is to evaluate the capabilities of a specific treatment planning system, Pinnacle 3, when dealing with dose calculations in presence of metals, also close to the regions of high-Z gradients. In both cases it has been carried out an accurate comparison versus experimental measurements for two clinical photon beam energies (6 MV and 18 MV) and for two experimental sets-up: metallic cylinders inserted in a water phantom and in a specifically built PMMA slab. Our results show an agreement within 2% between experiments and MC simulations. TPS calculations agree with experiments within 3%.

Thermal transport across metal silicide-silicon interfaces: First-principles calculations and Green's function transport simulations

NASA Astrophysics Data System (ADS)

Sadasivam, Sridhar; Ye, Ning; Feser, Joseph P.; Charles, James; Miao, Kai; Kubis, Tillmann; Fisher, Timothy S.

2017-02-01

Heat transfer across metal-semiconductor interfaces involves multiple fundamental transport mechanisms such as elastic and inelastic phonon scattering, and electron-phonon coupling within the metal and across the interface. The relative contributions of these different transport mechanisms to the interface conductance remains unclear in the current literature. In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of the different scattering mechanisms to the thermal interface conductance of epitaxial CoSi2-Si interfaces. An important development in the present work is the direct computation of interfacial bonding from density functional perturbation theory (DFPT) and hence the avoidance of commonly used "mixing rules" to obtain the cross-interface force constants from bulk material force constants. Another important algorithmic development is the integration of the recursive Green's function (RGF) method with Büttiker probe scattering that enables computationally efficient simulations of inelastic phonon scattering and its contribution to the thermal interface conductance. First-principles calculations of electron-phonon coupling reveal that cross-interface energy transfer between metal electrons and atomic vibrations in the semiconductor is mediated by delocalized acoustic phonon modes that extend on both sides of the interface, and phonon modes that are localized inside the semiconductor region of the interface exhibit negligible coupling with electrons in the metal. We also provide a direct comparison between simulation predictions and experimental measurements of thermal interface conductance of epitaxial CoSi2-Si interfaces using the time-domain thermoreflectance technique. Importantly, the experimental results, performed across a wide temperature range, only agree well with predictions that include all transport processes: elastic and inelastic phonon scattering, electron-phonon coupling in the metal, and electron-phonon coupling across the interface.

Experimental study of the caprock / cement interface under CO2 geological storage conditions

NASA Astrophysics Data System (ADS)

Jobard, Emmanuel; Sterpenich, Jérôme; Pironon, Jacques; Randi, Aurélien; Caumon, Marie-Camille

2013-04-01

In the framework of CO2 geological storage, one of the critical point leading to possible massive CO2 leakages is the behavior of the interfaces crossed by the injection well. The lack of relevant data on the behavior of these interfaces (rock/well materials) in the presence of CO2 under high pressure and temperature conditions led to the development of a new experimental model called "Sandwich". These batch experiments consisted in putting a caprock (Callovo-Oxfordian claystone of the Paris Basin) in contact with cement (Portland class G) in the presence of supercritical CO2 with or without aqueous solution. The new experimental device was designed in order to follow the evolution of a clayey caprock, a Portland cement and their interface submitted to the acidic attack of carbonic acid through a study of the initial and final states. This model should help to document the behavior of interfaces in the proximal zone at the injection site. After one month of ageing at 80° C under 100 bar of CO2 pressure, the caprock, the cement and the interface between caprock and cement are investigated thanks to SEM, cathodoluminescence and Raman spectrometry. The main results reveal i) the influence of the presence of an aqueous solution since the carbonation mechanisms are quite different under dry and wet atmospheres, ii) the good cohesion of the different interfaces despite the carbonation of the cement, iii) the precipitation of different carbonate phases, which relates the changes in the chemistry of the solution to time, iv) the enrichment of silica in the cement phase submitted to the action of CO2 putting into evidence new mechanisms of in situ silica re-condensation, v) the very good behavior of the caprock despite the alkaline flux from cement and the acidic attack from the dissolved CO2. These experimental results will be compared to those obtained by geochemical simulations performed with PHREEQC. This study was financially supported by the French agency ANR (ANR-08-PCO2-006).

Modeling of the Nonlinear Interface in Reinforced Concrete

NASA Astrophysics Data System (ADS)

Curiel Sosa, J. L.

2010-04-01

This article presents a novel scheme for modeling of reinforced concrete. The strategy takes into account the nonlinear behavior of the concrete as well as the debonding in the interface. The proposed technique solves the kinematic and kinetic jump in the interface by performing sub-cycles over the constituents-reinforcing bar and concrete-jointly with an innovative interface constitutive law. Application to pull-out problems is performed to show the capabilities of the proposed methodology by means of comparison with available experimental data.

Electrowetting-actuated zoom lens with spherical-interface liquid lenses.

PubMed

Peng, Runling; Chen, Jiabi; Zhuang, Songlin

2008-11-01

The interface shape of two immiscible liquids in a conical chamber is discussed. The analytical solution of the differential equation describing the interface shape shows that the interface shape is completely spherical when the density difference of two liquids is zero. On the basis of the spherical-interface shape and an energy-minimization method, explicit calculations and detailed analyses of an extended Young-type equation for the conical double-liquid lens are given. Finally, a novel design of a zoom lens system without motorized movements is proposed. The lens system consists of a fixed lens and two conical double-liquid variable-focus lenses. The structure and principle of the lens system are introduced in this paper. Taking finite objects as example, detailed calculations and simulation examples are presented to predict how two liquid lenses are related to meet the basic requirements of zoom lenses.

Facet‐Engineered Surface and Interface Design of Photocatalytic Materials

PubMed Central

Wang, Lili; Li, Zhengquan

2016-01-01

The facet‐engineered surface and interface design for photocatalytic materials has been proven as a versatile approach to enhance their photocatalytic performance. This review article encompasses some recent advances in the facet engineering that has been performed to control the surface of mono‐component semiconductor systems and to design the surface and interface structures of multi‐component heterostructures toward photocatalytic applications. The review begins with some key points which should receive attention in the facet engineering on photocatalytic materials. We then discuss the synthetic approaches to achieve the facet control associated with the surface and interface design. In the following section, the facet‐engineered surface design on mono‐component photocatalytic materials is introduced, which forms a basis for the discussion on more complex systems. Subsequently, we elucidate the facet‐engineered surface and interface design of multi‐component photocatalytic materials. Finally, the existing challenges and future prospects are discussed. PMID:28105398

Modeling ferroelectric film properties and size effects from tetragonal interlayer in Hf1-xZrxO2 grains

NASA Astrophysics Data System (ADS)

Künneth, Christopher; Materlik, Robin; Kersch, Alfred

2017-05-01

Size effects from surface or interface energy play a pivotal role in stabilizing the ferroelectric phase in recently discovered thin film Zirconia-Hafnia. However, sufficient quantitative understanding has been lacking due to the interference with the stabilizing effect from dopants. For the important class of undoped Hf1-xZrxO2, a phase stability model based on free energy from Density functional theory (DFT) and surface energy values adapted to the sparse experimental and theoretical data has been successful to describe key properties of the available thin film data. Since surfaces and interfaces are prone to interference, the predictive capability of the model is surprising and directs to a hitherto undetected, underlying reason. New experimental data hint on the existence of an interlayer on the grain surface fixed in the tetragonal phase possibly shielding from external influence. To explore the consequences of such a mechanism, we develop an interface free energy model to include the fixed interlayer, generalize the grain model to include a grain radius distribution, calculate average polarization and permittivity, and compare the model with available experimental data. Since values for interface energies are sparse or uncertain, we obtain its values from minimizing the least square difference between predicted key parameters to experimental data in a global optimization. Since the detailed values for DFT energies depend on the chosen method, we repeat the search for different computed data sets and come out with quantitatively different but qualitatively consistent values for interface energies. The resulting values are physically very reasonable and the model is able to give qualitative prediction. On the other hand, the optimization reveals that the model is not able to fully capture the experimental data. We discuss possible physical effects and directions of research to possibly close this gap.

Thermal transport across metal silicide-silicon interfaces: An experimental comparison between epitaxial and nonepitaxial interfaces

NASA Astrophysics Data System (ADS)

Ye, Ning; Feser, Joseph P.; Sadasivam, Sridhar; Fisher, Timothy S.; Wang, Tianshi; Ni, Chaoying; Janotti, Anderson

2017-02-01

Silicides are used extensively in nano- and microdevices due to their low electrical resistivity, low contact resistance to silicon, and their process compatibility. In this work, the thermal interface conductance of TiSi2, CoSi2, NiSi, and PtSi are studied using time-domain thermoreflectance. Exploiting the fact that most silicides formed on Si(111) substrates grow epitaxially, while most silicides on Si(100) do not, we study the effect of epitaxy, and show that for a wide variety of interfaces there is no dependence of interface conductance on the detailed structure of the interface. In particular, there is no difference in the thermal interface conductance between epitaxial and nonepitaxial silicide/silicon interfaces, nor between epitaxial interfaces with different interface orientations. While these silicide-based interfaces yield the highest reported interface conductances of any known interface with silicon, none of the interfaces studied are found to operate close to the phonon radiation limit, indicating that phonon transmission coefficients are nonunity in all cases and yet remain insensitive to interfacial structure. In the case of CoSi2, a comparison is made with detailed computational models using (1) full-dispersion diffuse mismatch modeling (DMM) including the effect of near-interfacial strain, and (2) an atomistic Green' function (AGF) approach that integrates near-interface changes in the interatomic force constants obtained through density functional perturbation theory. Above 100 K, the AGF approach significantly underpredicts interface conductance suggesting that energy transport does not occur purely by coherent transmission of phonons, even for epitaxial interfaces. The full-dispersion DMM closely predicts the experimentally observed interface conductances for CoSi2, NiSi, and TiSi2 interfaces, while it remains an open question whether inelastic scattering, cross-interfacial electron-phonon coupling, or other mechanisms could also account for the high-temperature behavior. The effect of degenerate semiconductor dopant concentration on metal-semiconductor thermal interface conductance was also investigated with the result that we have found no dependencies of the thermal interface conductances up to (n or p type) ≈1 ×1019 cm-3, indicating that there is no significant direct electronic transport and no transport effects that depend on long-range metal-semiconductor band alignment.

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport in Low Gravity

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Ramachandran, N.

2013-01-01

Crystals of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, will be grown by physical vapor transport in the Material Science Research Rack (MSRR) on International Space Station (ISS). The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

Fatigue Debonding of the Roughened Stem–Cement Interface: Effects of Surface Roughness and Stem Heating Conditions

PubMed Central

Damron, Leatha A.; Kim, Do-Gyoon; Mann, Kenneth A.

2007-01-01

The aim of this study was to determine the effects of cyclic loading on the debond process of a roughened stem– cement interface used in total hip arthroplasty. The specific goals were to assess the effects of two surgeon-controlled variables (stem heating and degree of stem surface roughness) and to determine if an independent finite element-based fracture mechanics model could be used to predict the debond response. A clamped cantilever beam geometry was used to determine the fatigue debond response of the stem– cement interface and was created using an experimental mold that simulated in vivo cementing conditions. A second experiment was performed using a torsion-loading model representative of the stem– cement–bone composite. For both experiments, two stem heating (room temperature and 50°C) and surface roughness conditions (grit blasted: Ra = 2.3 and 5.1 μm) were used. Finally, a finite element model of the torsion experiment with provision for crack growth was developed and compared with the experimental results. Results from both experiments revealed that neither stem preheating nor use of a stem with a greater surface roughness had a marked effect on the fatigue debond response. There was substantial variability in the debond response for all cases; this may be due to microscopic gaps at the interface for all interface conditions. The debond rate from the finite element simulation (10−7.31 m/cycle) had a magnitude similar to the experimental torsion model (10− (6.77 ± 1.25) m/cycle). This suggests that within the context of the experimental conditions studied here that the debond response could be assessed using a linear elastic fracture mechanics-type approach. PMID:16292769

A theoretical model and phase field simulation on the evolution of interface roughness in the oxidation process

NASA Astrophysics Data System (ADS)

Yang, Fan; Fang, Dai-Ning; Liu, Bin

2012-01-01

An oxidation kinetics model is developed to account for the effects of the oxidation interface curvature and the oxidation-induced volume change or Pilling-Bedworth ratio. For the oxidation of Fe-Cr-Al-Y alloy fiber, the predictions agree well with experimental results. By considering the influence of the oxidation interface curvature on oxidation rates, the evolution of fluctuant oxidation interface is predicted. We also developed the phase field method (PFM) to simulate the evolution of the interface roughness. Both the theoretical model and the PFM results show that the interface will become smooth during high temperature oxidation. Stress distribution and evolution are calculated by PFM, which indicates that the stress level decreases as the interface morphology evolves.

A new apparatus for testing the delayed mechanical behaviour of interfaces: The Shearing Interfaces Creep box (SInC box)

NASA Astrophysics Data System (ADS)

Stavropoulou, Eleni; Briffaut, Matthieu; Dufour, Frédéric; Camps, Guillaume; Boulon, Marc

2017-06-01

A new experimental apparatus is presented for testing the time-dependent behaviour of interfaces, including in particular interfaces of geomaterials, under constant loading. This apparatus allows the application of two orthogonal loads normal and tangential to the mean plane of the interface, as well as the measurement of the axial and tangential relative displacements. The sample is moulded inside two half shear boxes and the system is designed in such a way that the shear force is applied along the mean plane of the interface. Some preliminary testing was carried out on a clay rock/concrete interface, under a controlled temperature environment. Preliminary results are presented, showing the evolution of the delayed displacements.

Reaction of amorphous/crystalline SiOC/Fe interfaces by thermal annealing

DOE PAGES

Su, Qing; Zhernenkov, Mikhail; Ding, Hepeng; ...

2017-06-12

The development of revolutionary new alloys and composites is crucial to meeting materials requirements for next generation nuclear reactors. The newly developed amorphous silicon oxycarbide (SiOC) and crystalline Fe composite system has shown radiation tolerance over a wide range of temperatures. To advance understanding of this new composite, we investigate the structure and thermal stability of the interface between amorphous SiOC and crystalline Fe by combining various experimental techniques and simulation methods. We show that the SiOC/Fe interface is thermally stable up to at least 400 °C. When the annealing temperature reaches 600 °C, an intermixed region forms at thismore » interface. This region appears to be a crystalline phase that forms an incoherent interface with the Fe layer. Density functional theory (DFT) Molecular dynamics (MD) is performed on the homogeneous SiFeOC phase to study the early stages of 2 formation of the intermixed layer. Both experimental and simulation results suggest this phase has the fayalite crystal structure. As a result, the physical processes involved in the formation of the intermixed region are discussed.« less

Chalcogenide-based van der Waals epitaxy: Interface conductivity of tellurium on Si(111)

NASA Astrophysics Data System (ADS)

Lüpke, Felix; Just, Sven; Bihlmayer, Gustav; Lanius, Martin; Luysberg, Martina; Doležal, Jiří; Neumann, Elmar; Cherepanov, Vasily; Ošt'ádal, Ivan; Mussler, Gregor; Grützmacher, Detlev; Voigtländer, Bert

2017-07-01

We present a combined experimental and theoretical analysis of a Te rich interface layer which represents a template for chalcogenide-based van der Waals epitaxy on Si(111). On a clean Si(111)-(1 ×1 ) surface, we find Te to form a Te/Si(111)-(1 ×1 ) reconstruction to saturate the substrate bonds. A problem arising is that such an interface layer can potentially be highly conductive, undermining the applicability of the on-top grown films in electric devices. We perform here a detailed structural analysis of the pristine Te termination and present direct measurements of its electrical conductivity by in situ distance-dependent four-probe measurements. The experimental results are analyzed with respect to density functional theory calculations and the implications of the interface termination with respect to the electrical conductivity of chalcogenide-based topological insulator thin films are discussed. In detail, we find a Te/Si(111)-(1 ×1 ) interface conductivity of σ2D Te=2.6 (5 ) ×10-7S /□ , which is small compared to the typical conductivity of topological surface states.

Interfacing external sensors with Android smartphones through near field communication

NASA Astrophysics Data System (ADS)

Leikanger, Tore; Häkkinen, Juha; Schuss, Christian

2017-04-01

In this paper, we present and evaluate a new approach to communicate with inter-integrated circuit (I2C) enabled circuits such as sensors over near field communication (NFC). The NFC-to-I2C interface was designed using a non-standard NFC command to control the I2C bus directly from a smartphone, which was controlling both, the read and write operations on the I2C bus. The NFC-to-I2C interface was reporting back the data bytes on the bus to the smartphone when the transaction was completed successfully. The proposed system was tested experimentally, both, with write and read requests to a commercial microcontroller featuring a hardware I2C port, as well as reading a commercial I2C enabled humidity and temperature sensor. We present experimental results of the system which show that our approach enables an easy interface between smartphones and external sensors. Interfacing external sensors is useful and beneficial for smartphone users, especially, if certain types of sensors are not available on smartphones.

Towards sub-nanometer real-space observation of spin and orbital magnetism at the Fe/MgO interface

PubMed Central

Thersleff, Thomas; Muto, Shunsuke; Werwiński, Mirosław; Spiegelberg, Jakob; Kvashnin, Yaroslav; Hjӧrvarsson, Björgvin; Eriksson, Olle; Rusz, Ján; Leifer, Klaus

2017-01-01

While the performance of magnetic tunnel junctions based on metal/oxide interfaces is determined by hybridization, charge transfer, and magnetic properties at the interface, there are currently only limited experimental techniques with sufficient spatial resolution to directly observe these effects simultaneously in real-space. In this letter, we demonstrate an experimental method based on Electron Magnetic Circular Dichroism (EMCD) that will allow researchers to simultaneously map magnetic transitions and valency in real-space over interfacial cross-sections with sub-nanometer spatial resolution. We apply this method to an Fe/MgO bilayer system, observing a significant enhancement in the orbital to spin moment ratio that is strongly localized to the interfacial region. Through the use of first-principles calculations, multivariate statistical analysis, and Electron Energy-Loss Spectroscopy (EELS), we explore the extent to which this enhancement can be attributed to emergent magnetism due to structural confinement at the interface. We conclude that this method has the potential to directly visualize spin and orbital moments at buried interfaces in magnetic systems with unprecedented spatial resolution. PMID:28338011

Reconstruction of phonon relaxation times from systems featuring interfaces with unknown properties

NASA Astrophysics Data System (ADS)

Forghani, Mojtaba; Hadjiconstantinou, Nicolas G.

2018-05-01

We present a method for reconstructing the phonon relaxation-time function τω=τ (ω ) (including polarization) and associated phonon free-path distribution from thermal spectroscopy data for systems featuring interfaces with unknown properties. Our method does not rely on the effective thermal-conductivity approximation or a particular physical model of the interface behavior. The reconstruction is formulated as an optimization problem in which the relaxation times are determined as functions of frequency by minimizing the discrepancy between the experimentally measured temperature profiles and solutions of the Boltzmann transport equation for the same system. Interface properties such as transmissivities are included as unknowns in the optimization; however, because for the thermal spectroscopy problems considered here the reconstruction is not very sensitive to the interface properties, the transmissivities are only approximately reconstructed and can be considered as byproducts of the calculation whose primary objective is the accurate determination of the relaxation times. The proposed method is validated using synthetic experimental data obtained from Monte Carlo solutions of the Boltzmann transport equation. The method is shown to remain robust in the presence of uncertainty (noise) in the measurement.

Towards sub-nanometer real-space observation of spin and orbital magnetism at the Fe/MgO interface

NASA Astrophysics Data System (ADS)

Thersleff, Thomas; Muto, Shunsuke; Werwiński, Mirosław; Spiegelberg, Jakob; Kvashnin, Yaroslav; Hjӧrvarsson, Björgvin; Eriksson, Olle; Rusz, Ján; Leifer, Klaus

2017-03-01

While the performance of magnetic tunnel junctions based on metal/oxide interfaces is determined by hybridization, charge transfer, and magnetic properties at the interface, there are currently only limited experimental techniques with sufficient spatial resolution to directly observe these effects simultaneously in real-space. In this letter, we demonstrate an experimental method based on Electron Magnetic Circular Dichroism (EMCD) that will allow researchers to simultaneously map magnetic transitions and valency in real-space over interfacial cross-sections with sub-nanometer spatial resolution. We apply this method to an Fe/MgO bilayer system, observing a significant enhancement in the orbital to spin moment ratio that is strongly localized to the interfacial region. Through the use of first-principles calculations, multivariate statistical analysis, and Electron Energy-Loss Spectroscopy (EELS), we explore the extent to which this enhancement can be attributed to emergent magnetism due to structural confinement at the interface. We conclude that this method has the potential to directly visualize spin and orbital moments at buried interfaces in magnetic systems with unprecedented spatial resolution.

The Role of Perceived User-Interface Design in Continued Usage Intention of Self-Paced E-Learning Tools

ERIC Educational Resources Information Center

Cho, Vincent; Cheng, T. C. Edwin; Lai, W. M. Jennifer

2009-01-01

While past studies on user-interface design focused on a particular system or application using the experimental approach, we propose a theoretical model to assess the impact of perceived user-interface design (PUID) on continued usage intention (CUI) of self-paced e-learning tools in general. We argue that the impact of PUID is mediated by two…

Experimental and theoretical analysis of integrated circuit (IC) chips on flexible substrates subjected to bending

NASA Astrophysics Data System (ADS)

Chen, Ying; Yuan, Jianghong; Zhang, Yingchao; Huang, Yonggang; Feng, Xue

2017-10-01

The interfacial failure of integrated circuit (IC) chips integrated on flexible substrates under bending deformation has been studied theoretically and experimentally. A compressive buckling test is used to impose the bending deformation onto the interface between the IC chip and the flexible substrate quantitatively, after which the failed interface is investigated using scanning electron microscopy. A theoretical model is established based on the beam theory and a bi-layer interface model, from which an analytical expression of the critical curvature in relation to the interfacial failure is obtained. The relationships between the critical curvature, the material, and the geometric parameters of the device are discussed in detail, providing guidance for future optimization flexible circuits based on IC chips.

Micro-cooler enhancements by barrier interface analysis

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

Stephen, A.; Dunn, G. M.; Glover, J.

A novel gallium arsenide (GaAs) based micro-cooler design, previously analysed both experimentally and by an analytical Heat Transfer (HT) model, has been simulated using a self-consistent Ensemble Monte Carlo (EMC) model for a more in depth analysis of the thermionic cooling in the device. The best fit to the experimental data was found and was used in conjunction with the HT model to estimate the cooler-contact resistance. The cooling results from EMC indicated that the cooling power of the device is highly dependent on the charge distribution across the leading interface. Alteration of this charge distribution via interface extensions onmore » the nanometre scale has shown to produce significant changes in cooler performance.« less

Molecular dynamics simulations of amphiphilic graft copolymer molecules at a water/air interface.

PubMed

Anderson, Philip M; Wilson, Mark R

2004-11-01

Fully atomistic molecular dynamics simulations of amphiphilic graft copolymer molecules have been performed at a range of surface concentrations at a water/air interface. These simulations are compared to experimental results from a corresponding system over a similar range of surface concentrations. Neutron reflectivity data calculated from the simulation trajectories agrees well with experimentally acquired profiles. In particular, excellent agreement in neutron reflectivity is found for lower surface concentration simulations. A simulation of a poly(ethylene oxide) (PEO) chain in aqueous solution has also been performed. This simulation allows the conformational behavior of the free PEO chain and those tethered to the interface in the previous simulations to be compared. (c) 2004 American Institute of Physics.

Application of power transistors to residential and intermediate rating photovoltaic array power conditioners

NASA Astrophysics Data System (ADS)

Steigerwald, R. L.; Ferraro, A.; Turnbull, F. G.

1983-04-01

Power conditioning systems that interface with photovoltaic arrays are presently investigated for the cases of 5-30 kW residential systems interfacing with a 240-V single-phase utility connection, and 30-200 kW intermediate systems interfacing with a 480-V three-phase utility connection. Both systems require an isolation transformer between the array and the utility interface. A tradeoff study is conducted for numerous transistor and thyristor circuits and configurations, with weighting criteria that include full- and part-load efficiency, size, weight, reliability, ease of control, injected harmonics, reactive power requirements, and parts cost. On the basis of study results, a 10-kW high frequency transistor inverter feeding a high frequency isolation transformer with a sinusoidally shaped current wave was selected.

Silicon Cations Intermixed Indium Zinc Oxide Interface for High-Performance Thin-Film Transistors Using a Solution Process.

PubMed

Na, Jae Won; Rim, You Seung; Kim, Hee Jun; Lee, Jin Hyeok; Hong, Seonghwan; Kim, Hyun Jae

2017-09-06

Solution-processed amorphous metal-oxide thin-film transistors (TFTs) utilizing an intermixed interface between a metal-oxide semiconductor and a dielectric layer are proposed. In-depth physical characterizations are carried out to verify the existence of the intermixed interface that is inevitably formed by interdiffusion of cations originated from a thermal process. In particular, when indium zinc oxide (IZO) semiconductor and silicon dioxide (SiO 2 ) dielectric layer are in contact and thermally processed, a Si 4+ intermixed IZO (Si/IZO) interface is created. On the basis of this concept, a high-performance Si/IZO TFT having both a field-effect mobility exceeding 10 cm 2 V -1 s -1 and a on/off current ratio over 10 7 is successfully demonstrated.

Propulsion/flight control integration technology (PROFIT) design analysis status

NASA Technical Reports Server (NTRS)

Carlin, C. M.; Hastings, W. J.

1978-01-01

The propulsion flight control integration technology (PROFIT) program was designed to develop a flying testbed dedicated to controls research. The preliminary design, analysis, and feasibility studies conducted in support of the PROFIT program are reported. The PROFIT system was built around existing IPCS hardware. In order to achieve the desired system flexibility and capability, additional interfaces between the IPCS hardware and F-15 systems were required. The requirements for additions and modifications to the existing hardware were defined. Those interfaces involving the more significant changes were studied. The DCU memory expansion to 32K with flight qualified hardware was completed on a brassboard basis. The uplink interface breadboard and a brassboard of the central computer interface were also tested. Two preliminary designs and corresponding program plans are presented.

Faster tissue interface analysis from Raman microscopy images using compressed factorisation

NASA Astrophysics Data System (ADS)

Palmer, Andrew D.; Bannerman, Alistair; Grover, Liam; Styles, Iain B.

2013-06-01

The structure of an artificial ligament was examined using Raman microscopy in combination with novel data analysis. Basis approximation and compressed principal component analysis are shown to provide efficient compression of confocal Raman microscopy images, alongside powerful methods for unsupervised analysis. This scheme allows the acceleration of data mining, such as principal component analysis, as they can be performed on the compressed data representation, providing a decrease in the factorisation time of a single image from five minutes to under a second. Using this workflow the interface region between a chemically engineered ligament construct and a bone-mimic anchor was examined. Natural ligament contains a striated interface between the bone and tissue that provides improved mechanical load tolerance, a similar interface was found in the ligament construct.

Nanoscale Protection Layers To Mitigate Degradation in High-Energy Electrochemical Energy Storage Systems.

PubMed

Lin, Chuan-Fu; Qi, Yue; Gregorczyk, Keith; Lee, Sang Bok; Rubloff, Gary W

2018-01-16

In the pursuit of energy storage devices with higher energy and power, new ion storage materials and high-voltage battery chemistries are of paramount importance. However, they invite-and often enhance-degradation mechanisms, which are reflected in capacity loss with charge/discharge cycling and sometimes in safety problems. Degradation mechanisms are often driven by fundamentals such as chemical and electrochemical reactions at electrode-electrolyte interfaces, volume expansion and stress associated with ion insertion and extraction, and profound inhomogeneity of electrochemical behavior. While it is important to identify and understand these mechanisms at some reasonable level, it is even more critical to design strategies to mitigate these degradation pathways and to develop means to implement and validate the strategies. A growing set of research highlights the mitigation benefits achievable by forming thin protection layers (PLs) intentionally created as artificial interphase regions at the electrode-electrolyte interface. These advances illustrate a promising-perhaps even generic-pathway for enabling higher-energy and higher-voltage battery configurations. In this Account, we summarize examples of such PLs that serve as mitigation strategies to avoid degradation in lithium metal anodes, conversion-type electrode materials, and alloy-type electrodes. Examples are chosen from a larger body of electrochemical degradation research carried out in Nanostructures for Electrical Energy Storage (NEES), our DOE Energy Frontier Research Center. Overall, we argue on the basis of experimental and theoretical evidence that PLs effectively stabilize the electrochemical interfaces to prevent parasitic chemical and electrochemical reactions and mitigate the structural, mechanical, and compositional degradation of the electrode materials at the electrode-electrolyte interfaces. The evidenced improvement in performance metrics is accomplished by (1) establishing a homogeneous interface for ion insertion and extraction, (2) providing mechanical constraints to maintain structural integrity and robust electronic and ionic conduction pathways, and (3) introducing spatial confinements on the electrode material matrix to alter the phase transformation (delaying the occurrence of the conversion reaction) upon Li insertion, which results in superior electrode performance, excellent capacity retention, and improved reversibility. Taken together, these examples portray a valuable role for thin protection layers synthesized over electrode surfaces, both for their benefit to cycle stability and for revealing insights into degradation and mitigation mechanisms. Furthermore, they underscore the impact of complex electrochemical behavior at nanoscale materials and nanostructure interfaces in modulating the behavior of energy storage devices at the mesoscale and macroscale.

Functional Basis for Efficient Physical Layer Classical Control in Quantum Processors

NASA Astrophysics Data System (ADS)

Ball, Harrison; Nguyen, Trung; Leong, Philip H. W.; Biercuk, Michael J.

2016-12-01

The rapid progress seen in the development of quantum-coherent devices for information processing has motivated serious consideration of quantum computer architecture and organization. One topic which remains open for investigation and optimization relates to the design of the classical-quantum interface, where control operations on individual qubits are applied according to higher-level algorithms; accommodating competing demands on performance and scalability remains a major outstanding challenge. In this work, we present a resource-efficient, scalable framework for the implementation of embedded physical layer classical controllers for quantum-information systems. Design drivers and key functionalities are introduced, leading to the selection of Walsh functions as an effective functional basis for both programing and controller hardware implementation. This approach leverages the simplicity of real-time Walsh-function generation in classical digital hardware, and the fact that a wide variety of physical layer controls, such as dynamic error suppression, are known to fall within the Walsh family. We experimentally implement a real-time field-programmable-gate-array-based Walsh controller producing Walsh timing signals and Walsh-synthesized analog waveforms appropriate for critical tasks in error-resistant quantum control and noise characterization. These demonstrations represent the first step towards a unified framework for the realization of physical layer controls compatible with large-scale quantum-information processing.

Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics.

PubMed

Nagata, Yuki; Ohto, Tatsuhiko; Backus, Ellen H G; Bonn, Mischa

2016-04-28

Understanding aqueous interfaces at the molecular level is not only fundamentally important, but also highly relevant for a variety of disciplines. For instance, electrode-water interfaces are relevant for electrochemistry, as are mineral-water interfaces for geochemistry and air-water interfaces for environmental chemistry; water-lipid interfaces constitute the boundaries of the cell membrane, and are thus relevant for biochemistry. One of the major challenges in these fields is to link macroscopic properties such as interfacial reactivity, solubility, and permeability as well as macroscopic thermodynamic and spectroscopic observables to the structure, structural changes, and dynamics of molecules at these interfaces. Simulations, by themselves, or in conjunction with appropriate experiments, can provide such molecular-level insights into aqueous interfaces. In this contribution, we review the current state-of-the-art of three levels of molecular dynamics (MD) simulation: ab initio, force field, and coarse-grained. We discuss the advantages, the potential, and the limitations of each approach for studying aqueous interfaces, by assessing computations of the sum-frequency generation spectra and surface tension. The comparison of experimental and simulation data provides information on the challenges of future MD simulations, such as improving the force field models and the van der Waals corrections in ab initio MD simulations. Once good agreement between experimental observables and simulation can be established, the simulation can be used to provide insights into the processes at a level of detail that is generally inaccessible to experiments. As an example we discuss the mechanism of the evaporation of water. We finish by presenting an outlook outlining four future challenges for molecular dynamics simulations of aqueous interfacial systems.

Analysis of the interface variability in NMR structure ensembles of protein-protein complexes.

PubMed

Calvanese, Luisa; D'Auria, Gabriella; Vangone, Anna; Falcigno, Lucia; Oliva, Romina

2016-06-01

NMR structures consist in ensembles of conformers, all satisfying the experimental restraints, which exhibit a certain degree of structural variability. We analyzed here the interface in NMR ensembles of protein-protein heterodimeric complexes and found it to span a wide range of different conservations. The different exhibited conservations do not simply correlate with the size of the systems/interfaces, and are most probably the result of an interplay between different factors, including the quality of experimental data and the intrinsic complex flexibility. In any case, this information is not to be missed when NMR structures of protein-protein complexes are analyzed; especially considering that, as we also show here, the first NMR conformer is usually not the one which best reflects the overall interface. To quantify the interface conservation and to analyze it, we used an approach originally conceived for the analysis and ranking of ensembles of docking models, which has now been extended to directly deal with NMR ensembles. We propose this approach, based on the conservation of the inter-residue contacts at the interface, both for the analysis of the interface in whole ensembles of NMR complexes and for the possible selection of a single conformer as the best representative of the overall interface. In order to make the analyses automatic and fast, we made the protocol available as a web tool at: https://www.molnac.unisa.it/BioTools/consrank/consrank-nmr.html. Copyright © 2016 Elsevier Inc. All rights reserved.

Ultrasonic transmission at solid-liquid interfaces

NASA Astrophysics Data System (ADS)

Wadley, Haydn N. G.; Queheillalt, Douglas T.; Lu, Yichi

1996-11-01

New non-invasive solid-liquid interface sensing technologies are a key element in the development of improved Bridman growth techniques for synthesizing single crystal semiconductor materials. Laser generated and optically detect ultrasonic techniques have the potential to satisfy this need. Using an anisotropic 3D ray tracing methodology combined with elastic constant data measured near the melting point, ultrasonic propagation in cylindrical single crystal bodies containing either a convex, flat, or concave solid-liquid interface has been simulated. Ray paths, wavefronts and the time-of-flight (TOF) of rays that travel from a source to an arbitrarily positioned receiver have all been calculated. Experimentally measured TOF data have been collected using laser generated, optically detected ultrasound on model systems with independently known interface shapes. Both numerically simulated and experimental data have shown that the solidification region can be easily identified from transmission TOF measurements because the velocity of the liquid is much smaller than that of the solid. Since convex and concave solid-liquid interfaces result in distinctively different TOF data profiles, the interface shape can also be readily determined from the TOF data. When TOF data collected in the diametral plane is used in conjunction with a nonlinear least squares algorithm, the interface geometry has been successfully reconstructed and ultrasonic velocities of both the solid and liquid obtained with reconstruction errors less than 5 percent.

Deducing 2D Crystal Structure at the Solid/Liquid Interface with Atomic Resolution by Combined STM and SFG Study

NASA Astrophysics Data System (ADS)

McClelland, Arthur; Ahn, Seokhoon; Matzger, Adam J.; Chen, Zhan

2009-03-01

Supplemented by computed models, Scanning Tunneling Microscopy (STM) can provide detailed structure of 2D crystals formed at the liquid/solid interface with atomic resolution. However, some structural information such as functional group orientations in such 2D crystals needs to be tested experimentally to ensure the accuracy of the deduced structures. Due to the limited sensitivity, many other experimental techniques such as Raman and infrared spectroscopy have not been allowed to provide such structural information of 2D crystals. Here we showed that Sum Frequency Generation Vibrational Spectroscopy (SFG) can measure average orientation of functional groups in such 2D crystals, or physisorbed monolayers, providing key experimental data to aid in the modeling and interpretation of the STM images. The usefulness of combining these two techniques is demonstrated with a phthalate diesters monolayer formed at the 1-phenyloctane/ highly oriented pyrolytic graphite (HOPG) interface. The spatial orientation of the ester C=O of the monolayer was successfully determined using SFG.

Review: mechanical behavior of metal/ceramic interfaces in nanolayered composites—experiments and modeling

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

Li, Nan; Liu, Xiang-Yang

In this study, recent experimental and modeling studies in nanolayered metal/ceramic composites are reviewed, with focus on the mechanical behaviors of metal/nitrides interfaces. The experimental and modeling studies of the slip systems in bulk TiN are reviewed first. Then, the experimental studies of interfaces, including co-deformation mechanism by micropillar compression tests, in situ TEM straining tests for the dynamic process of the co-deformation, thickness-dependent fracture behavior, and interrelationship among the interfacial bonding, microstructure, and mechanical response, are reviewed for the specific material systems of Al/TiN and Cu/TiN multilayers at nanoscale. The modeling studies reviewed cover first-principles density functional theory-based modeling,more » atomistic molecular dynamics simulations, and mesoscale modeling of nanolayered composites using discrete dislocation dynamics. The phase transformation between zinc-blende and wurtzite AlN phases in Al/AlN multilayers at nanoscale is also reviewed. Finally, a summary and perspective of possible research directions and challenges are given.« less

Review: mechanical behavior of metal/ceramic interfaces in nanolayered composites—experiments and modeling

DOE PAGES

Li, Nan; Liu, Xiang-Yang

2017-11-03

In this study, recent experimental and modeling studies in nanolayered metal/ceramic composites are reviewed, with focus on the mechanical behaviors of metal/nitrides interfaces. The experimental and modeling studies of the slip systems in bulk TiN are reviewed first. Then, the experimental studies of interfaces, including co-deformation mechanism by micropillar compression tests, in situ TEM straining tests for the dynamic process of the co-deformation, thickness-dependent fracture behavior, and interrelationship among the interfacial bonding, microstructure, and mechanical response, are reviewed for the specific material systems of Al/TiN and Cu/TiN multilayers at nanoscale. The modeling studies reviewed cover first-principles density functional theory-based modeling,more » atomistic molecular dynamics simulations, and mesoscale modeling of nanolayered composites using discrete dislocation dynamics. The phase transformation between zinc-blende and wurtzite AlN phases in Al/AlN multilayers at nanoscale is also reviewed. Finally, a summary and perspective of possible research directions and challenges are given.« less

Unraveling the Semiconducting/Metallic Discrepancy in Ni 3(HITP) 2

DOE PAGES

Foster, Michael E.; Sohlberg, Karl; Allendorf, Mark D.; ...

2018-01-10

Here, Ni 3(2,3,6,7,10,11-hexaiminotriphenylene) 2 is a π-stacked layered metal–organic framework material with extended π-conjugation that is analogous to graphene. Published experimental results indicate that the material is semiconducting, but all theoretical studies to date predict the bulk material to be metallic. Given that previous experimental work was carried out on specimens containing complex nanocrystalline microstructures and the tendency for internal interfaces to introduce transport barriers, we apply DFT to investigate the influence of internal interface defects on the electronic structure of Ni 3(HITP) 2. The results show that interface defects can introduce a transport barrier by breaking the π-conjugation and/ormore » decreasing the dispersion of the electronic bands near the Fermi level. We demonstrate that the presence of defects can open a small gap, in the range of 15–200 meV, which is consistent with the experimentally inferred hopping barrier.« less

Theory of the formation of the electric double layer at the ion exchange membrane-solution interface.

PubMed

Moya, A A

2015-02-21

This work aims to extend the study of the formation of the electric double layer at the interface defined by a solution and an ion-exchange membrane on the basis of the Nernst-Planck and Poisson equations, including different values of the counter-ion diffusion coefficient and the dielectric constant in the solution and membrane phases. The network simulation method is used to obtain the time evolution of the electric potential, the displacement electric vector, the electric charge density and the ionic concentrations at the interface between a binary electrolyte solution and a cation-exchange membrane with total co-ion exclusion. The numerical results for the temporal evolution of the interfacial electric potential and the surface electric charge are compared with analytical solutions derived in the limit of the shortest times by considering the Poisson equation for a simple cationic diffusion process. The steady-state results are justified from the Gouy-Chapman theory for the diffuse double layer in the limits of similar and high bathing ionic concentrations with respect to the fixed-charge concentration inside the membrane. Interesting new physical insights arise from the interpretation of the process of the formation of the electric double layer at the ion exchange membrane-solution interface on the basis of a membrane model with total co-ion exclusion.

Adhesion of voids to bimetal interfaces with non-uniform energies

DOE PAGES

Zheng, Shijian; Shao, Shuai; Zhang, Jian; ...

2015-10-21

Interface engineering has become an important strategy for designing radiation-resistant materials. Critical to its success is fundamental understanding of the interactions between interfaces and radiation-induced defects, such as voids. Using transmission electron microscopy, here we report an interesting phenomenon in their interaction, wherein voids adhere to only one side of the bimetal interfaces rather than overlapping them. We show that this asymmetrical void-interface interaction is a consequence of differing surface energies of the two metals and non-uniformity in their interface formation energy. Specifically, voids grow within the phase of lower surface energy and wet only the high-interface energy regions. Furthermore,more » because this outcome cannot be accounted for by wetting of interfaces with uniform internal energy, our report provides experimental evidence that bimetal interfaces contain non-uniform internal energy distributions. Ultimately, this work also indicates that to design irradiation-resistant materials, we can avoid void-interface overlap via tuning the configurations of interfaces.« less

Modeling organohalide perovskites for photovoltaic applications: From materials to interfaces

NASA Astrophysics Data System (ADS)

de Angelis, Filippo

2015-03-01

The field of hybrid/organic photovoltaics has been revolutionized in 2012 by the first reports of solid-state solar cells based on organohalide perovskites, now topping at 20% efficiency. First-principles modeling has been widely applied to the dye-sensitized solar cells field, and more recently to perovskite-based solar cells. The computational design and screening of new materials has played a major role in advancing the DSCs field. Suitable modeling strategies may also offer a view of the crucial heterointerfaces ruling the device operational mechanism. I will illustrate how simulation tools can be employed in the emerging field of perovskite solar cells. The performance of the proposed simulation toolbox along with the fundamental modeling strategies are presented using selected examples of relevant materials and interfaces. The main issue with hybrid perovskite modeling is to be able to accurately describe their structural, electronic and optical features. These materials show a degree of short range disorder, due to the presence of mobile organic cations embedded within the inorganic matrix, requiring to average their properties over a molecular dynamics trajectory. Due to the presence of heavy atoms (e.g. Sn and Pb) their electronic structure must take into account spin-orbit coupling (SOC) in an effective way, possibly including GW corrections. The proposed SOC-GW method constitutes the basis for tuning the materials electronic and optical properties, rationalizing experimental trends. Modeling charge generation in perovskite-sensitized TiO2 interfaces is then approached based on a SOC-DFT scheme, describing alignment of energy levels in a qualitatively correct fashion. The role of interfacial chemistry on the device performance is finally discussed. The research leading to these results has received funding from the European Union Seventh Framework Programme [FP7/2007 2013] under Grant Agreement No. 604032 of the MESO project.

Vapor Corrosion Response of Low Carbon Steel Exposed to Simulated High Level Radioactive Waste

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

Wiersma, B

2006-01-26

A program to resolve the issues associated with potential vapor space corrosion and liquid/air interface corrosion in the Type III high level waste tanks is in place. The objective of the program is to develop understanding of vapor space (VSC) and liquid/air interface (LAIC) corrosion to ensure a defensible technical basis to provide accurate corrosion evaluations with regard to vapor space and liquid/air interface corrosion. The results of the FY05 experiments are presented here. The experiments are an extension of the previous research on the corrosion of tank steel exposed to simple solutions to corrosion of the steel when exposedmore » to complex high level waste simulants. The testing suggested that decanting and the consequent residual species on the tank wall is the predominant source of surface chemistry on the tank wall. The laboratory testing has shown that at the boundary conditions of the chemistry control program for solutions greater than 1M NaNO{sub 3}{sup -}. Minor and isolated pitting is possible within crevices in the vapor space of the tanks that contain stagnant dilute solution for an extended period of time, specifically when residues are left on the tank wall during decanting. Liquid/air interfacial corrosion is possible in dilute stagnant solutions, particularly with high concentrations of chloride. The experimental results indicate that Tank 50 would be most susceptible to the potential for liquid/air interfacial corrosion or vapor space corrosion, with Tank 49 and 41 following, since these tanks are nearest to the chemistry control boundary conditions. The testing continues to show that the combination of well-inhibited solutions and mill-scale sufficiently protect against pitting in the Type III tanks.« less

User Interface Developed for Controls/CFD Interdisciplinary Research

NASA Technical Reports Server (NTRS)

1996-01-01

The NASA Lewis Research Center, in conjunction with the University of Akron, is developing analytical methods and software tools to create a cross-discipline "bridge" between controls and computational fluid dynamics (CFD) technologies. Traditionally, the controls analyst has used simulations based on large lumping techniques to generate low-order linear models convenient for designing propulsion system controls. For complex, high-speed vehicles such as the High Speed Civil Transport (HSCT), simulations based on CFD methods are required to capture the relevant flow physics. The use of CFD should also help reduce the development time and costs associated with experimentally tuning the control system. The initial application for this research is the High Speed Civil Transport inlet control problem. A major aspect of this research is the development of a controls/CFD interface for non-CFD experts, to facilitate the interactive operation of CFD simulations and the extraction of reduced-order, time-accurate models from CFD results. A distributed computing approach for implementing the interface is being explored. Software being developed as part of the Integrated CFD and Experiments (ICE) project provides the basis for the operating environment, including run-time displays and information (data base) management. Message-passing software is used to communicate between the ICE system and the CFD simulation, which can reside on distributed, parallel computing systems. Initially, the one-dimensional Large-Perturbation Inlet (LAPIN) code is being used to simulate a High Speed Civil Transport type inlet. LAPIN can model real supersonic inlet features, including bleeds, bypasses, and variable geometry, such as translating or variable-ramp-angle centerbodies. Work is in progress to use parallel versions of the multidimensional NPARC code.

An Experimental and Computational Study of Directional Solidification in Transparent Materials

NASA Technical Reports Server (NTRS)

Simpson, James E.; deGroh, Henry C., III; Garimella, Suresh V.

1999-01-01

An experimental and numerical study of the horizontal Bridgman growth of pure succinonitrile (SCN) and of a succinonitrile- 1.0 mol.% acetone alloy (SCN- 1.0 mol.% ACE) has been performed. Experiments at growth rates of 0, 2 and 40 micron/s were investigated. The solid/liquid interface was stable (non-dendritic and non-cellular); however, it was not flat. Rather, it was significantly distorted by the influence of convection in the melt and, for the growth cases, by the moving temperature boundary conditions along the ampoule. For the alloy, the interface was.determined to be unstable at growth rates greater than 2.8 micron/s, but stable for the no-growth and 2 micron/s growth cases. When compared to the pure SCN interface, the alloy interface forms closer to the cold zone, indicating that the melting temperature has been suppressed by the addition of the alloying element. Two-dimensional computer simulations were performed for the no-growth case for both the pure and alloy materials. These simulations indicate that a primary longitudinal convective cell is formed in the melt. The maximum magnitude of velocity was calculated to be 1.515 mm/s for pure SCN and 1.724 mm/s for the alloy. The interface shape predicted by the computer simulation agrees well with the experimentally determined shape for the pure SCN case. In ongoing work, numerical simulations of the process during growth conditions are being performed.

From atomistic interfaces to dendritic patterns

NASA Astrophysics Data System (ADS)

Galenko, P. K.; Alexandrov, D. V.

2018-01-01

Transport processes around phase interfaces, together with thermodynamic properties and kinetic phenomena, control the formation of dendritic patterns. Using the thermodynamic and kinetic data of phase interfaces obtained on the atomic scale, one can analyse the formation of a single dendrite and the growth of a dendritic ensemble. This is the result of recent progress in theoretical methods and computational algorithms calculated using powerful computer clusters. Great benefits can be attained from the development of micro-, meso- and macro-levels of analysis when investigating the dynamics of interfaces, interpreting experimental data and designing the macrostructure of samples. The review and research articles in this theme issue cover the spectrum of scales (from nano- to macro-length scales) in order to exhibit recently developing trends in the theoretical analysis and computational modelling of dendrite pattern formation. Atomistic modelling, the flow effect on interface dynamics, the transition from diffusion-limited to thermally controlled growth existing at a considerable driving force, two-phase (mushy) layer formation, the growth of eutectic dendrites, the formation of a secondary dendritic network due to coalescence, computational methods, including boundary integral and phase-field methods, and experimental tests for theoretical models-all these themes are highlighted in the present issue. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

Theoretical study of heat transfer with moving phase-change interface in thawing of frozen food

NASA Astrophysics Data System (ADS)

Leung, M.; Ching, W. H.; Leung, D. Y. C.; Lam, G. C. K.

2005-02-01

A theoretical solution was obtained for a transient phase-change heat transfer problem in thawing of frozen food. In the physical model, a sphere originally at a uniform temperature below the phase-change temperature is suddenly immersed in a fluid at a temperature above the phase-change temperature. As the body temperature increases, the phase-change interface will be first formed on the surface. Subsequently, the interface will absorb the latent heat and move towards the centre until the whole body undergoes complete phase change. In the mathematical formulation, the nonhomogeneous problem arises from the moving phase-change interface. The solution in terms of the time-dependent temperature field was obtained by use of Green's function. A one-step Newton-Raphson method was specially designed to solve for the position of the moving interface to satisfy the interface condition. The theoretical results were compared with numerical results generated by a finite difference model and experimental measurements collected from a cold water thawing process. As a good agreement was found, the theoretical solution developed in this study was verified numerically and experimentally. Besides thawing of frozen food, there are many other practical applications of the theoretical solution, such as food freezing, soil freezing/thawing, metal casting and bath quenching heat treatment, among others.

PREFACE: Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations

NASA Astrophysics Data System (ADS)

Gaigeot, Marie-Pierre; Sulpizi, Marialore

2012-03-01

Liquid-solid interfaces play an important role in a number of phenomena encountered in biological, chemical and physical processes. Surface-induced changes of the material properties are not only important for the solid support but also for the liquid itself. In particular, it is now well established that water at the interface is substantially different from bulk water, even in the proximity of apparently inert surfaces such as a simple metal. The complex chemistry at liquid-solid interfaces is typically fundamental to heterogeneous catalysis and electrochemistry, and has become especially topical in connection with the search for new materials for energy production. A quite remarkable example is the development of cheap yet efficient solar cells, whose basic components are dye molecules grafted to the surface of an oxide material and in contact with an electrolytic solution. In life science, the most important liquid-solid interfaces are the water-cell-membrane interfaces. Phenomena occurring at the surface of phospholipid bilayers control the docking of proteins, the transmission of signals as well as transport of molecules in and out of the cell. Recently the development of bio-compatible materials has lead to research on the interface between bio-compatible material and lipid/proteins in aqueous solution. Gaining a microscopic insight into the processes occurring at liquid-solid interfaces is therefore fundamental to a wide range of disciplines. This special section collects some contributions to the CECAM Workshop 'Liquid/Solid interfaces: Structure and Dynamics from Spectroscopy and Simulations' which took place in Lausanne, Switzerland in June 2011. Our main aim was to bring together knowledge and expertise from different communities in order to advance our microscopic understanding of the structure and dynamics of liquids at interfaces. In particular, one of our ambitions was to foster discussion between the experimental and theoretical/computational communities. On the experimental side, surface specific techniques, such as non-linear optical spectroscopy (sum frequency generation spectroscopy (SFG) and second harmonic generation (SHG)), surface sensitive x-ray scattering, in situ scanning tunneling microscopy (STM) and infrared reflection absorption spectroscopy provide information on layers of nanometric thickness at the interface. On the other hand, it is quite clear that the experiments require theoretical modelling in order to dissect the experimental results and to rationalize the different factors that contribute to the interfacial properties. In this respect molecular dynamics simulations are a major tool. While many successes have already been achieved with molecular dynamics simulations based on empirical force fields, first principles molecular dynamics simulations are now emerging as the other major approach where structure and reactivity are treated in a consistent way. Recent progress within the past 3-5 years on efficient treatments of basis sets and long range interactions in density functional theory (DFT) indeed extend such simulation capabilities to hundreds and thousands of atoms, thus allowing realistic models for interfaces to be tackled, maintaining first principles quality. Most of these simulations bring information on the structural organization of the solvent in the interfacial region between the solid and the liquid, but very few investigate the supplementary challenge of extracting vibrational spectroscopic fingerprints of the interface and, in particular, the direct modeling of the vibrational sum frequency generation (VSFG) non-linear spectra. The present special section reports an interesting contribution from the group of R Y Shen who pioneered VSFG optical experiments. They show how VSFG measurements can be used to unravel the behavior of interfacial water on alumina Al2O3 as a function of pH. The groups of A Hodgson and C Busse respectively provide complementary experiments based on low energy electron diffraction (LEED), He atom scattering (HAS) and STM, to investigate the organization of water on metal, namely Pd(111) and Pt(111). Direct measurements of hyperpolarizabilities for non-linear spectroscopy can be made through hyper-Rayleigh scattering experiments, which are presented here by the group of P F Brevet on gold and silver nanoparticles. From the point of view of molecular dynamics simulations of interfaces, complementary levels of calculations are presented in this special section. The groups of K Leung, M-P Gaigeot, M Sulpizi and M Sprik provide theoretical investigations with DFT-based molecular dynamics simulations. Leung et al and Gaigeot et al address the hot topic issue of the reactivity of oxides surface sites and especially reliable methods to calculate pKas of these sites, with simulations taking into account both the solid and the liquid explicitly, and at the same first principles level of theory. Gaigeot, Sprik and Sulpizi furthermore combine the information on the structural organization of liquid water at the interface with quartz and alumina via pKa calculations and vibrational features (and their microscopic assignments). Mixed quantum/classical molecular dynamics (QM/MM) simulations are presented by Ishiyama and Morita for the investigation of another topical interface, i.e. the liquid-air interface. They provide the theoretical VSFG spectrum of the water-vapor interface and some understanding at the microscopic level of the experimental vibrational features. Molecular dynamics simulations based on empirical force fields have been applied to investigate hydrophobic interfaces by the groups of B Space and P Carloni. Carloni et al address salt effects at water-hydrophobic interfaces, investigating how the salts affect the structural organization of water at these interfaces. Space et al provide theoretical approximations to VSFG calculations in the special case of the carbon tetrachloride-water interface and the assignments of the experimental recorded signatures. 'More traditional' DFT static calculations can be applied to complex objects at interfaces, providing their vibrational spectra, and two papers in this special section illustrate such approaches. Ceccet et al extract first hyperpolarizability tensors from DFT calculations on aliphatic chains and simulate the related VSFG spectra. They also investigate the effect of different functionals on the final signatures. Liegeois et al investigate functionalized surfaces, mainly focusing on IR and Raman spectral features, and provide very precise vibrational assignments depending on chemisorption or physisorption of the adsorbed molecules. We are grateful to all the authors for their contributions to this special section and we hope that readers will enjoy this collection of papers and that they will find further motivation to investigate and understand the complex phenomena occurring at interfaces. Liquid-solid interfaces contents The interfacial structure of water/protonated α-Al2O3 (112¯0) as a function of pHJ Sung, Y R Shen and G A Waychunas Strain relief and disorder in commensurate water layers formed on Pd(111)F McBride, A Omer, C M Clay, L Cummings, G R Darling and A Hodgson H2O on Pt(111): structure and stability of the first wetting layer Sebastian Standop, Markus Morgenstern, Thomas Michely and Carsten Busse Effect of a thioalkane capping layer on the first hyperpolarizabilities of gold and silver nanoparticles Yara El Harfouch, Emmanuel Benichou, Franck Bertorelle, Isabelle Russier-Antoine, Christian Jonin, Noelle Lascoux and Pierre F Brevet Predicting the acidity constant of a goethite hydroxyl group from first principlesKevin Leung and Louise J Criscenti Oxide/water interfaces: how the surface chemistry modifies interfacial water properties Marie-Pierre Gaigeot, Michiel Sprik and Marialore Sulpizi Vibrational spectrum at a water surface: a hybrid quantum mechanics/molecular mechanics molecular dynamics approach Tatsuya Ishiyama, Hideaki Takahashi and Akihiro Morita A theoretical study of the sum frequency vibrational spectroscopy of the carbon tetrachloride/water interface Anthony J Green, Angela Perry, Preston B Moore and Brian Space Salt effects on water/hydrophobic liquid interfaces: a molecular dynamics study Chao Zhang and Paolo Carloni Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach F Cecchet, D Lis, Y Caudano, A A Mani, A Peremans, B Champagne and J Guthmuller Towards modelling the vibrational signatures of functionalized surfaces: carboxylic acids on H-Si(111) surfaces Conrard Giresse Tetsassi Feugmo, Benoît Champagne, Yves Caudano, Francesca Cecchet, Yves J Chabal and Vincent Liégeois

Plasma interpenetration study on the Omega laser facility

NASA Astrophysics Data System (ADS)

Le Pape, Sebastien; Divol, Laurent; Ross, Steven; Wilks, Scott; Amendt, Peter; Berzak Hopkins, Laura; Huser, Gael; Moody, John; MacKinnon, Andy; Meezan, Nathan

2016-10-01

The Near Vacuum Campaign on the National Ignition Facility has sparked an interest on the nature of the gold/carbon interface at high velocity, high electron temperature, low-electron density. Indeed radiation-hydrodynamic simulations have been unable to accurately reproduce the experimental shape of the hot spot resulting from implosion driven in Near Vacuum Holhraum. The experimental data are suggesting that the inner beams are freely propagating to the waist of the hohlraum when simulations predict that a density ridge at the gold/carbon interface blocks the inner beams. The discrepancy between experimental data and simulation might be explained by the fluid description of the plasma interface in a rad-hydro code which is probably not valid in when two plasma at high velocity, high temperature are meeting. To test our assumption, we went to the Omega laser facility to study gold/carbon interface in the relevant regime. Time resolved images of the self-emission as well as Thomson scattering data will be presented. For the first time, a transition from a multifluid to a single fluid is observed as plasmas are interacting. This work was performed under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Experimental research control software system

NASA Astrophysics Data System (ADS)

Cohn, I. A.; Kovalenko, A. G.; Vystavkin, A. N.

2014-05-01

A software system, intended for automation of a small scale research, has been developed. The software allows one to control equipment, acquire and process data by means of simple scripts. The main purpose of that development is to increase experiment automation easiness, thus significantly reducing experimental setup automation efforts. In particular, minimal programming skills are required and supervisors have no reviewing troubles. Interactions between scripts and equipment are managed automatically, thus allowing to run multiple scripts simultaneously. Unlike well-known data acquisition commercial software systems, the control is performed by an imperative scripting language. This approach eases complex control and data acquisition algorithms implementation. A modular interface library performs interaction with external interfaces. While most widely used interfaces are already implemented, a simple framework is developed for fast implementations of new software and hardware interfaces. While the software is in continuous development with new features being implemented, it is already used in our laboratory for automation of a helium-3 cryostat control and data acquisition. The software is open source and distributed under Gnu Public License.

Simultaneous Measurements of Harmonic Waves at Fatigue-Cracked Interfaces

NASA Astrophysics Data System (ADS)

Hyunjo, Jeong; Dan, Barnard

2011-08-01

Nonlinear harmonic waves generated at cracked interfaces are investigated theoretically and experimentally. A compact tension specimen is fabricated and the amplitude of the transmitted wave is analyzed as a function of position along the fatigued crack surface. In order to measure as many nonlinear harmonic components as possible, broadband lithium niobate (LiNbO3) transducers are employed together with a calibration technique for making absolute amplitude measurements with fluid-coupled receiving transducers. Cracked interfaces are shown to generate high acoustic nonlinearities, which are manifested as harmonics in the power spectrum of the received signal. The first subharmonic f/2 and the second harmonic 2f waves are found to be dominant nonlinear components for an incident toneburst signal of frequency f. To explain the observed nonlinear behavior, a partially closed crack is modeled by planar half interfaces that can account for crack parameters, such as crack opening displacement and crack surface conditions. The simulation results show reasonable agreement with the experimental results.

Guided wave propagation and spectral element method for debonding damage assessment in RC structures

NASA Astrophysics Data System (ADS)

Wang, Ying; Zhu, Xinqun; Hao, Hong; Ou, Jinping

2009-07-01

A concrete-steel interface spectral element is developed to study the guided wave propagation along the steel rebar in the concrete. Scalar damage parameters characterizing changes in the interface (debonding damage) are incorporated into the formulation of the spectral finite element that is used for damage detection of reinforced concrete structures. Experimental tests are carried out on a reinforced concrete beam with embedded piezoelectric elements to verify the performance of the proposed model and algorithm. Parametric studies are performed to evaluate the effect of different damage scenarios on wave propagation in the reinforced concrete structures. Numerical simulations and experimental results show that the method is effective to model wave propagation along the steel rebar in concrete and promising to detect damage in the concrete-steel interface.

Experimental Characterization and Modeling of Thermal Contact Resistance of Electric Machine Stator-to-Cooling Jacket Interface Under Interference Fit Loading

DOE PAGES

Cousineau, Justine Emily; Bennion, Kevin S.; Chieduko, Victor; ...

2018-05-08

Cooling of electric machines is a key to increasing power density and improving reliability. This paper focuses on the design of a machine using a cooling jacket wrapped around the stator. The thermal contact resistance (TCR) between the electric machine stator and cooling jacket is a significant factor in overall performance and is not well characterized. This interface is typically an interference fit subject to compressive pressure exceeding 5 MPa. An experimental investigation of this interface was carried out using a thermal transmittance setup using pressures between 5 and 10 MPa. Furthermore, the results were compared to currently available modelsmore » for contact resistance, and one model was adapted for prediction of TCR in future motor designs.« less

Protein hydration in solution: Experimental observation by x-ray and neutron scattering

PubMed Central

Svergun, D. I.; Richard, S.; Koch, M. H. J.; Sayers, Z.; Kuprin, S.; Zaccai, G.

1998-01-01

The structure of the protein–solvent interface is the subject of controversy in theoretical studies and requires direct experimental characterization. Three proteins with known atomic resolution crystal structure (lysozyme, Escherichia coli thioredoxin reductase, and protein R1 of E. coli ribonucleotide reductase) were investigated in parallel by x-ray and neutron scattering in H2O and D2O solutions. The analysis of the protein–solvent interface is based on the significantly different contrasts for the protein and for the hydration shell. The results point to the existence of a first hydration shell with an average density ≈10% larger than that of the bulk solvent in the conditions studied. Comparisons with the results of other studies suggest that this may be a general property of aqueous interfaces. PMID:9482874

Experimental Characterization and Modeling of Thermal Contact Resistance of Electric Machine Stator-to-Cooling Jacket Interface Under Interference Fit Loading

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

Cousineau, Justine Emily; Bennion, Kevin S.; Chieduko, Victor

Cooling of electric machines is a key to increasing power density and improving reliability. This paper focuses on the design of a machine using a cooling jacket wrapped around the stator. The thermal contact resistance (TCR) between the electric machine stator and cooling jacket is a significant factor in overall performance and is not well characterized. This interface is typically an interference fit subject to compressive pressure exceeding 5 MPa. An experimental investigation of this interface was carried out using a thermal transmittance setup using pressures between 5 and 10 MPa. Furthermore, the results were compared to currently available modelsmore » for contact resistance, and one model was adapted for prediction of TCR in future motor designs.« less

Parameters Identification of Interface Friction Model for Ceramic Matrix Composites Based on Stress-Strain Response

NASA Astrophysics Data System (ADS)

Han, Xiao; Gao, Xiguang; Song, Yingdong

2017-10-01

An approach to identify parameters of interface friction model for Ceramic Matrix composites based on stress-strain response was developed. The stress distribution of fibers in the interface slip region and intact region of the damaged composite was determined by adopting the interface friction model. The relation between maximum strain, secant moduli of hysteresis loop and interface shear stress, interface de-bonding stress was established respectively with the method of symbolic-graphic combination. By comparing the experimental strain, secant moduli of hysteresis loop with computation values, the interface shear stress and interface de-bonding stress corresponding to first cycle were identified. Substituting the identification of parameters into interface friction model, the stress-strain curves were predicted and the predicted results fit experiments well. Besides, the influence of number of data points on identifying the value of interface parameters was discussed. And the approach was compared with the method based on the area of hysteresis loop.

Cellular nanotechnology: making biological interfaces smarter.

PubMed

Mendes, Paula M

2013-12-21

Recently, there has been an outburst of research on engineered cell-material interfaces driven by nanotechnology and its tools and techniques. This tutorial review begins by providing a brief introduction to nanostructured materials, followed by an overview of the wealth of nanoscale fabrication and analysis tools available for their development. This background serves as the basis for a discussion of early breakthroughs and recent key developments in the endeavour to develop nanostructured materials as smart interfaces for fundamental cellular studies, tissue engineering and regenerative medicine. The review covers three major aspects of nanostructured interfaces - nanotopographical control, dynamic behaviour and intracellular manipulation and sensing - where efforts are continuously being made to further understand cell function and provide new ways to control cell behaviour. A critical reflection of the current status and future challenges are discussed as a conclusion to the review.

Extending the granularity of representation and control for the MIL-STD CAIS 1.0 node model

NASA Technical Reports Server (NTRS)

Rogers, Kathy L.

1986-01-01

The Common APSE (Ada 1 Program Support Environment) Interface Set (CAIS) (DoD85) node model provides an excellent baseline for interfaces in a single-host development environment. To encompass the entire spectrum of computing, however, the CAIS model should be extended in four areas. It should provide the interface between the engineering workstation and the host system throughout the entire lifecycle of the system. It should provide a basis for communication and integration functions needed by distributed host environments. It should provide common interfaces for communications mechanisms to and among target processors. It should provide facilities for integration, validation, and verification of test beds extending to distributed systems on geographically separate processors with heterogeneous instruction set architectures (ISAS). Additions to the PROCESS NODE model to extend the CAIS into these four areas are proposed.

First-principles study of point defects at a semicoherent interface

DOE PAGES

Metsanurk, E.; Tamm, A.; Caro, A.; ...

2014-12-19

Most of the atomistic modeling of semicoherent metal-metal interfaces has so far been based on the use of semiempirical interatomic potentials. Here, we show that key conclusions drawn from previous studies are in contradiction with more precise ab-initio calculations. In particular we find that single point defects do not delocalize, but remain compact near the interfacial plane in Cu-Nb multilayers. Lastly, we give a simple qualitative explanation for this difference on the basis of the well known limited transferability of empirical potentials.

An Approach to Providing a User Interface for Military Computer-Aided- Instruction in 1980

DTIC Science & Technology

1975-11-01

commercial terminals is the use of a microprocessor unit ( MPU ) LSI chip controller. This technology is flexible and economical •nd can be expected to...various «•gmentt. By using an MPU and developing a software capability, tha vendor can quickly and economically satisfy a large spsctrum of user...the basis for an effective and economical jser interface to military CAI systems. •a. sicumrv CLAMincATioH or THIS P**;:^*— D*. K*fn4) ^vmm m m r

Effect of Microstructure on the Strength and Fracture Energy of Bimaterial Interfaces

DTIC Science & Technology

1993-12-31

non - dimensional plastic dissipationdensity with distance from the crack plane, y. Preliminary Analysis of Plastic Dissipation Associated with Crack...basis for emplaced in the bonding fixture, subject to a pressure finite element analysis of crack extension along the of - I MPa. The bonding fixture is... finite element analysis has been used to calculate stresses in the vicinity of a crack and the results rationalizd on the basis of low and high

Ordering Transitions in Liquid Crystals Permit Imaging of Spatial and Temporal Patterns Formed by Proteins Penetrating into Lipid-Laden Interfaces

PubMed Central

Daschner De Tercero, Maren; Abbott, Nicholas L.

2013-01-01

Recent studies have reported that full monolayers of L-α-dilaurylphosphatidylcholine (L-DLPC) and D-α-dipalmitoylphosphatidylcholine (D-DPPC) formed at interfaces between thermotropic liquid crystals (LCs) and aqueous phases lead to homeotropic (perpendicular) orientations of nematic LCs and that specific binding of proteins to these interfaces (such as phospholipase A2 binding to D-DPPC) can trigger orientational ordering transitions in the liquid crystals. We report on the nonspecific interactions of proteins with aqueous-LC interfaces decorated with partial monolayer coverage of L-DLPC. Whereas nonspecific interactions of four proteins (cytochrome c, bovine serum albumin,immunoglobulins, and neutravidin) do not perturb the ordering of the LC when a full monolayer of L-DLPC is assembled at the aqueous-LC interface, we observe patterned orientational transitions in the LC that reflect penetration of proteins into the interface of the LC with partial monolayer coverage of L-DLPC. The spatial patterns formed by the proteins and lipids at the interface are surprisingly complex, and in some cases the protein domains are found to compartmentalize lipid within the interfaces. These results suggest that phospholipid-decorated interfaces between thermotropic liquid crystals and aqueous phases offer the basis of a simple and versatile tool to study the spatial organization and dynamics ofprotein networks formed at mobile, lipid-decorated interfaces. PMID:23671353

Mercury exchange at the air-water-soil interface: an overview of methods.

PubMed

Fang, Fengman; Wang, Qichao; Liu, Ruhai

2002-06-12

An attempt is made to assess the present knowledge about the methods of determining mercury (Hg) exchange at the air-water-soil interface during the past 20 years. Methods determining processes of wet and dry removal/deposition of atmospheric Hg to aquatic and terrestrial ecosystems, as well as methods determining Hg emission fluxes to the atmosphere from natural surfaces (soil and water) are discussed. On the basis of the impressive advances that have been made in the areas relating to Hg exchange among air-soil-water interfaces, we analyzed existing problems and shortcomings in our current knowledge. In addition, some important fields worth further research are discussed and proposed.

Deformation of a free interface pierced by a tilted cylinder

NASA Astrophysics Data System (ADS)

Raufaste, C.; Kirstetter, G.; Celestini, F.; Cox, S. J.

2012-07-01

We investigate the interaction between an infinite cylinder and a free fluid-fluid interface governed only by its surface tension. We study the deformation of an initially flat interface when it is deformed by the presence of a cylindrical object, tilted at an arbitrary angle, that the interface “totally wets”. Our simulations predict all significant quantities such as the interface shape, the position of the contact line, and the force exerted by the interface on the cylinder. These results are compared with an experimental study of the penetration of a soap film by a cylindrical liquid jet. This dynamic situation exhibits all the characteristics of a totally wetting interface. We show that whatever the inclination, the force is always perpendicular to the plane of the interface, and its amplitude diverges as the inclination angle increases. Such results should bring new insights in both fluid and solid mechanics, from animal locomotion to surface micro-processing.

An optimization based study of equivalent circuit models for representing recordings at the neuron-electrode interface

PubMed Central

Thakore, Vaibhav; Molnar, Peter; Hickman, James J.

2014-01-01

Extracellular neuroelectronic interfacing is an emerging field with important applications in the fields of neural prosthetics, biological computation and biosensors. Traditionally, neuron-electrode interfaces have been modeled as linear point or area contact equivalent circuits but it is now being increasingly realized that such models cannot explain the shapes and magnitudes of the observed extracellular signals. Here, results were compared and contrasted from an unprecedented optimization based study of the point contact models for an extracellular ‘on-cell’ neuron-patch electrode and a planar neuron-microelectrode interface. Concurrent electrophysiological recordings from a single neuron simultaneously interfaced to three distinct electrodes (intracellular, ‘on-cell’ patch and planar microelectrode) allowed novel insights into the mechanism of signal transduction at the neuron-electrode interface. After a systematic isolation of the nonlinear neuronal contribution to the extracellular signal, a consistent underestimation of the simulated supra-threshold extracellular signals compared to the experimentally recorded signals was observed. This conclusively demonstrated that the dynamics of the interfacial medium contribute nonlinearly to the process of signal transduction at the neuron-electrode interface. Further, an examination of the optimized model parameters for the experimental extracellular recordings from sub- and supra-threshold stimulations of the neuron-electrode junctions revealed that ionic transport at the ‘on-cell’ neuron-patch electrode is dominated by diffusion whereas at the neuron-microelectrode interface the electric double layer (EDL) effects dominate. Based on this study, the limitations of the equivalent circuit models in their failure to account for the nonlinear EDL and ionic electrodiffusion effects occurring during signal transduction at the neuron-electrode interfaces are discussed. PMID:22695342

Evidence of negative-index refraction in nonlinear chemical waves.

PubMed

Yuan, Xujin; Wang, Hongli; Ouyang, Qi

2011-05-06

The negative index of refraction of nonlinear chemical waves has become a recent focus in nonlinear dynamics researches. Theoretical analysis and computer simulations have predicted that the negative index of refraction can occur on the interface between antiwaves and normal waves in a reaction-diffusion (RD) system. However, no experimental evidence has been found so far. In this Letter, we report our experimental design in searching for such a phenomenon in a chlorite-iodide-malonic acid (CIMA) reaction. Our experimental results demonstrate that competition between waves and antiwaves at their interface determines the fate of the wave interaction. The negative index of refraction was only observed when the oscillation frequency of a normal wave is significantly smaller than that of the antiwave. All experimental results were supported by simulations using the Lengyel-Epstein RD model which describes the CIMA reaction-diffusion system.

Coherency strain and its effect on ionic conductivity and diffusion in solid electrolytes--an improved model for nanocrystalline thin films and a review of experimental data.

PubMed

Korte, C; Keppner, J; Peters, A; Schichtel, N; Aydin, H; Janek, J

2014-11-28

A phenomenological and analytical model for the influence of strain effects on atomic transport in columnar thin films is presented. A model system consisting of two types of crystalline thin films with coherent interfaces is assumed. Biaxial mechanical strain ε0 is caused by lattice misfit of the two phases. The conjoined films consist of columnar crystallites with a small diameter l. Strain relaxation by local elastic deformation, parallel to the hetero-interface, is possible along the columnar grain boundaries. The spatial extent δ0 of the strained hetero-interface regions can be calculated, assuming an exponential decay of the deformation-forces. The effect of the strain field on the local ionic transport in a thin film is then calculated by using the thermodynamic relation between (isostatic) pressure and free activation enthalpy ΔG(#). An expression describing the total ionic transport relative to bulk transport of a thin film or a multilayer as a function of the layer thickness is obtained as an integral average over strained and unstrained regions. The expression depends only on known material constants such as Young modulus Y, Poisson ratio ν and activation volume ΔV(#), which can be combined as dimensionless parameters. The model is successfully used to describe own experimental data from conductivity and diffusion studies. In the second part of the paper a comprehensive literature overview of experimental studies on (fast) ion transport in thin films and multilayers along solid-solid hetero-interfaces is presented. By comparing and reviewing the data the observed interface effects can be classified into three groups: (i) transport along interfaces between extrinsic ionic conductors (and insulator), (ii) transport along an open surface of an extrinsic ionic conductor and (iii) transport along interfaces between intrinsic ionic conductors. The observed effects in these groups differ by about five orders of magnitude in a very consistent way. The modified interface transport in group (i) is most probably caused by strain effects, misfit dislocations or disordered transition regions.

Quantum Piston - Quantum Preservation, Simulation and Transfer In Oxide Nanostructures

DTIC Science & Technology

2016-06-28

might exist and be detected in nanowires ‘drawn’ at these interfaces by the University of Pittsburgh team. Important experimental advances have...zero modes might exist and be detected in nanowires ‘drawn’ at these interfaces by the University of Pittsburgh team. In thinking about the...possibility of Majorana zero modes in nanowires are LAO/STO interfaces, it became clear that one important feature of superconductivity in these wires is that

Portable haptic interface with omni-directional movement and force capability.

PubMed

Avizzano, Carlo Alberto; Satler, Massimo; Ruffaldi, Emanuele

2014-01-01

We describe the design of a new mobile haptic interface that employs wheels for force rendering. The interface, consisting of an omni-directional Killough type platform, provides 2DOF force feedback with different control modalities. The system autonomously performs sensor fusion for localization and force rendering. This paper explains the relevant choices concerning the functional aspects, the control design, the mechanical and electronic solution. Experimental results for force feedback characterization are reported.

Evaluation of air-liquid interface exposure systems for in vitro assessment of airborne pollutants

EPA Science Inventory

Exposure of cells to airborne pollutants at the air-liquid interface (ALI) is a more realistic approach than exposures of submerged cells. The published literature, however, describes irreproducible and/or unrealistic experimental conditions using ALI systems. We have compared fi...

An elasto-viscoplastic interface model for investigating the constitutive behavior of nacre

NASA Astrophysics Data System (ADS)

Tang, H.; Barthelat, F.; Espinosa, H. D.

2007-07-01

In order to better understand the strengthening mechanism observed in nacre, we have developed an interface computational model to simulate the behavior of the organic present at the interface between aragonite tablets. In the model, the single polymer-chain behavior is characterized by the worm-like-chain (WLC) model, which is in turn incorporated into the eight-chain cell model developed by Arruda and Boyce [Arruda, E.M., Boyce, M.C., 1993a. A three-dimensional constitutive model for the large stretches, with application to polymeric glasses. Int. J. Solids Struct. 40, 389-412] to achieve a continuum interface constitutive description. The interface model is formulated within a finite-deformation framework. A fully implicit time-integration algorithm is used for solving the discretized governing equations. Finite element simulations were performed on a representative volume element (RVE) to investigate the tensile response of nacre. The staggered arrangement of tablets and interface waviness obtained experimentally by Barthelat et al. [Barthelat, F., Tang, H., Zavattieri, P.D., Li, C.-M., Espinosa, H.D., 2007. On the mechanics of mother-of-pearl: a key feature in the material hierarchical structure. J. Mech. Phys. Solids 55 (2), 306-337] was included in the RVE simulations. The simulations showed that both the rate-dependence of the tensile response and hysteresis loops during loading, unloading and reloading cycles were captured by the model. Through a parametric study, the effect of the polymer constitutive response during tablet-climbing and its relation to interface hardening was investigated. It is shown that stiffening of the organic material is not required to achieve the experimentally observed strain hardening of nacre during tension. In fact, when ratios of contour length/persistent length experimentally identified are employed in the simulations, the predicted stress-strain behavior exhibits a deformation hardening consistent with the one measured experimentally and also captured by the phenomenological cohesive model used in the study carried out by Barthelat et al. [Barthelat, F., Tang, H., Zavattieri, P.D., Li, C.-M., Espinosa, H.D., 2007. On the mechanics of mother-of-pearl: a key feature in the material hierarchical structure. J. Mech. Phys. Solids 55 (2), 306-337]. The simulation results also reveal that the bulk modulus of the polymer controls the rate of hardening, feature not captured by more simple cohesive laws.

Smart nanogels at the air/water interface: structural studies by neutron reflectivity

NASA Astrophysics Data System (ADS)

Zielińska, Katarzyna; Sun, Huihui; Campbell, Richard A.; Zarbakhsh, Ali; Resmini, Marina

2016-02-01

The development of effective transdermal drug delivery systems based on nanosized polymers requires a better understanding of the behaviour of such nanomaterials at interfaces. N-Isopropylacrylamide-based nanogels synthesized with different percentages of N,N'-methylenebisacrylamide as cross-linker, ranging from 10 to 30%, were characterized at physiological temperature at the air/water interface, using neutron reflectivity (NR), with isotopic contrast variation, and surface tension measurements; this allowed us to resolve the adsorbed amount and the volume fraction of nanogels at the interface. A large conformational change for the nanogels results in strong deformations at the interface. As the percentage of cross-linker incorporated in the nanogels becomes higher, more rigid matrices are obtained, although less deformed, and the amount of adsorbed nanogels is increased. The data provide the first experimental evidence of structural changes of nanogels as a function of the degree of cross-linking at the air/water interface.The development of effective transdermal drug delivery systems based on nanosized polymers requires a better understanding of the behaviour of such nanomaterials at interfaces. N-Isopropylacrylamide-based nanogels synthesized with different percentages of N,N'-methylenebisacrylamide as cross-linker, ranging from 10 to 30%, were characterized at physiological temperature at the air/water interface, using neutron reflectivity (NR), with isotopic contrast variation, and surface tension measurements; this allowed us to resolve the adsorbed amount and the volume fraction of nanogels at the interface. A large conformational change for the nanogels results in strong deformations at the interface. As the percentage of cross-linker incorporated in the nanogels becomes higher, more rigid matrices are obtained, although less deformed, and the amount of adsorbed nanogels is increased. The data provide the first experimental evidence of structural changes of nanogels as a function of the degree of cross-linking at the air/water interface. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr07538f

Perspective: Surface freezing in water: A nexus of experiments and simulations

NASA Astrophysics Data System (ADS)

Haji-Akbari, Amir; Debenedetti, Pablo G.

2017-08-01

Surface freezing is a phenomenon in which crystallization is enhanced at a vapor-liquid interface. In some systems, such as n-alkanes, this enhancement is dramatic and results in the formation of a crystalline layer at the free interface even at temperatures slightly above the equilibrium bulk freezing temperature. There are, however, systems in which the enhancement is purely kinetic and only involves faster nucleation at or near the interface. The first, thermodynamic, type of surface freezing is easier to confirm in experiments, requiring only the verification of the existence of crystalline order at the interface. The second, kinetic, type of surface freezing is far more difficult to prove experimentally. One material that is suspected of undergoing the second type of surface freezing is liquid water. Despite strong indications that the freezing of liquid water is kinetically enhanced at vapor-liquid interfaces, the findings are far from conclusive, and the topic remains controversial. In this perspective, we present a simple thermodynamic framework to understand conceptually and distinguish these two types of surface freezing. We then briefly survey fifteen years of experimental and computational work aimed at elucidating the surface freezing conundrum in water.

Simulation and Theory of Ions at Atmospherically Relevant Aqueous Liquid-Air Interfaces

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

Tobias, Douglas J.; Stern, Abraham C.; Baer, Marcel D.

2013-04-01

Chemistry occurring at or near the surfaces of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming increasingly useful for gaining atomic-scale insight into the structure and reactivity of aqueous interfaces in the atmosphere. Here we review simulation studies of atmospherically relevant aqueous liquid-air interfaces, with an emphasis on ions that play important roles in the chemistry of atmospheric aerosols. In addition to surveying results from simulation studies, we discuss challenges to the refinement and experimental validation of the methodology for simulating ion adsorption to the air-water interface, and recent advancesmore » in elucidating the driving forces for adsorption. We also review the recent development of a dielectric continuum theory that is capable of reproducing simulation and experimental data on ion behavior at aqueous interfaces. MDB and CJM acknowledge support from the US Department of Energy's Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory (PNNL) is operated for the Department of Energy by Battelle. MDB is supported by the Linus Pauling Distinguished Postdoctoral Fellowship Program at PNNL.« less

On the c-Si/SiO2 interface recombination parameters from photo-conductance decay measurements

NASA Astrophysics Data System (ADS)

Bonilla, Ruy S.; Wilshaw, Peter R.

2017-04-01

The recombination of electric charge carriers at semiconductor surfaces continues to be a limiting factor in achieving high performance optoelectronic devices, including solar cells, laser diodes, and photodetectors. The theoretical model and a solution algorithm for surface recombination have been previously reported. However, their successful application to experimental data for a wide range of both minority excess carrier concentrations and dielectric fixed charge densities has not previously been shown. Here, a parametrisation for the semiconductor-dielectric interface charge Q i t is used in a Shockley-Read-Hall extended formalism to describe recombination at the c-Si/SiO2 interface, and estimate the physical parameters relating to the interface trap density D i t , and the electron and hole capture cross-sections σ n and σ p . This approach gives an excellent description of the experimental data without the need to invoke a surface damage region in the c-Si/SiO2 system. Band-gap tail states have been observed to limit strongly the effectiveness of field effect passivation. This approach provides a methodology to determine interface recombination parameters in any semiconductor-insulator system using macro scale measuring techniques.

Experimental Investigation of the Self-Propelled Motion of a Sodium Oleate Tablet and Boat at an Oil-Water Interface.

PubMed

Watahiki, Yasuhito; Nomoto, Tomonori; Chiari, Luca; Toyota, Taro; Fujinami, Masanori

2018-05-15

The self-propelled behaviors of macroscopic inanimate objects at surfaces and interfaces are ubiquitous phenomena of fundamental interest in interface science. However, given the existence of a large variety of systems with their own inherent chemical properties, the kinematics of the self-propelled motion and the dynamics of the forces driving these systems often remain largely unknown. Here, we experimentally investigate the spontaneous motion of a sodium oleate tablet at a water-nitrobenzene interface, under nonequilibrium and global isothermal conditions, through measurements of the interfacial tension with the noninvasive, quasi-elastic laser scattering method. The sodium oleate tablet was self-propelled due to an imbalance in the interfacial tension induced by the inhomogeneous adsorption of oleate/oleic acid molecules. The kinetics of the self-propelled motion of a boat-shaped plastic sheet bearing sodium oleate tablets at a sodium oleate aqueous solution-nitrobenzene interface was also studied. The interfacial tension difference between the front and rear of the boat was quantitatively identified as the force pushing the boat forward, although the Marangoni flow due to the uneven distribution of the interfacial tension behind the boat tended to decelerate the motion.

Direct Imaging and First Principles Studies of Si3N4/SiO2 Interface

NASA Astrophysics Data System (ADS)

Walkosz, Weronika; Klie, Robert; Ogut, Serdar; Mikijelj, Bilijana; Pennycook, Stephen; Idrobo, Juan C.

2010-03-01

It is well known that the composition of the integranular films (IGFs) in sintered polycrystalline silicon nitride (Si3N4) ceramics controls many of their physical and mechanical properties. A considerable effort has been made to characterize these films on the atomic scale using both experimental and theoretical methods. In this talk, we present results from a combined atomic-resolution Z-contrast and annular bright field imaging, electron energy-loss spectroscopy, as well as ab initio studies of the interface between β-Si3N4 (10-10) and SiO2 intergranular film. Our results show that O replaces N at the interface between the two materials in agreement with our theoretical calculations and that N is present in the SiO2 IGF. Moreover, they indicate the presence of atomic columns completing Si3N4 open rings, which have not been observed experimentally at the recently imaged Si3N4/rare-earth oxides interfaces, but have been predicted theoretically on bare Si3N4 surfaces. The structural and electronic variations at the Si3N4/SiO2 interface will be discussed in detail, focusing in particular on bonding characteristics.

Study of GaAs-oxide interface by transient capacitance spectroscopy - Discrete energy interface states

NASA Technical Reports Server (NTRS)

Kamieniecki, E.; Kazior, T. E.; Lagowski, J.; Gatos, H. C.

1980-01-01

Interface states and bulk GaAs energy levels were simultaneously investigated in GaAs MOS structures prepared by anodic oxidation. These two types of energy levels were successfully distinguished by carrying out a comparative analysis of deep level transient capacitance spectra of the MOS structures and MS structures prepared on the same samples of epitaxially grown GaAs. The identification and study of the interface states and bulk levels was also performed by investigating the transient capacitance spectra as a function of the filling pulse magnitude. It was found that in the GaAs-anodic oxide interface there are states present with a discrete energy rather than with a continuous energy distribution. The value of the capture cross section of the interface states was found to be 10 to the 14th to 10 to the 15th/sq cm, which is more accurate than the extremely large values of 10 to the -8th to 10 to the -9th/sq cm reported on the basis of conductance measurements.

Protons at the speed of sound: Predicting specific biological signaling from physics.

PubMed

Fichtl, Bernhard; Shrivastava, Shamit; Schneider, Matthias F

2016-05-24

Local changes in pH are known to significantly alter the state and activity of proteins and enzymes. pH variations induced by pulses propagating along soft interfaces (e.g. membranes) would therefore constitute an important pillar towards a physical mechanism of biological signaling. Here we investigate the pH-induced physical perturbation of a lipid interface and the physicochemical nature of the subsequent acoustic propagation. Pulses are stimulated by local acidification and propagate - in analogy to sound - at velocities controlled by the interface's compressibility. With transient local pH changes of 0.6 directly observed at the interface and velocities up to 1.4 m/s this represents hitherto the fastest protonic communication observed. Furthermore simultaneously propagating mechanical and electrical changes in the lipid interface are detected, exposing the thermodynamic nature of these pulses. Finally, these pulses are excitable only beyond a threshold for protonation, determined by the pKa of the lipid head groups. This protonation-transition plus the existence of an enzymatic pH-optimum offer a physical basis for intra- and intercellular signaling via sound waves at interfaces, where not molecular structure and mechano-enyzmatic couplings, but interface thermodynamics and thermodynamic transitions are the origin of the observations.

Use of Model Payload for Europa Mission Development

NASA Technical Reports Server (NTRS)

Lewis, Kari; Klaasan, Ken; Susca, Sara; Oaida, Bogdan; Larson, Melora; Vanelli, Tony; Murray, Alex; Jones, Laura; Thomas, Valerie; Frank, Larry

2016-01-01

This paper discusses the basis for the Model Payload and how it was used to develop the mission design, observation and data acquisition strategy, needed spacecraft capabilities, spacecraft-payload interface needs, mission system requirements and operational scenarios.

High-Mobility, Ultrathin Organic Semiconducting Films Realized by Surface-Mediated Crystallization.

PubMed

Vladimirov, I; Kellermeier, M; Geßner, T; Molla, Zarah; Grigorian, S; Pietsch, U; Schaffroth, L S; Kühn, M; May, F; Weitz, R T

2018-01-10

The functionality of common organic semiconductor materials is determined by their chemical structure and crystal modification. While the former can be fine-tuned via synthesis, a priori control over the crystal structure has remained elusive. We show that the surface tension is the main driver for the plate-like crystallization of a novel small organic molecule n-type semiconductor at the liquid-air interface. This interface provides an ideal environment for the growth of millimeter-sized semiconductor platelets that are only few nanometers thick and thus highly attractive for application in transistors. On the basis of the novel high-performance perylene diimide, we show in as-grown, only 3 nm thin crystals electron mobilities of above 4 cm 2 /(V s) and excellent bias stress stability. We suggest that the established systematics on solvent parameters can provide the basis of a general framework for a more deterministic crystallization of other small molecules.

The importance of expressing antimicrobial agents on water basis in growth/no growth interface models: a case study for Zygosaccharomyces bailii.

PubMed

Dang, T D T; Vermeulen, A; Mertens, L; Geeraerd, A H; Van Impe, J F; Devlieghere, F

2011-01-31

In a previous study on Zygosaccharomyces bailii, three growth/no growth models have been developed, predicting growth probability of the yeast at different conditions typical for acidified foods (Dang, T.D.T., Mertens, L., Vermeulen, A., Geeraerd, A.H., Van Impe, J.F., Debevere, J., Devlieghere, F., 2010. Modeling the growth/no growth boundary of Z. bailii in acidic conditions: A contribution to the alternative method to preserve foods without using chemical preservatives. International Journal of Food Microbiology 137, 1-12). In these broth-based models, the variables were pH, water activity and acetic acid, with acetic acid concentration expressed in volume % on the total culture medium (i.e., broth). To continue the previous study, validation experiments were performed for 15 selected combinations of intrinsic factors to assess the performance of the model at 22°C (60days) in a real food product (ketchup). Although the majority of experimental results were consistent, some remarkable deviations between prediction and validation were observed, e.g., Z. bailii growth occurred in conditions where almost no growth had been predicted. A thorough investigation revealed that the difference between two ways of expressing acetic acid concentration (i.e., on broth basis and on water basis) is rather significant, particularly for media containing high amounts of dry matter. Consequently, the use of broth-based concentrations in the models was not appropriate. Three models with acetic acid concentration expressed on water basis were established and it was observed that predictions by these models well matched the validation results; therefore a "systematic error" in broth-based models was recognized. In practice, quantities of antimicrobial agents are often calculated based on the water content of food products. Hence, to assure reliable predictions and facilitate the application of models (developed from lab media with high dry matter contents), it is important to express antimicrobial agents' concentrations on a common basis-the water content. Reviews over other published growth/no growth models in literature are carried out and expressions of the stress factors' concentrations (on broth basis) found in these models confirm this finding. Copyright © 2010 Elsevier B.V. All rights reserved.

Water is a poor solvent for densely grafted poly(ethylene oxide) chains: a conclusion drawn from a self-consistent field theory-based analysis of neutron reflectivity and surface pressure-area isotherm data.

PubMed

Lee, Hoyoung; Kim, Dae Hwan; Witte, Kevin N; Ohn, Kimberly; Choi, Je; Akgun, Bulent; Satija, Sushil; Won, You-Yeon

2012-06-21

By use of a combined experimental and theoretical approach, a model poly(ethylene oxide) (PEO) brush system, prepared by spreading a poly(ethylene oxide)-poly(n-butyl acrylate) (PEO-PnBA) amphiphilic diblock copolymer onto an air-water interface, was investigated. The polymer segment density profiles of the PEO brush in the direction normal to the air-water interface under various grafting density conditions were determined by using the neutron reflectivity (NR) measurement technique. To achieve a theoretically sound analysis of the reflectivity data, we used a data analysis method that utilizes the self-consistent field (SCF) theoretical modeling as a tool for predicting expected reflectivity results for comparison with the experimental data. Using this data analysis technique, we discovered that the effective Flory-Huggins interaction parameter of the PEO brush chains is significantly greater than that corresponding to the θ condition in Flory-Huggins solutions (i.e., χ(PEO-water)(brush chains)/χ(PEO-water)(θ condition) ≈ 1.2), suggesting that contrary to what is more commonly observed for PEO in normal situations (χ(PEO-water)(free chains)/χ(PEO-water)(θ condition) ≈ 0.92), the PEO chains are actually not "hydrophilic" when they exist as polymer brush chains, because of the many body interactions that are forced to be effective in the brush situation. This result is further supported by the fact that the surface pressures of the PEO brush calculated on the basis of the measured χ(PEO-water) value are in close agreement with the experimental surface pressure-area isotherm data. The SCF theoretical analysis of the surface pressure behavior of the PEO brush also suggests that even though the grafted PEO chains experience a poor solvent environment, the PEO brush layer exhibits positive surface pressures, because the hydrophobicity of the PEO brush chains (which favors compression) is insufficient to overcome the opposing effect of the chain conformational entropy (which resists compression).

Molecular dynamics shows that ion pairing and counterion anchoring control the properties of triflate micelles: a comparison with triflate at the air/water interface.

PubMed

Lima, Filipe S; Chaimovich, Hernan; Cuccovia, Iolanda M; Horinek, Dominik

2014-02-11

Micellar properties of dodecyltrimethylammonium triflate (DTA-triflate, DTATf) are very different from those of DTA-bromide (DTAB). DTATf aggregates show high aggregation numbers (Nagg), low degree of counterion dissociation (α), disk-like shape, high packing, ordering, and low hydration. These micellar properties and the low surface tension of NaTf aqueous solutions point to a high affinity of Tf(-) to the micellar and air/water interfaces. Although the micellar properties of DTATf are well defined, the source of the Tf(-) effect upon the DTA aggregates is unclear. Molecular dynamics (MD) simulations of Tf(-) (and Br(-)) at the air/water interface and as counterion of a DTA aggregate were performed to clarify the nature of Tf(-) preferences for these interfaces. The effect of NaTf or NaBr on surface tension calculated from MD simulations agreed with the reported experimental values. From the MD simulations a high affinity of Tf(-) toward the interface, which occurred in a specific orientation, was calculated. The micellar properties calculated from the MD simulations for DTATf and DTAB were consistent with experimental data: in MD simulations, the DTATf aggregate was more ordered, packed, and dehydrated than the DTAB aggregate. The Tf(-)/alkyltrimethylammonium interaction energies, calculated from the MD simulations, suggested ion pair formation at the micellar interface, stabilized by the preferential orientation of the adsorbed Tf(-) at the micellar interface.

Electronic properties of MoS2 / MoOx interfaces: Implications in Tunnel Field Effect Transistors and Hole Contacts

DOE PAGES

Santosh, K. C.; Longo, Roberto; Addou, Rafik; ...

2016-09-26

In an electronic device based on two dimensional (2D) transitional metal dichalcogenides (TMDs), finding a low resistance metal contact is critical in order to achieve the desired performance. However, due to the unusual Fermi level pinning in metal/2D TMD interface, the performance is limited. Here, we investigate the electronic properties of TMDs and transition metal oxide (TMO) interfaces (MoS 2/MoO 3) using density functional theory (DFT). Our results demonstrate that, due to the large work function of MoO 3 and the relative band alignment with MoS 2, together with small energy gap, the MoS 2/MoO 3 interface is a goodmore » candidate for a tunnel field effect (TFET)-type device. Moreover, if the interface is not stoichiometric because of the presence of oxygen vacancies in MoO 3, the heterostructure is more suitable for p-type (hole) contacts, exhibiting an Ohmic electrical behavior as experimentally demonstrated for different TMO/TMD interfaces. Our results reveal that the defect state induced by an oxygen vacancy in the MoO3 aligns with the valance band of MoS 2, showing an insignificant impact on the band gap of the TMD. This result highlights the role of oxygen vacancies in oxides on facilitating appropriate contacts at the MoS 2 and MoO x (x < 3) interface, which consistently explains the available experimental observations.« less

Electronic properties of MoS2/MoOx interfaces: Implications in Tunnel Field Effect Transistors and Hole Contacts

PubMed Central

K. C., Santosh; Longo, Roberto C.; Addou, Rafik; Wallace, Robert M.; Cho, Kyeongjae

2016-01-01

In an electronic device based on two dimensional (2D) transitional metal dichalcogenides (TMDs), finding a low resistance metal contact is critical in order to achieve the desired performance. However, due to the unusual Fermi level pinning in metal/2D TMD interface, the performance is limited. Here, we investigate the electronic properties of TMDs and transition metal oxide (TMO) interfaces (MoS2/MoO3) using density functional theory (DFT). Our results demonstrate that, due to the large work function of MoO3 and the relative band alignment with MoS2, together with small energy gap, the MoS2/MoO3 interface is a good candidate for a tunnel field effect (TFET)-type device. Moreover, if the interface is not stoichiometric because of the presence of oxygen vacancies in MoO3, the heterostructure is more suitable for p-type (hole) contacts, exhibiting an Ohmic electrical behavior as experimentally demonstrated for different TMO/TMD interfaces. Our results reveal that the defect state induced by an oxygen vacancy in the MoO3 aligns with the valance band of MoS2, showing an insignificant impact on the band gap of the TMD. This result highlights the role of oxygen vacancies in oxides on facilitating appropriate contacts at the MoS2 and MoOx (x < 3) interface, which consistently explains the available experimental observations. PMID:27666523

GaAs-oxide interface states - Gigantic photoionization via Auger-like process

NASA Technical Reports Server (NTRS)

Lagowski, J.; Kazior, T. E.; Gatos, H. C.; Walukiewicz, W.; Siejka, J.

1981-01-01

Spectral and transient responses of photostimulated current in MOS structures were employed for the study of GaAs-anodic oxide interface states. Discrete deep traps at 0.7 and 0.85 eV below the conduction band were found with concentrations of 5 x 10 to the 12th/sq cm and 7 x 10 to the 11th/sq cm, respectively. These traps coincide with interface states induced on clean GaAs surfaces by oxygen and/or metal adatoms (submonolayer coverage). In contrast to surfaces with low oxygen coverage, the GaAs-thick oxide interfaces exhibited a high density (about 10 to the 14th/sq cm) of shallow donors and acceptors. Photoexcitation of these donor-acceptor pairs led to a gigantic photoionization of deep interface states with rates 1000 times greater than direct transitions into the conduction band. The gigantic photoionization is explained on the basis of energy transfer from excited donor-acceptor pairs to deep states.

Phase Separation from Electron Confinement at Oxide Interfaces

NASA Astrophysics Data System (ADS)

Scopigno, N.; Bucheli, D.; Caprara, S.; Biscaras, J.; Bergeal, N.; Lesueur, J.; Grilli, M.

2016-01-01

Oxide heterostructures are of great interest for both fundamental and applicative reasons. In particular, the two-dimensional electron gas at the LaAlO3/SrTiO3 or LaTiO3/SrTiO3 interfaces displays many different properties and functionalities. However, there are clear experimental indications that the interface electronic state is strongly inhomogeneous and therefore it is crucial to investigate possible intrinsic mechanisms underlying this inhomogeneity. Here, the electrostatic potential confining the electron gas at the interface is calculated self-consistently, finding that such confinement may induce phase separation, to avoid a thermodynamically unstable state with a negative compressibility. This provides a robust mechanism for the inhomogeneous character of these interfaces.

Bond strength and interface energy between Pd membranes and TiAl supports

NASA Astrophysics Data System (ADS)

Gong, H. R.; He, Y. H.; Huang, B. Y.

2008-09-01

Intermetallic TiAl alloy is proposed as a promising support for Pd membranes. First principles calculations reveal that coherent Pd/TiAl interfaces possess high values of bond strengths. Calculations also show that Ti-terminated (100) Pd/(100) TiAl and (110) Pd/(110) TiAl interfaces are energetically favorable with negative interface energies of about -3.1 J/m2, and that the bond strengths of Pd-Ti are bigger than those of Pd-Al. In addition, densities of states calculations suggest that a stronger chemical bonding is formed in the Pd/TiAl interface than corresponding Pd or TiAl bulks, which agrees well with similar experimental observations in literature.

Theory of Interface States at Silicon / Transition - - Silicide Interfaces.

NASA Astrophysics Data System (ADS)

Lim, Hunhwa

The Si/NiSi(,2)(111) interface is of both fundamental and techno- logical interest: From the fundamental point of view, it is the best characterized of all semiconductor/metal interfaces, with two well-determined geometries (A and B) involving nearly perfect bonding. (This is because Si and NiSi(,2) have nearly the same lattice spacing.) Consequently, a theoretical treatment of this system makes sense--as it would not for messier systems--and one can have some confidence that the theoretical predictions are relevant to experimental observa- tions. From the technological point of view, Si/NiSi(,2) is representative of the class of semiconductor/metal interfaces that are currently of greatest interest in regard to electronic devices--Si/transition -metal-silicide interfaces. The calculations of this dissertation are for the intrinsic interface states of Si/NiSi(,2)-A geometry. These calculations also provide a foundation for later studies of defects at this interface, and for studies of other related systems, such as CoSi(,2). The calculations employ empirical tight-binding Hamiltonians for both Si and NiSi(,2) (with the parameters fitted to prior calculations of the bulk band structures, which appear to be in agreement with the available experimental data on bulk Si and NiSi(,2)). They also employ Green's function techniques--in particular, the subspace Hamiltonian technique. Our principal results are the following: (1) Interface state disper- sion curves are predicted along the symmetry lines (')(GAMMA)(')M, (')M(')K and (')K(')(GAMMA) of the surface Brillouin zone. (2) A prominent band of interface states is found which disperses downward from an energy within the Si band gap to an energy below the Si valence band edge E(,(upsilon)) as the planar wavevector (')k increases from (')(GAMMA) ((')k = 0) to (')M or (')K (symmetry points at boundary of the surface Brillouin zone). This band of inter- face states should be observable. It produces a peak in the surface density of states well below the valence band edge ((TURN)1 - 2eV below). Experimental studies to confirm these predictions would be of con- siderable interest. (3) These results may help to explain the intrinsic interface states already observed for another Si/transition -metal-silicide interface--Si/Pd(,2)Si. (4) Although observable in photo- emission experiments, these intrinsic interface states probably do not explain the observed Schottky barrier for Si/NiSi(,2), since they are primarily associated with the metal (NiSi(,2)) rather than the semi- conductor (Si). This appears to indicate that defect states are the best candidate to explain the Schottky barrier. For this conclusion to be definitive, further studies of the proper- ties of the intrinsic states are required. Perhaps more importantly, the defect states themselves need to be calculated. Such calculations are planned for the future. The present theory can also be applied to other Si/transition-metal-silicide interfaces, such as CoSi(,2).

Performance and Reliability of Bonded Interfaces for High-Temperature Packaging

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

DeVoto, Douglas

2016-06-08

This is a technical review of the DOE VTO EDT project EDT063, Performance and Reliability of Bonded Interfaces for High-Temperature Packaging. A procedure for analyzing the reliability of sintered-silver through experimental thermal cycling and crack propagation modeling has been outlined and results have been presented.

Diffuse X-ray scattering near a two-dimensional solid–liquid phase transition at the n-hexane–water interface

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

Tikhonov, A. M.

According to experimental data on X-ray scattering and reflectometry with synchrotron radiation, a twodimensional crystallization phase transition in a monolayer of melissic acid at the n-hexane–water interface with a decrease in the temperature occurs after a wetting transition.

Collapse of a Liquid Column: Numerical Simulation and Experimental Validation

NASA Astrophysics Data System (ADS)

Cruchaga, Marcela A.; Celentano, Diego J.; Tezduyar, Tayfun E.

2007-03-01

This paper is focused on the numerical and experimental analyses of the collapse of a liquid column. The measurements of the interface position in a set of experiments carried out with shampoo and water for two different initial column aspect ratios are presented together with the corresponding numerical predictions. The experimental procedure was found to provide acceptable recurrence in the observation of the interface evolution. Basic models describing some of the relevant physical aspects, e.g. wall friction and turbulence, are included in the simulations. Numerical experiments are conducted to evaluate the influence of the parameters involved in the modeling by comparing the results with the data from the measurements. The numerical predictions reasonably describe the physical trends.

Understanding the Interface Dipole of Copper Phthalocyanine (CuPc)/C60: Theory and Experiment.

PubMed

Sai, Na; Gearba, Raluca; Dolocan, Andrei; Tritsch, John R; Chan, Wai-Lun; Chelikowsky, James R; Leung, Kevin; Zhu, Xiaoyang

2012-08-16

Interface dipole determines the electronic energy alignment in donor/acceptor interfaces and plays an important role in organic photovoltaics. Here we present a study combining first principles density functional theory (DFT) with ultraviolet photoemission spectroscopy (UPS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS) to investigate the interface dipole, energy level alignment, and structural properties at the interface between CuPc and C60. DFT finds a sizable interface dipole for the face-on orientation, in quantitative agreement with the UPS measurement, and rules out charge transfer as the origin of the interface dipole. Using TOF-SIMS, we show that the interfacial morphology for the bilayer CuPc/C60 film is characterized by molecular intermixing, containing both the face-on and the edge-on orientation. The complementary experimental and theoretical results provide both insight into the origin of the interface dipole and direct evidence for the effect of interfacial morphology on the interface dipole.

Assessing the Role of Experimental Evidence for Interface Judgment: Licensing of Negative Polarity Items, Scalar Readings, and Focus

PubMed Central

Giannakidou, Anastasia; Etxeberria, Urtzi

2018-01-01

This paper reviews a series of experimental studies that address what we call “interface judgment,” which is the complex judgment involving integration from multiple levels of grammatical representation such as the syntax-semantics and prosody-semantics interface. We first discuss the results from the ERP literature connected to NPI licensing in different languages, paying particular attention to the N400 and the P600 as neural correlates of this specific phenomenon and focusing on the study by Xiang et al. (2016). The results of this study show evidence that there are two distinct NPI licensing mechanisms, i.e., licensing and rescuing, in line with Giannakidou (1998, 2006). Then we discuss an acceptability judgment task on Greek NPIs which supports the negativity as a scale hypothesis (Zwarts, 1995, 1996; Giannakidou, 1998). For the semantics-prosody interface judgment, we discuss two types of findings on two different phenomena and languages: (i) the study by Giannakidou and Yoon (2016) on scalar and non-scalar NPIs in Greek and Korean, which serves as the foundation for Chatzikonstantinou's (2016) study of production data showing distinct prosodic properties in emphatic (scalar) and non-emphatic (non-scalar) Greek NPIs; (ii) a (production and perception) study by Etxeberria and Irurtzun (2015) on the prosodic disambiguation of the scalar/non-scalar readings of sentences containing the focus particle “ere” in Basque. The main conclusion of the paper is that experimental methods of the kind discussed in the paper are useful in establishing physical, quantitative correlates of interface judgment. PMID:29515470

Numerical Modeling Describing the Effects of Heterogeneous Distributions of Asperities on the Quasi-static Evolution of Frictional Slip

NASA Astrophysics Data System (ADS)

Selvadurai, P. A.; Parker, J. M.; Glaser, S. D.

2017-12-01

A better understanding of how slip accumulates along faults and its relation to the breakdown of shear stress is beneficial to many engineering disciplines, such as, hydraulic fracture and understanding induced seismicity (among others). Asperities forming along a preexisting fault resist the relative motion of the two sides of the interface and occur due to the interaction of the surface topographies. Here, we employ a finite element model to simulate circular partial slip asperities along a nominally flat frictional interface. Shear behavior of our partial slip asperity model closely matched the theory described by Cattaneo. The asperity model was employed to simulate a small section of an experimental fault formed between two bodies of polymethyl methacrylate, which consisted of multiple asperities whose location and sizes were directly measured using a pressure sensitive film. The quasi-static shear behavior of the interface was modeled for cyclical loading conditions, and the frictional dissipation (hysteresis) was normal stress dependent. We further our understanding by synthetically modeling lognormal size distributions of asperities that were randomly distributed in space. Synthetic distributions conserved the real contact area and aspects of the size distributions from the experimental case, allowing us to compare the constitutive behaviors based solely on spacing effects. Traction-slip behavior of the experimental interface appears to be considerably affected by spatial clustering of asperities that was not present in the randomly spaced, synthetic asperity distributions. Estimates of bulk interfacial shear stiffness were determined from the constitutive traction-slip behavior and were comparable to the theoretical estimates of multi-contact interfaces with non-interacting asperities.

Interfacing the Controllogics PLC over Ethernet/IP.

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

Kasemir, K. U.; Dalesio, L. R.

2001-01-01

The Allen-Bradley ControlLogix [1] line of programmable logic controllers (PLCs) offers several interfaces: Ethernet, ControlNet, DeviceNet, RS-232 and others. The ControlLogix Ethernet interface module 1756-ENET uses EtherNet/IP, the ControlNet protocol [2], encapsulated in Ethernet packages, with specific service codes [3]. A driver for the Experimental Physics and Industrial Control System (EPICS) has been developed that utilizes this EtherNet/IP protocol for controllers running the vxWorks RTOS as well as a Win32 and Unix/Linux test program. Features, performance and limitations of this interface are presented.

Assessing the Depth of Cognitive Processing as the Basis for Potential User-State Adaptation

PubMed Central

Nicolae, Irina-Emilia; Acqualagna, Laura; Blankertz, Benjamin

2017-01-01

Objective: Decoding neurocognitive processes on a single-trial basis with Brain-Computer Interface (BCI) techniques can reveal the user's internal interpretation of the current situation. Such information can potentially be exploited to make devices and interfaces more user aware. In this line of research, we took a further step by studying neural correlates of different levels of cognitive processes and developing a method that allows to quantify how deeply presented information is processed in the brain. Methods/Approach: Seventeen participants took part in an EEG study in which we evaluated different levels of cognitive processing (no processing, shallow, and deep processing) within three distinct domains (memory, language, and visual imagination). Our investigations showed gradual differences in the amplitudes of event-related potentials (ERPs) and in the extend and duration of event-related desynchronization (ERD) which both correlate with task difficulty. We performed multi-modal classification to map the measured correlates of neurocognitive processing to the corresponding level of processing. Results: Successful classification of the neural components was achieved, which reflects the level of cognitive processing performed by the participants. The results show performances above chance level for each participant and a mean performance of 70–90% for all conditions and classification pairs. Significance: The successful estimation of the level of cognition on a single-trial basis supports the feasibility of user-state adaptation based on ongoing neural activity. There is a variety of potential use cases such as: a user-friendly adaptive design of an interface or the development of assistance systems in safety critical workplaces. PMID:29046625

Assessing the Depth of Cognitive Processing as the Basis for Potential User-State Adaptation.

PubMed

Nicolae, Irina-Emilia; Acqualagna, Laura; Blankertz, Benjamin

2017-01-01

Objective: Decoding neurocognitive processes on a single-trial basis with Brain-Computer Interface (BCI) techniques can reveal the user's internal interpretation of the current situation. Such information can potentially be exploited to make devices and interfaces more user aware. In this line of research, we took a further step by studying neural correlates of different levels of cognitive processes and developing a method that allows to quantify how deeply presented information is processed in the brain. Methods/Approach: Seventeen participants took part in an EEG study in which we evaluated different levels of cognitive processing (no processing, shallow, and deep processing) within three distinct domains (memory, language, and visual imagination). Our investigations showed gradual differences in the amplitudes of event-related potentials (ERPs) and in the extend and duration of event-related desynchronization (ERD) which both correlate with task difficulty. We performed multi-modal classification to map the measured correlates of neurocognitive processing to the corresponding level of processing. Results: Successful classification of the neural components was achieved, which reflects the level of cognitive processing performed by the participants. The results show performances above chance level for each participant and a mean performance of 70-90% for all conditions and classification pairs. Significance: The successful estimation of the level of cognition on a single-trial basis supports the feasibility of user-state adaptation based on ongoing neural activity. There is a variety of potential use cases such as: a user-friendly adaptive design of an interface or the development of assistance systems in safety critical workplaces.

Human-system Interfaces to Automatic Systems: Review Guidance and Technical Basis

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

OHara, J.M.; Higgins, J.C.

Automation has become ubiquitous in modern complex systems and commercial nuclear power plants are no exception. Beyond the control of plant functions and systems, automation is applied to a wide range of additional functions including monitoring and detection, situation assessment, response planning, response implementation, and interface management. Automation has become a 'team player' supporting plant personnel in nearly all aspects of plant operation. In light of the increasing use and importance of automation in new and future plants, guidance is needed to enable the NRC staff to conduct safety reviews of the human factors engineering (HFE) aspects of modern automation.more » The objective of the research described in this report was to develop guidance for reviewing the operator's interface with automation. We first developed a characterization of the important HFE aspects of automation based on how it is implemented in current systems. The characterization included five dimensions: Level of automation, function of automation, modes of automation, flexibility of allocation, and reliability of automation. Next, we reviewed literature pertaining to the effects of these aspects of automation on human performance and the design of human-system interfaces (HSIs) for automation. Then, we used the technical basis established by the literature to develop design review guidance. The guidance is divided into the following seven topics: Automation displays, interaction and control, automation modes, automation levels, adaptive automation, error tolerance and failure management, and HSI integration. In addition, we identified insights into the automaton design process, operator training, and operations.« less

The Design of an Interface to a Programming System and MENUNIX: A Menu-Based Interface to UNIX (User Manual). Two Papers in Cognitive Engineering. Technical Report No. 8105.

ERIC Educational Resources Information Center

Perlman, Gary

This report consists of two papers on MENUNIX, an experimental interface to the approximately 300 programs and files available on the Berkeley UNIX 4.0 version of the UNIX operating system. The first paper discusses some of the psychological concerns involved in the design of MENUNIX; the second is a tutorial user manual for MENUNIX, in which the…

Brain Computer Interfaces for Enhanced Interaction with Mobile Robot Agents

DTIC Science & Technology

2016-07-27

synergistic and complementary way. This project focused on acquiring a mobile robotic agent platform that can be used to explore these interfaces...providing a test environment where the human control of a robot agent can be experimentally validated in 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND...Distribution Unlimited UU UU UU UU 27-07-2016 17-Sep-2013 16-Sep-2014 Final Report: Brain Computer Interfaces for Enhanced Interactions with Mobile Robot

Ubiquitous computing to support co-located clinical teams: using the semiotics of physical objects in system design.

PubMed

Bang, Magnus; Timpka, Toomas

2007-06-01

Co-located teams often use material objects to communicate messages in collaboration. Modern desktop computing systems with abstract graphical user interface (GUIs) fail to support this material dimension of inter-personal communication. The aim of this study is to investigate how tangible user interfaces can be used in computer systems to better support collaborative routines among co-located clinical teams. The semiotics of physical objects used in team collaboration was analyzed from data collected during 1 month of observations at an emergency room. The resulting set of communication patterns was used as a framework when designing an experimental system. Following the principles of augmented reality, physical objects were mapped into a physical user interface with the goal of maintaining the symbolic value of those objects. NOSTOS is an experimental ubiquitous computing environment that takes advantage of interaction devices integrated into the traditional clinical environment, including digital pens, walk-up displays, and a digital desk. The design uses familiar workplace tools to function as user interfaces to the computer in order to exploit established cognitive and collaborative routines. Paper-based tangible user interfaces and digital desks are promising technologies for co-located clinical teams. A key issue that needs to be solved before employing such solutions in practice is associated with limited feedback from the passive paper interfaces.

Nanoscale deformation measurements for reliability assessment of material interfaces

NASA Astrophysics Data System (ADS)

Keller, Jürgen; Gollhardt, Astrid; Vogel, Dietmar; Michel, Bernd

2006-03-01

With the development and application of micro/nano electronic mechanical systems (MEMS, NEMS) for a variety of market segments new reliability issues will arise. The understanding of material interfaces is the key for a successful design for reliability of MEMS/NEMS and sensor systems. Furthermore in the field of BIOMEMS newly developed advanced materials and well known engineering materials are combined despite of fully developed reliability concepts for such devices and components. In addition the increasing interface-to volume ratio in highly integrated systems and nanoparticle filled materials are challenges for experimental reliability evaluation. New strategies for reliability assessment on the submicron scale are essential to fulfil the needs of future devices. In this paper a nanoscale resolution experimental method for the measurement of thermo-mechanical deformation at material interfaces is introduced. The determination of displacement fields is based on scanning probe microscopy (SPM) data. In-situ SPM scans of the analyzed object (i.e. material interface) are carried out at different thermo-mechanical load states. The obtained images are compared by grayscale cross correlation algorithms. This allows the tracking of local image patterns of the analyzed surface structure. The measurement results are full-field displacement fields with nanometer resolution. With the obtained data the mixed mode type of loading at material interfaces can be analyzed with highest resolution for future needs in micro system and nanotechnology.

Experimental study of hybrid interface cooling system using air ventilation and nanofluid

NASA Astrophysics Data System (ADS)

Rani, M. F. H.; Razlan, Z. M.; Bakar, S. A.; Desa, H.; Wan, W. K.; Ibrahim, I.; Kamarrudin, N. S.; Bin-Abdun, Nazih A.

2017-09-01

The hybrid interface cooling system needs to be established to chill the battery compartment of electric car and maintained its ambient temperature inside the compartment between 25°C to 35°C. The air cooling experiment has been conducted to verify the cooling capacity, compressor displacement volume, dehumidifying value and mass flow rate of refrigerant (R-410A). At the same time, liquid cooling system is analysed theoretically by comparing the performance of two types of nanofluid, i.e., CuO + Water and Al2O3 + Water, based on the heat load generated inside the compartment. In order for the result obtained to be valid and reliable, several assumptions are considered during the experimental and theoretical analysis. Results show that the efficiency of the hybrid interface cooling system is improved as compared to the individual cooling system.

Electro-mechanical probe positioning system for large volume plasma device

NASA Astrophysics Data System (ADS)

Sanyasi, A. K.; Sugandhi, R.; Srivastava, P. K.; Srivastav, Prabhakar; Awasthi, L. M.

2018-05-01

An automated electro-mechanical system for the positioning of plasma diagnostics has been designed and implemented in a Large Volume Plasma Device (LVPD). The system consists of 12 electro-mechanical assemblies, which are orchestrated using the Modbus communication protocol on 4-wire RS485 communications to meet the experimental requirements. Each assembly has a lead screw-based mechanical structure, Wilson feed-through-based vacuum interface, bipolar stepper motor, micro-controller-based stepper drive, and optical encoder for online positioning correction of probes. The novelty of the system lies in the orchestration of multiple drives on a single interface, fabrication and installation of the system for a large experimental device like the LVPD, in-house developed software, and adopted architectural practices. The paper discusses the design, description of hardware and software interfaces, and performance results in LVPD.

MIB Galerkin method for elliptic interface problems.

PubMed

Xia, Kelin; Zhan, Meng; Wei, Guo-Wei

2014-12-15

Material interfaces are omnipresent in the real-world structures and devices. Mathematical modeling of material interfaces often leads to elliptic partial differential equations (PDEs) with discontinuous coefficients and singular sources, which are commonly called elliptic interface problems. The development of high-order numerical schemes for elliptic interface problems has become a well defined field in applied and computational mathematics and attracted much attention in the past decades. Despite of significant advances, challenges remain in the construction of high-order schemes for nonsmooth interfaces, i.e., interfaces with geometric singularities, such as tips, cusps and sharp edges. The challenge of geometric singularities is amplified when they are associated with low solution regularities, e.g., tip-geometry effects in many fields. The present work introduces a matched interface and boundary (MIB) Galerkin method for solving two-dimensional (2D) elliptic PDEs with complex interfaces, geometric singularities and low solution regularities. The Cartesian grid based triangular elements are employed to avoid the time consuming mesh generation procedure. Consequently, the interface cuts through elements. To ensure the continuity of classic basis functions across the interface, two sets of overlapping elements, called MIB elements, are defined near the interface. As a result, differentiation can be computed near the interface as if there is no interface. Interpolation functions are constructed on MIB element spaces to smoothly extend function values across the interface. A set of lowest order interface jump conditions is enforced on the interface, which in turn, determines the interpolation functions. The performance of the proposed MIB Galerkin finite element method is validated by numerical experiments with a wide range of interface geometries, geometric singularities, low regularity solutions and grid resolutions. Extensive numerical studies confirm the designed second order convergence of the MIB Galerkin method in the L ∞ and L 2 errors. Some of the best results are obtained in the present work when the interface is C 1 or Lipschitz continuous and the solution is C 2 continuous.

Ductile sliding between mineral crystals followed by rupture of collagen crosslinks: experimentally supported micromechanical explanation of bone strength.

PubMed

Fritsch, Andreas; Hellmich, Christian; Dormieux, Luc

2009-09-21

There is an ongoing discussion on how bone strength could be explained from its internal structure and composition. Reviewing recent experimental and molecular dynamics studies, we here propose a new vision on bone material failure: mutual ductile sliding of hydroxyapatite mineral crystals along layered water films is followed by rupture of collagen crosslinks. In order to cast this vision into a mathematical form, a multiscale continuum micromechanics theory for upscaling of elastoplastic properties is developed, based on the concept of concentration and influence tensors for eigenstressed microheterogeneous materials. The model reflects bone's hierarchical organization, in terms of representative volume elements for cortical bone, for extravascular and extracellular bone material, for mineralized fibrils and the extrafibrillar space, and for wet collagen. In order to get access to the stress states at the interfaces between crystals, the extrafibrillar mineral is resolved into an infinite amount of cylindrical material phases oriented in all directions in space. The multiscale micromechanics model is shown to be able to satisfactorily predict the strength characteristics of different bones from different species, on the basis of their mineral/collagen content, their intercrystalline, intermolecular, lacunar, and vascular porosities, and the elastic and strength properties of hydroxyapatite and (molecular) collagen.

AP-IO: asynchronous pipeline I/O for hiding periodic output cost in CFD simulation.

PubMed

Xiaoguang, Ren; Xinhai, Xu

2014-01-01

Computational fluid dynamics (CFD) simulation often needs to periodically output intermediate results to files in the form of snapshots for visualization or restart, which seriously impacts the performance. In this paper, we present asynchronous pipeline I/O (AP-IO) optimization scheme for the periodically snapshot output on the basis of asynchronous I/O and CFD application characteristics. In AP-IO, dedicated background I/O processes or threads are in charge of handling the file write in pipeline mode, therefore the write overhead can be hidden with more calculation than classic asynchronous I/O. We design the framework of AP-IO and implement it in OpenFOAM, providing CFD users with a user-friendly interface. Experimental results on the Tianhe-2 supercomputer demonstrate that AP-IO can achieve a good optimization effect for the periodical snapshot output in CFD application, and the effect is especially better for massively parallel CFD simulations, which can reduce the total execution time up to about 40%.

Band-gap tuning and optical response of two-dimensional Si x C 1 - x : A first-principles real-space study of disordered two-dimensional materials

DOE PAGES

Sadhukhan, Banasree; Singh, Prashant; Nayak, Arabinda; ...

2017-08-09

We present a real-space formulation for calculating the electronic structure and optical conductivity of random alloys based on Kubo-Greenwood formalism interfaced with augmented space recursion technique formulated with the tight-binding linear muffin-tin orbital basis with the van Leeuwen–Baerends corrected exchange potential. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of two-dimensional honeycomb siliphene Si xC 1–x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic structure and optical response over a wide energy range, and the results are discussedmore » in the light of the available experimental and other theoretical data. As a result, our proposed formalism may open up a facile way for planned band-gap engineering in optoelectronic applications.« less

Mimicking Neurotransmitter Release in Chemical Synapses via Hysteresis Engineering in MoS2 Transistors.

PubMed

Arnold, Andrew J; Razavieh, Ali; Nasr, Joseph R; Schulman, Daniel S; Eichfeld, Chad M; Das, Saptarshi

2017-03-28

Neurotransmitter release in chemical synapses is fundamental to diverse brain functions such as motor action, learning, cognition, emotion, perception, and consciousness. Moreover, improper functioning or abnormal release of neurotransmitter is associated with numerous neurological disorders such as epilepsy, sclerosis, schizophrenia, Alzheimer's disease, and Parkinson's disease. We have utilized hysteresis engineering in a back-gated MoS 2 field effect transistor (FET) in order to mimic such neurotransmitter release dynamics in chemical synapses. All three essential features, i.e., quantal, stochastic, and excitatory or inhibitory nature of neurotransmitter release, were accurately captured in our experimental demonstration. We also mimicked an important phenomenon called long-term potentiation (LTP), which forms the basis of human memory. Finally, we demonstrated how to engineer the LTP time by operating the MoS 2 FET in different regimes. Our findings could provide a critical component toward the design of next-generation smart and intelligent human-like machines and human-machine interfaces.

AP-IO: Asynchronous Pipeline I/O for Hiding Periodic Output Cost in CFD Simulation

PubMed Central

Xiaoguang, Ren; Xinhai, Xu

2014-01-01

Computational fluid dynamics (CFD) simulation often needs to periodically output intermediate results to files in the form of snapshots for visualization or restart, which seriously impacts the performance. In this paper, we present asynchronous pipeline I/O (AP-IO) optimization scheme for the periodically snapshot output on the basis of asynchronous I/O and CFD application characteristics. In AP-IO, dedicated background I/O processes or threads are in charge of handling the file write in pipeline mode, therefore the write overhead can be hidden with more calculation than classic asynchronous I/O. We design the framework of AP-IO and implement it in OpenFOAM, providing CFD users with a user-friendly interface. Experimental results on the Tianhe-2 supercomputer demonstrate that AP-IO can achieve a good optimization effect for the periodical snapshot output in CFD application, and the effect is especially better for massively parallel CFD simulations, which can reduce the total execution time up to about 40%. PMID:24955390

Experimental investigation of a 0.15 scale model of a conformal variable-ramp inlet for the F-16 airplane

NASA Technical Reports Server (NTRS)

Hawkins, J. E.

1980-01-01

A 0.15 scale model of a proposed conformal variable-ramp inlet for the Multirole Fighter was tested from Mach 0.8 to 2.2 at a wide range of angles of attack and sideslip. Inlet ramp angle was varied to optimize ramp angle as a function of engine airflow, Mach number, angle of attack, and angle of sideslip. Several inlet configuration options were investigated to study their effects on inlet operation and to establish the final flight configuration. These variations were cowl sidewall cutback, cowl lip bluntness, boundary layer bleed, and first-ramp leading edge shape. Diagnostic and engine face instrumentation were used to evaluate inlet operation at various inlet stations and at the inlet/engine interface. Pressure recovery and stability of the inlet were satisfactory for the proposed application. On the basis of an engine stability audit of the worst-case instantaneous distortion patterns, no inlet/engine compatibility problems are expected for normal operations.

Nonlinearity in bacterial population dynamics: Proposal for experiments for the observation of abrupt transitions in patches

PubMed Central

Kenkre, V. M.; Kumar, Niraj

2008-01-01

An explicit proposal for experiments leading to abrupt transitions in spatially extended bacterial populations in a Petri dish is presented on the basis of an exact formula obtained through an analytic theory. The theory provides accurately the transition expressions despite the fact that the actual solutions, which involve strong nonlinearity, are inaccessible to it. The analytic expressions are verified through numerical solutions of the relevant nonlinear equation. The experimental setup suggested uses opaque masks in a Petri dish bathed in ultraviolet radiation [Lin A-L, et al. (2004) Biophys J 87:75–80 and Perry N (2005) J R Soc Interface 2:379–387], but is based on the interplay of two distances the bacteria must traverse, one of them favorable and the other adverse. As a result of this interplay feature, the experiments proposed introduce highly enhanced reliability in interpretation of observations and in the potential for extraction of system parameters. PMID:19033185

Mechanisms of leading edge protrusion in interstitial migration

PubMed Central

Wilson, Kerry; Lewalle, Alexandre; Fritzsche, Marco; Thorogate, Richard; Duke, Tom; Charras, Guillaume

2013-01-01

While the molecular and biophysical mechanisms underlying cell protrusion on two-dimensional substrates are well understood, our knowledge of the actin structures driving protrusion in three-dimensional environments is poor, despite relevance to inflammation, development and cancer. Here we report that, during chemotactic migration through microchannels with 5 μm × 5 μm cross-sections, HL60 neutrophil-like cells assemble an actin-rich slab filling the whole channel cross-section at their front. This leading edge comprises two distinct F-actin networks: an adherent network that polymerizes perpendicular to cell-wall interfaces and a ‘free’ network that grows from the free membrane at the cell front. Each network is polymerized by a distinct nucleator and, due to their geometrical arrangement, the networks interact mechanically. On the basis of our experimental data, we propose that, during interstitial migration, medial growth of the adherent network compresses the free network preventing its retrograde movement and enabling new polymerization to be converted into forward protrusion. PMID:24305616

X-ray micro-beam techniques and phase contrast tomography applied to biomaterials

NASA Astrophysics Data System (ADS)

Fratini, Michela; Campi, Gaetano; Bukreeva, Inna; Pelliccia, Daniele; Burghammer, Manfred; Tromba, Giuliana; Cancedda, Ranieri; Mastrogiacomo, Maddalena; Cedola, Alessia

2015-12-01

A deeper comprehension of the biomineralization (BM) process is at the basis of tissue engineering and regenerative medicine developments. Several in-vivo and in-vitro studies were dedicated to this purpose via the application of 2D and 3D diagnostic techniques. Here, we develop a new methodology, based on different complementary experimental techniques (X-ray phase contrast tomography, micro-X-ray diffraction and micro-X-ray fluorescence scanning technique) coupled to new analytical tools. A qualitative and quantitative structural investigation, from the atomic to the micrometric length scale, is obtained for engineered bone tissues. The high spatial resolution achieved by X-ray scanning techniques allows us to monitor the bone formation at the first-formed mineral deposit at the organic-mineral interface within a porous scaffold. This work aims at providing a full comprehension of the morphology and functionality of the biomineralization process, which is of key importance for developing new drugs for preventing and healing bone diseases and for the development of bio-inspired materials.

Band-gap tuning and optical response of two-dimensional Si x C 1 - x : A first-principles real-space study of disordered two-dimensional materials

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

Sadhukhan, Banasree; Singh, Prashant; Nayak, Arabinda

We present a real-space formulation for calculating the electronic structure and optical conductivity of random alloys based on Kubo-Greenwood formalism interfaced with augmented space recursion technique formulated with the tight-binding linear muffin-tin orbital basis with the van Leeuwen–Baerends corrected exchange potential. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of two-dimensional honeycomb siliphene Si xC 1–x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic structure and optical response over a wide energy range, and the results are discussedmore » in the light of the available experimental and other theoretical data. As a result, our proposed formalism may open up a facile way for planned band-gap engineering in optoelectronic applications.« less

Imaging of human tooth using ultrasound based chirp-coded nonlinear time reversal acoustics.

PubMed

Dos Santos, Serge; Prevorovsky, Zdenek

2011-08-01

Human tooth imaging sonography is investigated experimentally with an acousto-optic noncoupling set-up based on the chirp-coded nonlinear time reversal acoustic concept. The complexity of the tooth internal structure (enamel-dentine interface, cracks between internal tubules) is analyzed by adapting the nonlinear elastic wave spectroscopy (NEWS) with the objective of the tomography of damage. Optimization of excitations using intrinsic symmetries, such as time reversal (TR) invariance, reciprocity, correlation properties are then proposed and implemented experimentally. The proposed medical application of this TR-NEWS approach is implemented on a third molar human tooth and constitutes an alternative of noncoupling echodentography techniques. A 10 MHz bandwidth ultrasonic instrumentation has been developed including a laser vibrometer and a 20 MHz contact piezoelectric transducer. The calibrated chirp-coded TR-NEWS imaging of the tooth is obtained using symmetrized excitations, pre- and post-signal processing, and the highly sensitive 14 bit resolution TR-NEWS instrumentation previously calibrated. Nonlinear signature coming from the symmetry properties is observed experimentally in the tooth using this bi-modal TR-NEWS imaging after and before the focusing induced by the time-compression process. The TR-NEWS polar B-scan of the tooth is described and suggested as a potential application for modern echodentography. It constitutes the basis of the self-consistent harmonic imaging sonography for monitoring cracks propagation in the dentine, responsible of human tooth structural health. Copyright © 2011 Elsevier B.V. All rights reserved.

Structure and energetic basis of overrepresented λ light chain in systemic light chain amyloidosis patients.

PubMed

Zhao, Jun; Zhang, Baohong; Zhu, Jianwei; Nussinov, Ruth; Ma, Buyong

2018-06-01

Amyloid formation and deposition of immunoglobulin light-chain proteins in systemic amyloidosis (AL) cause major organ failures. While the κ light-chain is dominant (λ/κ=1:2) in healthy individuals, λ is highly overrepresented (λ/κ=3:1) in AL patients. The structural basis of the amyloid formation and the sequence preference are unknown. We examined the correlation between sequence and structural stability of dimeric variable domains of immunoglobulin light chains using molecular dynamics simulations of 24 representative dimer interfaces, followed by energy evaluation of conformational ensembles for 20 AL patients' light chain sequences. We identified a stable interface with displaced N-terminal residues, provides the structural basis for AL protein fibrils formation. Proline isomerization may cause the N-terminus to adopt amyloid-prone conformations. We found that λ light-chains prefer misfolded dimer conformation, while κ chain structures are stabilized by a natively folded dimer. Our study may facilitate structure-based small molecule and antibody design to inhibit AL. This article is part of a Special Issue entitled: Accelerating Precision Medicine through Genetic and Genomic Big Data Analysis edited by Yudong Cai & Tao Huang. Copyright © 2017 Elsevier B.V. All rights reserved.

Intercalated water layers promote thermal dissipation at bio-nano interfaces.

PubMed

Wang, Yanlei; Qin, Zhao; Buehler, Markus J; Xu, Zhiping

2016-09-23

The increasing interest in developing nanodevices for biophysical and biomedical applications results in concerns about thermal management at interfaces between tissues and electronic devices. However, there is neither sufficient knowledge nor suitable tools for the characterization of thermal properties at interfaces between materials of contrasting mechanics, which are essential for design with reliability. Here we use computational simulations to quantify thermal transfer across the cell membrane-graphene interface. We find that the intercalated water displays a layered order below a critical value of ∼1 nm nanoconfinement, mediating the interfacial thermal coupling, and efficiently enhancing the thermal dissipation. We thereafter develop an analytical model to evaluate the critical value for power generation in graphene before significant heat is accumulated to disturb living tissues. These findings may provide a basis for the rational design of wearable and implantable nanodevices in biosensing and thermotherapic treatments where thermal dissipation and transport processes are crucial.

SCAILET: An intelligent assistant for satellite ground terminal operations

NASA Technical Reports Server (NTRS)

Shahidi, A. K.; Crapo, J. A.; Schlegelmilch, R. F.; Reinhart, R. C.; Petrik, E. J.; Walters, J. L.; Jones, R. E.

1993-01-01

NASA Lewis Research Center has applied artificial intelligence to an advanced ground terminal. This software application is being deployed as an experimenter interface to the link evaluation terminal (LET) and was named Space Communication Artificial Intelligence for the Link Evaluation Terminal (SCAILET). The high-burst-rate (HBR) LET provides 30-GHz-transmitting and 20-GHz-receiving, 220-Mbps capability for wide band communications technology experiments with the Advanced Communication Technology Satellite (ACTS). The HBR-LET terminal consists of seven major subsystems. A minicomputer controls and monitors these subsystems through an IEEE-488 or RS-232 protocol interface. Programming scripts (test procedures defined by design engineers) configure the HBR-LET and permit data acquisition. However, the scripts are difficult to use, require a steep learning curve, are cryptic, and are hard to maintain. This discourages experimenters from utilizing the full capabilities of the HBR-LET system. An intelligent assistant module was developed as part of the SCAILET software. The intelligent assistant addresses critical experimenter needs by solving and resolving problems that are encountered during the configuring of the HBR-LET system. The intelligent assistant is a graphical user interface with an expert system running in the background. In order to further assist and familiarize an experimenter, an on-line hypertext documentation module was developed and included in the SCAILET software.

Experimental determination of heat transfer coefficients in roll bite and air cooling for computer simulations of 1100 MPa carbon steel rolling

NASA Astrophysics Data System (ADS)

Leinonen, Olli; Ilmola, Joonas; Seppälä, Oskari; Pohjonen, Aarne; Paavola, Jussi; Koskenniska, Sami; Larkiola, Jari

2018-05-01

In modeling of hot rolling pass schedules the heat transfer phenomena have to be known. Radiation to ambient, between rolls and a steel slab as well as heat transfer in contacts must be considered to achieve accurate temperature distribution and thereby accurate material behavior in simulations. Additional heat is generated by friction between the slab and the work roll and by plastic deformation. These phenomena must be taken into account when the effective heat transfer coefficient is determined from experimental data. In this paper we determine the effective heat transfer coefficient at the contact interface and emissivity factor of slab surface for 1100MPa strength carbon steel for hot rolling simulations. Experimental pilot rolling test were carried out and slab temperatures gathered right below the interface and at the mid thickness of the slab. Emissivity factor tests were carried out in the same manner but without rolling. Experimental data is utilized to derive contact heat transfer coefficient at the interface and emissivity factor of slab surface. Pilot rolling test is reproduced in FE-analysis to further refine the heat transfer coefficient and emissivity factor. Material mechanical properties at rolling temperatures were determined by Gleeble™ thermo-mechanical simulator and IDS thermodynamic-kinetic-empirical software.

Stereochemical analysis of (+)-limonene using theoretical and experimental NMR and chiroptical data

NASA Astrophysics Data System (ADS)

Reinscheid, F.; Reinscheid, U. M.

2016-02-01

Using limonene as test molecule, the success and the limitations of three chiroptical methods (optical rotatory dispersion (ORD), electronic and vibrational circular dichroism, ECD and VCD) could be demonstrated. At quite low levels of theory (mpw1pw91/cc-pvdz, IEFPCM (integral equation formalism polarizable continuum model)) the experimental ORD values differ by less than 10 units from the calculated values. The modelling in the condensed phase still represents a challenge so that experimental NMR data were used to test for aggregation and solvent-solute interactions. After establishing a reasonable structural model, only the ECD spectra prediction showed a decisive dependence on the basis set: only augmented (in the case of Dunning's basis sets) or diffuse (in the case of Pople's basis sets) basis sets predicted the position and shape of the ECD bands correctly. Based on these result we propose a procedure to assign the absolute configuration (AC) of an unknown compound using the comparison between experimental and calculated chiroptical data.

Magnetocapacitance and the physics of solid state interfaces

NASA Astrophysics Data System (ADS)

Hebard, Arthur

2008-10-01

When Herbert Kroemer stated in his Nobel address [1] that ``the interface is the device,'' he was implicitly acknowledging the importance of understanding the physics of interfaces. If interfaces are to have character traits, then ``impedance'' (or complex capacitance) would be a commonly used descriptor. In this talk I will discuss the use of magnetic fields to probe the ``character'' of a variety of interfaces including planar capacitor structures with magnetic electrodes, simple metal/semiconductor contacts (Schottky barriers) and the interface-dominated competition on microscopic length scales between ferromagnetic metallic and charge-ordered insulating phases in complex oxides. I will show that seeking experimental answers to surprisingly simple questions often leads to striking results that seriously challenge theoretical understanding. Perhaps Herbert Kroemer should have said, ``the interface is the device with a magnetic personality that continually surprises.'' [3pt] [1] Herbert Kroemer, ``Quasielectric fields and band offsets: teaching electron s new tricks,'' Nobel Lecture, December 8, 2000:

Theoretical investigation of magnetic properties in interfaces of magnetic nanoparticles and amorphous carbons

NASA Astrophysics Data System (ADS)

Sun, Shih-Jye; Hsu, Hua-Shu; Ovchinnikov, Sergei; Chen, Guan-Long

2017-06-01

Based on the experimental finding of the exchange bias in amorphous carbon samples with embedded Co nanoparticles and on the graphited character of the amorphous carbon interface confirmed by molecular dynamics simulations we have proposed the interface of graphited carbon to be antiferromagnetic. A theoretical model, which comprises the Kondo interactions in the interfaces of Co nanoparticles and the induced antiferromagnetic interactions in the graphited carbons, is employed to evaluate the ferromagnetism of the interfaces of Co nanoparticles. We have shown that the ferromagnetism of interfaces of Co nanoparticles will be enhanced by the increase of antiferromagnetic interaction as well as the increase of electron density in the graphited carbons. In particular, we found that the antiferromagnetic interactions in graphited carbons will change the spin-wave excitation in interfaces of Co nanoparticles from the quasiacoustic mode to the quasioptical one.

Investigation of piezoelectric impedance-based health monitoring of structure interface debonding

NASA Astrophysics Data System (ADS)

Xiao, Li; Chen, Guofeng; Chen, Xiaoming; Qu, Wenzhong

2016-04-01

Various damages might occur during the solid rocket motor (SRM) manufacturing/operational phase, and the debonding of propellant/insulator/composite case interfaces is one of damage types which determine the life of a motor. The detection of such interface debonding damage will be beneficial for developing techniques for reliable nondestructive evaluation (NDE) and structural health monitoring (SHM). Piezoelectric sensors are widely used for structural health monitoring technique. In particular, electromechanical impedance (EMI) techniques give simple and low-cost solutions for detecting damage in various structures. In this work, piezoelectric EMI structural health monitoring technique is applied to identify the debonding condition of propellant/insulator interface structure using finite element method and experimental investigation. A three-dimensional coupled field finite element model is developed using the software ANSYS and the harmonic analysis is conducted for high-frequency impedance analysis procedure. In the experimental study, the impedance signals were measured from PZT and MFC sensors outside attached to composite case monitoring the different debonding conditions between the propellant and insulator. Root mean square deviation (RMSD) based damage index is conducted to quantify the changes i n impedance for different de bonding conditions and frequency range. Simulation and experimental results confirmed that the EMI technique can be used effectively for detecting the debonding damage in SRM and is expected to be useful for future application of real SRM's SHM.

Network speech systems technology program

NASA Astrophysics Data System (ADS)

Weinstein, C. J.

1981-09-01

This report documents work performed during FY 1981 on the DCA-sponsored Network Speech Systems Technology Program. The two areas of work reported are: (1) communication system studies in support of the evolving Defense Switched Network (DSN) and (2) design and implementation of satellite/terrestrial interfaces for the Experimental Integrated Switched Network (EISN). The system studies focus on the development and evaluation of economical and endurable network routing procedures. Satellite/terrestrial interface development includes circuit-switched and packet-switched connections to the experimental wideband satellite network. Efforts in planning and coordination of EISN experiments are reported in detail in a separate EISN Experiment Plan.

A new technique for fire risk estimation in the wildland urban interface

NASA Astrophysics Data System (ADS)

Dasgupta, S.; Qu, J. J.; Hao, X.

A novel technique based on the physical variable of pre-ignition energy is proposed for assessing fire risk in the Grassland-Urban-Interface The physical basis lends meaning a site and season independent applicability possibilities for computing spread rates and ignition probabilities features contemporary fire risk indices usually lack The method requires estimates of grass moisture content and temperature A constrained radiative-transfer inversion scheme on MODIS NIR-SWIR reflectances which reduces solution ambiguity is used for grass moisture retrieval while MODIS land surface temperature emissivity products are used for retrieving grass temperature Subpixel urban contamination of the MODIS reflective and thermal signals over a Grassland-Urban-Interface pixel is corrected using periodic estimates of urban influence from high spatial resolution ASTER

Facet-Specific Adsorption of Tripeptides at Aqueous Au Interfaces: Open Questions in Reconciling Experiment and Simulation.

PubMed

Hughes, Zak E; Kochandra, Raji; Walsh, Tiffany R

2017-04-18

The adsorption of three homo-tripeptides, HHH, YYY, and SSS, at the aqueous Au interface is investigated, using molecular dynamics simulations. We find that consideration of surface facet effects, relevant to experimental conditions, opens up new questions regarding interpretations of current experimental findings. Our well-tempered metadynamics simulations predict the rank ordering of the tripeptide binding affinities at aqueous Au(111) to be YYY > HHH > SSS. This ranking differs with that obtained from existing experimental data which used surface-immobilized Au nanoparticles as the target substrate. The influence of Au facet on these experimental findings is then considered, via our binding strength predictions of the relevant amino acids at aqueous Au(111) and Au(100)(1 × 1). The Au(111) interface supports an amino acid ranking of Tyr > HisA ≃ HisH > Ser, matching that of the tripeptides on Au(111), while the ranking on Au(100) is HisA > Ser ≃ Tyr ≃ HisH, with only HisA showing non-negligible binding. The substantial reduction in Tyr amino acid affinity for Au(100) vs Au(111) offers one possible explanation for the experimentally observed weaker adsorption of YYY on the nanoparticle-immobilized substrate compared with HHH. In a separate set of simulations, we predict the structures of the adsorbed tripeptides at the two aqueous Au facets, revealing facet-dependent differences in the adsorbed conformations. Our findings suggest that Au facet effects, where relevant, may influence the adsorption structures and energetics of biomolecules, highlighting the possible influence of the structural model used to interpret experimental binding data.

26 CFR 1.1016-5 - Miscellaneous adjustments to basis.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 26 Internal Revenue 11 2010-04-01 2010-04-01 true Miscellaneous adjustments to basis. 1.1016-5... 551(f) or corresponding provisions of prior income tax laws. (j) Research and experimental expenditures. Research and experimental expenditures treated as deferred expenses under section 174(b) are...

Performance and Reliability of Bonded Interfaces for High-Temperature Packaging; NREL (National Renewable Energy Laboratory)

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

DeVoto, Douglas

2015-06-10

This is a technical review of the DOE VTO EDT project EDT063, Performance and Reliability of Bonded Interfaces for High-Temperature Packaging. A procedure for analyzing the reliability of sintered-silver through experimental thermal cycling and crack propagation modeling has been outlined and results have been presented.

Experimental Study and Fractal Analysis on the Anisotropic Performance of Explosively Welded Interfaces of 304 Stainless Steel/245 Carbon Steel

NASA Astrophysics Data System (ADS)

Fu, Yanshu; Qiu, Yaohui; Li, Yulong

2018-03-01

The mechanical anisotropy of an explosive welding composite plate made of 304 stainless steel/245 steel was studied through shear experiments performed on explosively welded wavy interfaces along several orientation angles. The results indicated that the strength and the fracture energy of samples significantly varied with the orientation angles. The fracture surfaces of all samples were observed using a scanning electron microscope and through three-dimensional structure microscopy. The periodic features of all the fracture surfaces were clearly shown in different fracture modes. The fractal dimension of the fracture surfaces was calculated based on the fractal geometry by the box-counting method in MATLAB. The cohesive element model was used to analyze the fracture energy according to the physical dependence of the fractal dimension on thermodynamic entropy and interface separation energy. The fracture energy was an exponential function of the fractal dimension value, which was in good agreement with the experimental results. All results were validated for effective use in the application of anisotropy analysis to the welded interface and structural optimization of explosively welded composite plates.

Photonic surface waves on metamaterial interfaces

NASA Astrophysics Data System (ADS)

Takayama, O.; Bogdanov, A. A.; Lavrinenko, A. V.

2017-11-01

A surface wave (SW) in optics is a light wave, which is supported at an interface of two dissimilar media and propagates along the interface with its field amplitude exponentially decaying away from the boundary. Research on surface waves has been flourishing in the last few decades due to their unique properties of surface sensitivity and field localization. These features have resulted in applications in nano-guiding, sensing, light-trapping and imaging based on near-field techniques, contributing to the establishment of nanophotonics as a field of research. Up to now, a wide variety of surface waves has been investigated in numerous material and structure settings. This article reviews the recent progress and development in the physics of SWs localized at metamaterial interfaces, as well as bulk media in order to provide broader perspectives on optical surface waves in general. For each type of surface wave, we discuss the material and structural platforms. We mainly focus on experimental realizations in the visible and near-infrared wavelength ranges. We also address existing and potential application of SWs in chemical and biological sensing, and experimental excitation and characterization methods.

Enhanced interfacial deformation in a Marangoni flow: A measure of the dynamical surface tension

NASA Astrophysics Data System (ADS)

Leite Pinto, Rodrigo; Le Roux, Sébastien; Cantat, Isabelle; Saint-Jalmes, Arnaud

2018-02-01

We investigate the flows and deformations resulting from the deposition of a water soluble surfactant at a bare oil-water interface. Once the surfactant is deposited, we show that the oil-water interface is deformed with a water bump rising upward into the oil. For a given oil, the maximal deformation—located at the surfactant deposition point—decreases with the oil-layer thickness. We also observe a critical oil-layer thickness below which the deformation becomes as large as the oil layer, leading to the rupture of this layer and an oil-water dewetting. Experimentally, it is found that this critical thickness depends on the oil density and viscosity. We then provide an analytical modelization that explains quantitatively all these experimental features. In particular, our analysis allows us to derive an analytical relationship between the vertical profile of the oil-water interface and the in-plane surface tension profile. Therefore, we propose that the monitoring of the interface vertical shape can be used as a new spatially resolved tensiometry technique.

Cellular Spacing Selection During the Directional Solidification of Binary Alloys. A Numerical Approach

NASA Technical Reports Server (NTRS)

Catalina, Adrian V.; Sen, S.; Rose, M. Franklin (Technical Monitor)

2001-01-01

The evolution of cellular solid/liquid interfaces from an initially unstable planar front was studied by means of a two-dimensional computer simulation. The developed numerical model makes use of an interface tracking procedure and has the capability to describe the dynamics of the interface morphology based on local changes of the thermodynamic conditions. The fundamental physics of this formulation was validated against experimental microgravity results and the predictions of the analytical linear stability theory. The performed simulations revealed that in certain conditions, based on a competitive growth mechanism, an interface could become unstable to random perturbations of infinitesimal amplitude even at wavelengths smaller than the neutral wavelength, lambda(sub c), predicted by the linear stability theory. Furthermore, two main stages of spacing selection have been identified. In the first stage, at low perturbations amplitude, the selection mechanism is driven by the maximum growth rate of instabilities while in the second stage the selection is influenced by nonlinear phenomena caused by the interactions between the neighboring cells. Comparison of these predictions with other existing theories of pattern formation and experimental results will be discussed.

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

Javaid, Saqib; National Centre of Physics, Islamabad 45320; Javed Akhtar, M., E-mail: javedakhtar6@gmail.com

Recently, experimental results have shown that photovoltaic properties of Fullerene (C60)/Phthalocyanine based devices improve considerably as molecular orientation is changed from edge-on to face-on. In this work, we have studied the impact of molecular orientation on C60/ZnPc interfacial properties, particularly focusing on experimentally observed face-on and edge-on configuration, using density functional theory based simulations. The results show that the interfacial electronic properties are strongly anisotropic: direction of charge transfer and interface dipole fluctuates as molecular orientation is switched. As a result of orientation dependant interface dipole, difference between acceptor LUMO and donor HOMO increases as the orientation is changed frommore » edge-on to face-on, suggesting a consequent increase in open circuit voltage (V{sub OC}). Moreover, adsorption and electronic properties indicate that the interfacial interactions are much stronger in the face-on configuration which should further facilitate the charge-separation process. These findings elucidate the energy level alignment at C60/ZnPc interface and help to identify interface dipole as the origin of the orientation dependence of V{sub OC}.« less

Thermal transport study across interface “nanostructured solid surface / fluid” by photoacoustic technique

NASA Astrophysics Data System (ADS)

Voitenko, K.; Isaiev, M.; Pastushenko, A.; Andrusenko, D.; Kuzmich, A.; Lysenko, V.; Burbelo, R.

2017-01-01

In the paper the experimental study of heat transport across the interface “porous silicon/liquid” by photoacoustic technique is reported. Two cases with and without liquid covering of porous silicon surface were considered. Thermal perturbations were excited at the surface of porous silicon as a result of absorption of the light with modulated intensity. The resulting thermal-elastic stresses arising in the system were registered with piezoelectric transducer. The amplitude-frequency dependencies of the voltage on the piezoelectric electrodes were measured. The presence of the liquid film leads to decreasing of the amplitude of photoacoustic signal as a result of the thermal energy evacuation from the porous silicon into the liquid. The experimental dependencies were fitted with the results of simulation that takes into account heat fluxes separation at the porous silicon/liquid interface. With the presented method one can precisely measure heat fluxes transferred from the solid into contacting fluid. Moreover, the presented approach can be easily adopted for the thermal conductivity study of the different nanofluids as well as thermal resistance at the interface nanostructured solid/fluid.

Experimental Study and Fractal Analysis on the Anisotropic Performance of Explosively Welded Interfaces of 304 Stainless Steel/245 Carbon Steel

NASA Astrophysics Data System (ADS)

Fu, Yanshu; Qiu, Yaohui; Li, Yulong

2018-05-01

The mechanical anisotropy of an explosive welding composite plate made of 304 stainless steel/245 steel was studied through shear experiments performed on explosively welded wavy interfaces along several orientation angles. The results indicated that the strength and the fracture energy of samples significantly varied with the orientation angles. The fracture surfaces of all samples were observed using a scanning electron microscope and through three-dimensional structure microscopy. The periodic features of all the fracture surfaces were clearly shown in different fracture modes. The fractal dimension of the fracture surfaces was calculated based on the fractal geometry by the box-counting method in MATLAB. The cohesive element model was used to analyze the fracture energy according to the physical dependence of the fractal dimension on thermodynamic entropy and interface separation energy. The fracture energy was an exponential function of the fractal dimension value, which was in good agreement with the experimental results. All results were validated for effective use in the application of anisotropy analysis to the welded interface and structural optimization of explosively welded composite plates.

The cohesive law of particle/binder interfaces in solid propellants

NASA Astrophysics Data System (ADS)

Tan, H.

2011-10-01

Solid propellants are treated as composites with high volume fraction of particles embedded in the polymeric binder. A micromechanics model is developed to establish the link between the microscopic behavior of particle/binder interfaces and the macroscopic constitutive information. This model is then used to determine the tension/shearing coupled interface cohesive law of a redesigned solid rocket motor propellant, based on the experimental data of the stress-strain and dilatation-strain curves for the material under slow rate uniaxial tension.

Performance and Reliability of Bonded Interfaces for High-Temperature Packaging (Presentation)

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

Devoto, D.

2014-11-01

The thermal performance and reliability of sintered-silver is being evaluated for power electronics packaging applications. This will be experimentally accomplished by the synthesis of large-area bonded interfaces between metalized substrates that will be subsequently subjected to thermal cycles. A finite element model of crack initiation and propagation in these bonded interfaces will allow for the interpretation of degradation rates by a crack-velocity (V)-stress intensity factor (K) analysis. The experiment is outlined, and the modeling approach is discussed.

Development of signal processing algorithms for ultrasonic detection of coal seam interfaces

NASA Technical Reports Server (NTRS)

Purcell, D. D.; Ben-Bassat, M.

1976-01-01

A pattern recognition system is presented for determining the thickness of coal remaining on the roof and floor of a coal seam. The system was developed to recognize reflected pulse echo signals that are generated by an acoustical transducer and reflected from the coal seam interface. The flexibility of the system, however, should enable it to identify pulse-echo signals generated by radar or other techniques. The main difference being the specific features extracted from the recorded data as a basis for pattern recognition.

Hearing in True 3-D

NASA Technical Reports Server (NTRS)

2004-01-01

In 1984, researchers from Ames Research Center came together to develop advanced human interfaces for NASA s teleoperations that would come to be known as "virtual reality." The basis of the work theorized that if the sensory interfaces met a certain threshold and sufficiently supported each other, then the operator would feel present in the remote/synthetic environment, rather than present in their physical location. Twenty years later, this prolific research continues to pay dividends to society in the form of cutting-edge virtual reality products, such as an interactive audio simulation system.

A web interface for easy flexible protein-protein docking with ATTRACT.

PubMed

de Vries, Sjoerd J; Schindler, Christina E M; Chauvot de Beauchêne, Isaure; Zacharias, Martin

2015-02-03

Protein-protein docking programs can give valuable insights into the structure of protein complexes in the absence of an experimental complex structure. Web interfaces can facilitate the use of docking programs by structural biologists. Here, we present an easy web interface for protein-protein docking with the ATTRACT program. While aimed at nonexpert users, the web interface still covers a considerable range of docking applications. The web interface supports systematic rigid-body protein docking with the ATTRACT coarse-grained force field, as well as various kinds of protein flexibility. The execution of a docking protocol takes up to a few hours on a standard desktop computer. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Active oil-water interfaces: buckling and deformation of oil drops by bacteria

NASA Astrophysics Data System (ADS)

Juarez, Gabriel; Stocker, Roman

2014-11-01

Bacteria are unicellular organisms that seek nutrients and energy for growth, division, and self-propulsion. Bacteria are also natural colloidal particles that attach and self-assemble at liquid-liquid interfaces. Here, we present experimental results on active oil-water interfaces that spontaneously form when bacteria accumulate or grow on the interface. Using phase-contrast and fluorescence microscopy, we simultaneously observed the dynamics of adsorbed Alcanivorax bacteria and the oil-water interface within microfluidic devices. We find that, by growing and dividing, adsorbed bacteria form a jammed monolayer of cells that encapsulates the entire oil drop. As bacteria continue to grow at the interface, the drop buckles and the interface undergoes strong deformations. The bacteria act to stabilize non-equilibrium shapes of the oil-phase such wrinkling and tubulation. In addition to presenting a natural example of a living interface, these findings shape our understanding of microbial degradation of oil and may have important repercussions on engineering interventions for oil bioremediation.

Electron confinement at diffuse ZnMgO/ZnO interfaces

NASA Astrophysics Data System (ADS)

Coke, Maddison L.; Kennedy, Oscar W.; Sagar, James T.; Warburton, Paul A.

2017-01-01

Abrupt interfaces between ZnMgO and ZnO are strained due to lattice mismatch. This strain is relaxed if there is a gradual incorporation of Mg during growth, resulting in a diffuse interface. This strain relaxation is however accompanied by reduced confinement and enhanced Mg-ion scattering of the confined electrons at the interface. Here we experimentally study the electronic transport properties of the diffuse heteroepitaxial interface between single-crystal ZnO and ZnMgO films grown by molecular-beam epitaxy. The spatial extent of the interface region is controlled during growth by varying the zinc flux. We show that, as the spatial extent of the graded interface is reduced, the enhancement of electron mobility due to electron confinement more than compensates for any suppression of mobility due to increased strain. Furthermore, we determine the extent to which scattering of impurities in the ZnO substrate limits the electron mobility in diffuse ZnMgO-ZnO interfaces.

Gas-liquid interface of room-temperature ionic liquids.

PubMed

Santos, Cherry S; Baldelli, Steven

2010-06-01

The organization of ions at the interface of ionic liquids and the vacuum is an ideal system to test new ideas and concepts on the interfacial chemistry of electrolyte systems in the limit of no solvent medium. Whilst electrolyte systems have numerous theoretical and experimental methods used to investigate their properties, the ionic liquids are relatively new and our understanding of the interfacial properties is just beginning to be explored. In this critical review, the gas-liquid interface is reviewed, as this interface does not depend on the preparation of another medium and thus produces a natural interface. The interface has been investigated by sum frequency generation vibrational spectroscopy and ultra-high vacuum techniques. The results provide a detailed molecular-level view of the surface composition and structure. These have been complemented by theoretical studies. The combinations of treatments on this interface are starting to provide a somewhat convergent description of how the ions are organized at this neat interface (108 references).

[A study on the bond interface between low-fusing dental porcelain and pure titanium].

PubMed

Mo, A; Cen, Y; Liao, Y; Wang, J; Shi, X

2001-09-01

To evaluate the bond interface between low fusing dental porcelain and pure titanium by observing the topography and detecting the ionic diffusion in the interface area. The low fusing-porcelain La-porcelain produced by the authors or Vita Titankeramik porcelain was fused to the surfaces of pure titanium. The topography of the interface between pure titanium and porcelain, and the structure of experimental materials were observed with SEM. The state of ionic diffusion in the interface area was investigated with EPMA. Excellent permeation and diffusion of La-porcelain were observed on the surfaces of pure titanium. The diffusion of ions of stannum and silicon was discovered in the interface area. The microstructure of La-porcelain to pure titanium bond interface was finer than that of Vita Titankeramik porcelain. Excellent bond can be produced in the interface between La-porcelain and pure titanium. The bonding mechanism may involve mechanical bond and chemical bond. The ionic diffusion of stannum plays an important role in the bonding of porcelain to pure titanium.

On the Ionization and Ion Transmission Efficiencies of Different ESI-MS Interfaces

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

Cox, Jonathan T.; Marginean, Ioan; Smith, Richard D.

2014-09-30

It is well known that the achievable sensitivity of electrospray ionization mass spectrometry (ESI-MS) is largely determined by the ionization efficiency in the ESI source and ion transmission efficiency through the ESI-MS interface. In this report we systematically study the ion transmission and ionization efficiencies in different ESI-MS interface configurations. The configurations under investigation include a single emitter/single inlet capillary, single emitter/multi-inlet capillary, and a subambient pressure ionization with nanoelectrospray (SPIN) MS interfaces with a single emitter and an emitter array, respectively. We present an effective method to evaluate the overall ion utilization efficiency of an ESI-MS interface by measuringmore » the total gas phase ion current transmitted through the interface and correlating it to the observed ion abundance measured in the corresponding mass spectrum. Our experimental results suggest that the overall ion utilization efficiency in the SPIN-MS interface configurations is better than that in the inlet capillary based ESI-MS interface configurations.« less

MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectories

PubMed Central

2014-01-01

Background Molecular Dynamics (MD) simulations of protein complexes suffer from the lack of specific tools in the analysis step. Analyses of MD trajectories of protein complexes indeed generally rely on classical measures, such as the RMSD, RMSF and gyration radius, conceived and developed for single macromolecules. As a matter of fact, instead, researchers engaged in simulating the dynamics of a protein complex are mainly interested in characterizing the conservation/variation of its biological interface. Results On these bases, herein we propose a novel approach to the analysis of MD trajectories or other conformational ensembles of protein complexes, MDcons, which uses the conservation of inter-residue contacts at the interface as a measure of the similarity between different snapshots. A "consensus contact map" is also provided, where the conservation of the different contacts is drawn in a grey scale. Finally, the interface area of the complex is monitored during the simulations. To show its utility, we used this novel approach to study two protein-protein complexes with interfaces of comparable size and both dominated by hydrophilic interactions, but having binding affinities at the extremes of the experimental range. MDcons is demonstrated to be extremely useful to analyse the MD trajectories of the investigated complexes, adding important insight into the dynamic behavior of their biological interface. Conclusions MDcons specifically allows the user to highlight and characterize the dynamics of the interface in protein complexes and can thus be used as a complementary tool for the analysis of MD simulations of both experimental and predicted structures of protein complexes. PMID:25077693

MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectories.

PubMed

Abdel-Azeim, Safwat; Chermak, Edrisse; Vangone, Anna; Oliva, Romina; Cavallo, Luigi

2014-01-01

Molecular Dynamics (MD) simulations of protein complexes suffer from the lack of specific tools in the analysis step. Analyses of MD trajectories of protein complexes indeed generally rely on classical measures, such as the RMSD, RMSF and gyration radius, conceived and developed for single macromolecules. As a matter of fact, instead, researchers engaged in simulating the dynamics of a protein complex are mainly interested in characterizing the conservation/variation of its biological interface. On these bases, herein we propose a novel approach to the analysis of MD trajectories or other conformational ensembles of protein complexes, MDcons, which uses the conservation of inter-residue contacts at the interface as a measure of the similarity between different snapshots. A "consensus contact map" is also provided, where the conservation of the different contacts is drawn in a grey scale. Finally, the interface area of the complex is monitored during the simulations. To show its utility, we used this novel approach to study two protein-protein complexes with interfaces of comparable size and both dominated by hydrophilic interactions, but having binding affinities at the extremes of the experimental range. MDcons is demonstrated to be extremely useful to analyse the MD trajectories of the investigated complexes, adding important insight into the dynamic behavior of their biological interface. MDcons specifically allows the user to highlight and characterize the dynamics of the interface in protein complexes and can thus be used as a complementary tool for the analysis of MD simulations of both experimental and predicted structures of protein complexes.

Basic concepts and development of an all-purpose computer interface for ROC/FROC observer study.

PubMed

Shiraishi, Junji; Fukuoka, Daisuke; Hara, Takeshi; Abe, Hiroyuki

2013-01-01

In this study, we initially investigated various aspects of requirements for a computer interface employed in receiver operating characteristic (ROC) and free-response ROC (FROC) observer studies which involve digital images and ratings obtained by observers (radiologists). Secondly, by taking into account these aspects, an all-purpose computer interface utilized for these observer performance studies was developed. Basically, the observer studies can be classified into three paradigms, such as one rating for one case without an identification of a signal location, one rating for one case with an identification of a signal location, and multiple ratings for one case with identification of signal locations. For these paradigms, display modes on the computer interface can be used for single/multiple views of a static image, continuous viewing with cascade images (i.e., CT, MRI), and dynamic viewing of movies (i.e., DSA, ultrasound). Various functions on these display modes, which include windowing (contrast/level), magnifications, and annotations, are needed to be selected by an experimenter corresponding to the purpose of the research. In addition, the rules of judgment for distinguishing between true positives and false positives are an important factor for estimating diagnostic accuracy in an observer study. We developed a computer interface which runs on a Windows operating system by taking into account all aspects required for various observer studies. This computer interface requires experimenters to have sufficient knowledge about ROC/FROC observer studies, but allows its use for any purpose of the observer studies. This computer interface will be distributed publicly in the near future.

Using Molecular Dynamics to quantify the electrical double layer and examine the potential for its direct observation in the in-situ TEM

DOE PAGES

Welch, David A.; Mehdi, Beata L.; Hatchell, Hanna J.; ...

2015-03-25

Understanding the fundamental processes taking place at the electrode-electrolyte interface in batteries will play a key role in the development of next generation energy storage technologies. One of the most fundamental aspects of the electrode-electrolyte interface is the electrical double layer (EDL). Given the recent development of high spatial resolution in-situ electrochemical cells for scanning transmission electron microscopy (STEM), there now exists the possibility that we can directly observe the formation and dynamics of the EDL. In this paper we predict electrolyte structure within the EDL using classical models and atomistic Molecular Dynamics (MD) simulations. The MD simulations show thatmore » the classical models fail to accurately reproduce concentration profiles that exist within the electrolyte. It is thus suggested that MD must be used in order to accurately predict STEM images of the electrode-electrolyte interface. Using MD and image simulations together for a high contrast electrolyte (the high atomic number CsCl electrolyte), it is determined that, for a smooth interface, concentration profiles within the EDL should be visible experimentally. When normal experimental parameters such as rough interfaces and low-Z electrolytes (like those used in Li-ion batteries) are considered, observation of the EDL appears to be more difficult.« less

A Computational Study of the Rheology and Structure of Surfactant Covered Droplets

NASA Astrophysics Data System (ADS)

Maia, Joao; Boromand, Arman

Using different types of surface-active agents are ubiquitous in different industrial applications ranging from cosmetic and food industries to polymeric nano-composite and blends. This allows to produce stable multiphasic systems like foams and emulsions whose stability and shelf-life are directly determined by the efficiency and the type of the surfactant molecules. Moreover, presence and self-assembly of these species on an interface will display complex dynamics and structural evolution under different processing conditions. Analogous to bulk rheology of complex systems, surfactant covered interfaces will response to an external mechanical forces or deformation differently depends on the molecular configuration and topology of the system constituents. Although the effect of molecular configuration of the surface-active molecules on the planar interfaces has been studied both experimentally and computationally, it remains challenging from both experimental and computational aspects to track efficiency and effectiveness of different surfactant molecules with different molecular geometries on curved interfaces. Using Dissipative Particle Dynamics, we have studies effectiveness and efficiency of different surfactant molecules on a curved interface in equilibrium and far from equilibrium. Interfacial tension is calculated for linear and branched surfactant with different hydrophobic and hydrophilic tail and head groups with different branching densities. Deformation parameter and Taylor plots are obtained for individual surfactant molecules under shear flow.

Reaction Mechanism for Direct Propylene Epoxidation by Alumina-Supported Silver Aggregates. The Role of the Particle / Support Interface

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

Cheng, Lei; Yin, Chunrong; Mehmood, Faisal

2013-11-21

Sub-nanometer Ag aggregates on alumina supports have been found to be active toward direct propylene epoxidation to propylene oxide by molecular oxygen at low temperatures, with a negligible amount of carbon dioxide formation (Science 328, p. 224, 2010). In this work, we computationally and experimentally investigate the origin of the high reactivity of the sub-nanometer Ag aggregates. Computationally, we study O 2 dissociation and propylene epoxidation on unsupported Ag 19 and Ag 20 clusters, as well as alumina-supported Ag 19. The O 2 dissociation and propylene epoxidation apparent barriers at the interface between the Ag aggregate and the alumina supportmore » are calculated to be 0.2 and 0.2~0.4 eV, respectively. These barriers are somewhat lower than those on sites away from the interface. The mechanism at the interface is similar to what was previously found for the silver trimer on alumina and can account for the high activity observed for the direct oxidation of propylene on the Ag aggregates. The barriers for oxygen dissociation on these model systems both at the interface and on the surfaces are small compared to crystalline surfaces, indicating that availability of oxygen will not be a rate limiting step for the aggregates, as in the case of the crystalline surfaces. Experimentally, we investigate Ultrananocrystalline Diamond (UNCD)-supported silver aggregates under reactive conditions of propylene partial oxidation. The UNCD-supported Ag clusters are found to be not measurably active toward propylene oxidation, in contrast to the alumina supported Ag clusters. This suggests that the lack of metal-oxide interfacial sites of the Ag-UNCD catalyst, limits the epoxidation catalytic activity. This combined computational and experimental study shows the importance of the metal-oxide interface as well as the non-crystalline nature of the alumina-supported sub-nanometer Ag aggregate catalysts for propylene epoxidation.« less

Light tunneling effect tuned by a meta-interface with electromagnetically-induced-transparency-like properties

NASA Astrophysics Data System (ADS)

Feng, Tuanhui; Yang, Fei; Li, Yunhui; Sun, Yong; Lu, Hai; Jiang, Haitao; Zhang, Yewen; Chen, Hong

2013-06-01

In this letter, light tunneling effect tuned by a meta-interface with electromagnetically-induced-transparency-like (EIT-like) properties is investigated. Both numerical and experimental results show that the Q-factor of tunneling mode can be well enhanced when an atomic-like three-level system with EIT-like properties is introduced at the interface of a pair structure constructed by epsilon-negative and mu-negative metamaterials. Further study reveals that the Q-factor can be tuned conveniently by altering the EIT-like meta-interface. Moreover, these advantages are not at costs of increase of volume and drastic reduction of transmittance.

Numerical modeling of laboratory-scale surface-to-crown fire transition

NASA Astrophysics Data System (ADS)

Castle, Drew Clayton

Understanding the conditions leading to the transition of fire spread from a surface fuel to an elevated (crown) fuel is critical to effective fire risk assessment and management. Surface fires that successfully transition to crown fires can be very difficult to suppress, potentially leading to damages in the natural and built environments. This is relevant to chaparral shrub lands which are common throughout parts of the Southwest U.S. and represent a significant part of the wildland urban interface. The ability of the Wildland-Urban Interface Fire Dynamic Simulator (WFDS) to model surface-to-crown fire transition was evaluated through comparison to laboratory experiments. The WFDS model is being developed by the U.S. Forest Service (USFS) and the National Institute of Standards and Technology. The experiments were conducted at the USFS Forest Fire Laboratory in Riverside, California. The experiments measured the ignition of chamise (Adenostoma fasciculatum) crown fuel held above a surface fire spreading through excelsior fuel. Cases with different crown fuel bulk densities, crown fuel base heights, and imposed wind speeds were considered. Cold-flow simulations yielded wind speed profiles that closely matched the experimental measurements. Next, fire simulations with only the surface fuel were conducted to verify the rate of spread while factors such as substrate properties were varied. Finally, simulations with both a surface fuel and a crown fuel were completed. Examination of specific surface fire characteristics (rate of spread, flame angle, etc.) and the corresponding experimental surface fire behavior provided a basis for comparison of the factors most responsible for transition from a surface fire to the raised fuel ignition. The rate of spread was determined by tracking the flame in the Smokeview animations using a tool developed for tracking an actual flame in a video. WFDS simulations produced results in both surface fire spread and raised fuel bed ignition which closely matched the trends reported in the laboratory experiments.

Effect of bandage thickness on interface pressure applied by compression bandages.

PubMed

Al Khaburi, Jawad; Dehghani-Sanij, Abbas A; Nelson, E Andrea; Hutchinson, Jerry

2012-04-01

Medical compression bandages are widely used in the treatment of chronic venous disorder. In order to design effective compression bandages, researchers have attempted to describe the interface pressure applied by these bandages using mathematical models. This paper reports on the work carried out to derive the mathematical model used to describe the interface pressure applied by single-layer bandage using two different approaches. The first assumes that the bandage thickness is negligible, whereas the second model includes the bandage thickness. The estimated pressures using the two formulae are then compared, simulated over a 3D representation of a real leg and validated experimentally. Both theoretical and experimental results have shown that taking bandage thickness into consideration while estimating the pressures applied by a medical compression bandage will result in more accurate estimation. However, the additional accuracy is clinically insignificant. Copyright © 2011 IPEM. Published by Elsevier Ltd. All rights reserved.

Thermoplastic matrix composite processing model

NASA Technical Reports Server (NTRS)

Dara, P. H.; Loos, A. C.

1985-01-01

The effects the processing parameters pressure, temperature, and time have on the quality of continuous graphite fiber reinforced thermoplastic matrix composites were quantitatively accessed by defining the extent to which intimate contact and bond formation has occurred at successive ply interfaces. Two models are presented predicting the extents to which the ply interfaces have achieved intimate contact and cohesive strength. The models are based on experimental observation of compression molded laminates and neat resin conditions, respectively. Identified as the mechanism explaining the phenomenon by which the plies bond to themselves is the theory of autohesion (or self diffusion). Theoretical predictions from the Reptation Theory between autohesive strength and contact time are used to explain the effects of the processing parameters on the observed experimental strengths. The application of a time-temperature relationship for autohesive strength predictions is evaluated. A viscoelastic compression molding model of a tow was developed to explain the phenomenon by which the prepreg ply interfaces develop intimate contact.

New method for measuring the laser-induced damage threshold of optical thin film

NASA Astrophysics Data System (ADS)

Su, Jun-hong; Wang, Hong; Xi, Ying-xue

2012-10-01

The laser-induced damage threshold (LIDT) of thin film means that the thin film can withstand a maximum intensity of laser radiation. The film will be damaged when the irradiation under high laser intensity is greater than the value of LIDT. In this paper, an experimental platform with measurement operator interfaces and control procedures in the VB circumstance is built according to ISO11254-1. In order to obtain more accurate results than that with manual measurement, in the software system, a hardware device can be controlled by control widget on the operator interfaces. According to the sample characteristic, critical parameters of the LIDT measurement system such as spot diameter, damage threshold region, and critical damage pixel number are set up on the man-machine conversation interface, which could realize intelligent measurements of the LIDT. According to experimental data, the LIDT is obtained by fitting damage curve automatically.

Modulating surface rheology by electrostatic protein/polysaccharide interactions.

PubMed

Ganzevles, Renate A; Zinoviadou, Kyriaki; van Vliet, Ton; Cohen, Martien A; de Jongh, Harmen H

2006-11-21

There is a large interest in mixed protein/polysaccharide layers at air-water and oil-water interfaces because of their ability to stabilize foams and emulsions. Mixed protein/polysaccharide adsorbed layers at air-water interfaces can be prepared either by adsorption of soluble protein/polysaccharide complexes or by sequential adsorption of complexes or polysaccharides to a previously formed protein layer. Even though the final protein and polysaccharide bulk concentrations are the same, the behavior of the adsorbed layers can be very different, depending on the method of preparation. The surface shear modulus of a sequentially formed beta-lactoglobulin/pectin layer can be up to a factor of 6 higher than that of a layer made by simultaneous adsorption. Furthermore, the surface dilatational modulus and surface shear modulus strongly (up to factors of 2 and 7, respectively) depend on the bulk -lactoglobulin/pectin mixing ratio. On the basis of the surface rheological behavior, a mechanistic understanding of how the structure of the adsorbed layers depends on the protein/polysaccharide interaction in bulk solution, mixing ratio, ionic strength, and order of adsorption to the interface (simultaneous or sequential) is derived. Insight into the effect of protein/polysaccharide interactions on the properties of adsorbed layers provides a solid basis to modulate surface rheological behavior.

High-performance parallel interface to synchronous optical network gateway

DOEpatents

St. John, Wallace B.; DuBois, David H.

1996-01-01

A system of sending and receiving gateways interconnects high speed data interfaces, e.g., HIPPI interfaces, through fiber optic links, e.g., a SONET network. An electronic stripe distributor distributes bytes of data from a first interface at the sending gateway onto parallel fiber optics of the fiber optic link to form transmitted data. An electronic stripe collector receives the transmitted data on the parallel fiber optics and reforms the data into a format effective for input to a second interface at the receiving gateway. Preferably, an error correcting syndrome is constructed at the sending gateway and sent with a data frame so that transmission errors can be detected and corrected in a real-time basis. Since the high speed data interface operates faster than any of the fiber optic links the transmission rate must be adapted to match the available number of fiber optic links so the sending and receiving gateways monitor the availability of fiber links and adjust the data throughput accordingly. In another aspect, the receiving gateway must have sufficient available buffer capacity to accept an incoming data frame. A credit-based flow control system provides for continuously updating the sending gateway on the available buffer capacity at the receiving gateway.

Coupled Growth in Hypermonotectics

NASA Technical Reports Server (NTRS)

Andrews, J. Barry; Coriell, Sam R.

2001-01-01

The overall objective of this project is to obtain a fundamental understanding of the physics controlling solidification processes in immiscible alloy systems. The investigation involves both experimentation and the development of a model describing solidification in monotectic systems. The experimental segment was designed to first demonstrate that it is possible to obtain interface stability and steady state coupled growth in hypermonotectic alloys through microgravity processing. Microgravity results obtained to date have verified this possibility. Future flights will permit experimental determination of the limits of interface stability and the influence of alloy composition and growth rate on microstructure. The objectives of the modeling segment of the investigation include prediction of the limits of interface stability, modeling of convective flow due to residual acceleration, and the influence of surface tension driven flows at the solidification interface. The study of solidification processes in immiscible alloy systems is hindered by the inherent convective flow that occurs on Earth and by the possibility of sedimentation of the higher density immiscible liquid phase. It has been shown that processing using a high thermal gradient and a low growth rate can lead to a stable macroscopically planar growth front even in hypermonotectic alloys. Processing under these growth conditions can avoid constitutional supercooling and prevent the formation of the minor immiscible liquid phase in advance of the solidification front. However, the solute depleted boundary layer that forms in advance of the solidification front is almost always less dense than the liquid away from the solidification front. As a result, convective instability is expected. Ground based testing has indicated that convection is a major problem in these alloy systems and leads to gross compositional variations along the sample and difficulties maintaining interface stability. Sustained low gravity processing conditions are necessary in order to minimize these problems and obtain solidification conditions which approach steady state.

Nonlinear optical studies of aqueous interfaces, polymers, and nanowires

NASA Astrophysics Data System (ADS)

Onorato, Robert Michael

Understanding the structure and composition of aqueous interfaces is one of the most important current problems in modern science. Aqueous interfaces are ubiquitous in Nature, ranging from aerosols to cellular structures. Aerosol chemistry is presently the most significant unknown factor in predicting climate change, and an understanding of the chemistry that occurs at aerosol interfaces would significantly improve climate models. Similarly, the nature of aqueous biological interfaces has a profound effect on the structure and function of proteins and other biological structures. Despite the importance of these problems, aqueous interfaces remain incompletely understood due to the challenges of experimentally probing them. Recent experimental and theoretical results have firmly established the existence of enhanced concentrations of selected ions at the air/water interface. In this dissertation, I use an interface-specific technique, UV second harmonic generation (SHG), to further investigate the adsorption of ions to the air/water interface and to extend the study of ion adsorption towards more biologically relevant systems, alcohol/water interfaces. In Chapter 2, I describe resonant UV-SHG studies of the strongly chaotropic thiocyanate ion adsorbed to the interface formed by water and a monolayer of dodecanol, wherein the Gibbs free energy of adsorption was determined to be -6.7 +/- 1.1 and -6.3 +/- 1.8 kJ/mol for sodium and potassium thiocyanate, respectively, coincident with the value determined for thiocyanate at the air/water interface. Interestingly, at concentrations near and above 4 M, the resonant SHG signal increases discontinuously, indicating a structural change in the interfacial region. Recent experimental and theoretical work has demonstrated that the adsorption of bromide is particularly important for chemical reactions on atmospheric aerosols, including the depletion of ozone. In Chapter 3, UV-SHG resonant with the bromide charge-transfer-to-solvent band and a Langmuir adsorption model are used to determine the affinity of bromide for both the air/water and dodecanol/water interfaces in the molar concentration regime. The Gibbs free energy of adsorption for the former is determined to be -1.4 kJ/mol with a lower 90% confidence limit of -4.1 kJ/mol. For the dodecanol/water interface the data are best fit with a Gibbs free energy of +8 kJ/mol with an estimated a lower limit of -4 kJ/mol. Adsorption of ions to the air/water interface in the millimolar regime is a particularly interesting phenomenon. In Chapter 4, the affinity of sodium chloride and sodium bromide to the air/water interface is probed by UV-SHG. Both salts exhibit a strong adsorption, with free energies greater than -20 kJ/mol. Interestingly, sodium chloride exhibits a stronger affinity for the interface than does sodium iodide, which was previously studied by Poul Peterson. This is counter to both experimental and theoretical results for higher concentrations. It has been predicted that ion adsorption is dictated by strong and opposing electrostatic and entropic forces. The change in order of ion interfacial affinity can be explained by relatively small changes in these forces at different concentrations and ionic strengths. In Chapters 5 and 6, other work using nonlinear optical techniques is described. Coherent anti-Stokes Raman scattering microscopy is a promising tool for chemically selective imaging based on molecular vibrations. While CARS is currently used as a biological imaging tool, many variations are still being developed, perhaps the most important being multiplex CARS microscopy. Multiplex CARS has the advantage of comparing images based on different molecular vibrations without changing the excitation wavelengths. In Chapter 5, I demonstrate both high spectral and spatial resolution multiplex CARS imaging of polymer films using a simple scheme for chirped CARS with a spectral bandwidth of 300 cm-1. In Chapter 6, the nonlinear optical properties of KNbO3 nanowires are studied. Using SHG and sum frequency generation, efficient nonlinear optical frequency conversion is demonstrated in single KNbO3 nanowires that act as optical waveguides, yielding a coherent tunable subwavelength light source.

The biological significance of brain barrier mechanisms: help or hindrance in drug delivery to the central nervous system?

PubMed Central

Saunders, Norman R.; Habgood, Mark D.; Møllgård, Kjeld; Dziegielewska, Katarzyna M.

2016-01-01

Barrier mechanisms in the brain are important for its normal functioning and development. Stability of the brain’s internal environment, particularly with respect to its ionic composition, is a prerequisite for the fundamental basis of its function, namely transmission of nerve impulses. In addition, the appropriate and controlled supply of a wide range of nutrients such as glucose, amino acids, monocarboxylates, and vitamins is also essential for normal development and function. These are all cellular functions across the interfaces that separate the brain from the rest of the internal environment of the body. An essential morphological component of all but one of the barriers is the presence of specialized intercellular tight junctions between the cells comprising the interface: endothelial cells in the blood-brain barrier itself, cells of the arachnoid membrane, choroid plexus epithelial cells, and tanycytes (specialized glial cells) in the circumventricular organs. In the ependyma lining the cerebral ventricles in the adult brain, the cells are joined by gap junctions, which are not restrictive for intercellular movement of molecules. But in the developing brain, the forerunners of these cells form the neuroepithelium, which restricts exchange of all but the smallest molecules between cerebrospinal fluid and brain interstitial fluid because of the presence of strap junctions between the cells. The intercellular junctions in all these interfaces are the physical basis for their barrier properties. In the blood-brain barrier proper, this is combined with a paucity of vesicular transport that is a characteristic of other vascular beds. Without such a diffusional restrain, the cellular transport mechanisms in the barrier interfaces would be ineffective. Superimposed on these physical structures are physiological mechanisms as the cells of the interfaces contain various metabolic transporters and efflux pumps, often ATP-binding cassette (ABC) transporters, that provide an important component of the barrier functions by either preventing entry of or expelling numerous molecules including toxins, drugs, and other xenobiotics. In this review, we summarize these influx and efflux mechanisms in normal developing and adult brain, as well as indicating their likely involvement in a wide range of neuropathologies. There have been extensive attempts to overcome the barrier mechanisms that prevent the entry of many drugs of therapeutic potential into the brain. We outline those that have been tried and discuss why they may so far have been largely unsuccessful. Currently, a promising approach appears to be focal, reversible disruption of the blood-brain barrier using focused ultrasound, but more work is required to evaluate the method before it can be tried in patients. Overall, our view is that much more fundamental knowledge of barrier mechanisms and development of new experimental methods will be required before drug targeting to the brain is likely to be a successful endeavor. In addition, such studies, if applied to brain pathologies such as stroke, trauma, or multiple sclerosis, will aid in defining the contribution of brain barrier pathology to these conditions, either causative or secondary. PMID:26998242

Evaporation of freely suspended single droplets: experimental, theoretical and computational simulations

NASA Astrophysics Data System (ADS)

Hołyst, R.; Litniewski, M.; Jakubczyk, D.; Kolwas, K.; Kolwas, M.; Kowalski, K.; Migacz, S.; Palesa, S.; Zientara, M.

2013-03-01

Evaporation is ubiquitous in nature. This process influences the climate, the formation of clouds, transpiration in plants, the survival of arctic organisms, the efficiency of car engines, the structure of dried materials and many other phenomena. Recent experiments discovered two novel mechanisms accompanying evaporation: temperature discontinuity at the liquid-vapour interface during evaporation and equilibration of pressures in the whole system during evaporation. None of these effects has been predicted previously by existing theories despite the fact that after 130 years of investigation the theory of evaporation was believed to be mature. These two effects call for reanalysis of existing experimental data and such is the goal of this review. In this article we analyse the experimental and the computational simulation data on the droplet evaporation of several different systems: water into its own vapour, water into the air, diethylene glycol into nitrogen and argon into its own vapour. We show that the temperature discontinuity at the liquid-vapour interface discovered by Fang and Ward (1999 Phys. Rev. E 59 417-28) is a rule rather than an exception. We show in computer simulations for a single-component system (argon) that this discontinuity is due to the constraint of momentum/pressure equilibrium during evaporation. For high vapour pressure the temperature is continuous across the liquid-vapour interface, while for small vapour pressures the temperature is discontinuous. The temperature jump at the interface is inversely proportional to the vapour density close to the interface. We have also found that all analysed data are described by the following equation: da/dt = P1/(a + P2), where a is the radius of the evaporating droplet, t is time and P1 and P2 are two parameters. P1 = -λΔT/(qeffρL), where λ is the thermal conductivity coefficient in the vapour at the interface, ΔT is the temperature difference between the liquid droplet and the vapour far from the interface, qeff is the enthalpy of evaporation per unit mass and ρL is the liquid density. The P2 parameter is the kinetic correction proportional to the evaporation coefficient. P2 = 0 only in the absence of temperature discontinuity at the interface. We discuss various models and problems in the determination of the evaporation coefficient and discuss evaporation scenarios in the case of single- and multi-component systems.

Bubble bursting as an aerosol generation mechanism during an oil spill in the deep-sea environment: molecular dynamics simulations of oil alkanes and dispersants in atmospheric air/salt water interfaces.

PubMed

Liyana-Arachchi, Thilanga P; Zhang, Zenghui; Ehrenhauser, Franz S; Avij, Paria; Valsaraj, Kalliat T; Hung, Francisco R

2014-01-01

Potential of mean force (PMF) calculations and molecular dynamics (MD) simulations were performed to investigate the properties of oil n-alkanes [i.e., n-pentadecane (C15), n-icosane (C20) and n-triacontane (C30)], as well as several surfactant species [i.e., the standard anionic surfactant sodium dodecyl sulfate (SDS), and three model dispersants similar to the Tween and Span species present in Corexit 9500A] at air/salt water interfaces. This study was motivated by the 2010 Deepwater Horizon (DWH) oil spill, and our simulation results show that, from the thermodynamic point of view, the n-alkanes and the model dispersants have a strong preference to remain at the air/salt water interface, as indicated by the presence of deep free energy minima at these interfaces. The free energy minimum of these n-alkanes becomes deeper as their chain length increases, and as the concentration of surfactant species at the interface increases. The n-alkanes tend to adopt a flat orientation and form aggregates at the bare air/salt water interface. When this interface is coated with surfactants, the n-alkanes tend to adopt more tilted orientations with respect to the vector normal to the interface. These simulation results are consistent with the experimental findings reported in the accompanying paper [Ehrenhauser et al., Environ. Sci.: Processes Impacts 2013, in press, (DOI: 10.1039/c3em00390f)]. The fact that these long-chain n-alkanes show a strong thermodynamic preference to remain at the air/salt water interfaces, especially if these interfaces are coated with surfactants, makes these species very likely to adsorb at the surface of bubbles or droplets and be ejected to the atmosphere by sea surface processes such as whitecaps (breaking waves) and bubble bursting. Finally, the experimental finding that more oil hydrocarbons are ejected when Corexit 9500A is present in the system is consistent with the deeper free energy minima observed for the n-alkanes at the air/salt water interface at increasing concentrations of surfactant species.

Interface Psychology: Touchscreens Change Attribute Importance, Decision Criteria, and Behavior in Online Choice

PubMed Central

Gips, James

2015-01-01

Abstract As the rise of tablets and smartphones move the dominant interface for digital content from mouse or trackpad to direct touchscreen interaction, work is needed to explore the role of interfaces in shaping psychological reactions to online content. This research explores the role of direct-touch interfaces in product search and choice, and isolates the touch element from other form factor changes such as screen size. Results from an experimental study using a travel recommendation Web site show that a direct-touch interface (vs. a more traditional mouse interface) increases the number of alternatives searched, and biases evaluations toward tangible attributes such as décor and furniture over intangible attributes such as WiFi and employee demeanor. Direct-touch interfaces also elevate the importance of internal and subjective satisfaction metrics such as instinct over external and objective metrics such as reviews, which in turn increases anticipated satisfaction metrics. Findings suggest that interfaces can strongly affect how online content is explored, perceived, remembered, and acted on, and further work in interface psychology could be as fruitful as research exploring the content itself. PMID:26348814

Thermal conductance at atomically clean and disordered silicon/aluminum interfaces: A molecular dynamics simulation study

NASA Astrophysics Data System (ADS)

Ih Choi, Woon; Kim, Kwiseon; Narumanchi, Sreekant

2012-09-01

Thermal resistance between layers impedes effective heat dissipation in electronics packaging applications. Thermal conductance for clean and disordered interfaces between silicon (Si) and aluminum (Al) was computed using realistic Si/Al interfaces and classical molecular dynamics with the modified embedded atom method potential. These realistic interfaces, which include atomically clean as well as disordered interfaces, were obtained using density functional theory. At 300 K, the magnitude of interfacial conductance due to phonon-phonon scattering obtained from the classical molecular dynamics simulations was approximately five times higher than the conductance obtained using analytical elastic diffuse mismatch models. Interfacial disorder reduced the thermal conductance due to increased phonon scattering with respect to the atomically clean interface. Also, the interfacial conductance, due to electron-phonon scattering at the interface, was greater than the conductance due to phonon-phonon scattering. This indicates that phonon-phonon scattering is the bottleneck for interfacial transport at the semiconductor/metal interfaces. The molecular dynamics modeling predictions for interfacial thermal conductance for a 5-nm disordered interface between Si/Al were in-line with recent experimental data in the literature.

Interface Psychology: Touchscreens Change Attribute Importance, Decision Criteria, and Behavior in Online Choice.

PubMed

Brasel, S Adam; Gips, James

2015-09-01

As the rise of tablets and smartphones move the dominant interface for digital content from mouse or trackpad to direct touchscreen interaction, work is needed to explore the role of interfaces in shaping psychological reactions to online content. This research explores the role of direct-touch interfaces in product search and choice, and isolates the touch element from other form factor changes such as screen size. Results from an experimental study using a travel recommendation Web site show that a direct-touch interface (vs. a more traditional mouse interface) increases the number of alternatives searched, and biases evaluations toward tangible attributes such as décor and furniture over intangible attributes such as WiFi and employee demeanor. Direct-touch interfaces also elevate the importance of internal and subjective satisfaction metrics such as instinct over external and objective metrics such as reviews, which in turn increases anticipated satisfaction metrics. Findings suggest that interfaces can strongly affect how online content is explored, perceived, remembered, and acted on, and further work in interface psychology could be as fruitful as research exploring the content itself.

Structural basis for the recruitment and activation of the Legionella phospholipase VipD by the host GTPase Rab5

PubMed Central

Lucas, María; Gaspar, Andrew H.; Pallara, Chiara; Rojas, Adriana Lucely; Fernández-Recio, Juan; Machner, Matthias P.; Hierro, Aitor

2014-01-01

A challenge for microbial pathogens is to assure that their translocated effector proteins target only the correct host cell compartment during infection. The Legionella pneumophila effector vacuolar protein sorting inhibitor protein D (VipD) localizes to early endosomal membranes and alters their lipid and protein composition, thereby protecting the pathogen from endosomal fusion. This process requires the phospholipase A1 (PLA1) activity of VipD that is triggered specifically on VipD binding to the host cell GTPase Rab5, a key regulator of endosomes. Here, we present the crystal structure of VipD in complex with constitutively active Rab5 and reveal the molecular mechanism underlying PLA1 activation. An active site-obstructing loop that originates from the C-terminal domain of VipD is repositioned on Rab5 binding, thereby exposing the catalytic pocket within the N-terminal PLA1 domain. Substitution of amino acid residues located within the VipD–Rab5 interface prevented Rab5 binding and PLA1 activation and caused a failure of VipD mutant proteins to target to Rab5-enriched endosomal structures within cells. Experimental and computational analyses confirmed an extended VipD-binding interface on Rab5, explaining why this L. pneumophila effector can compete with cellular ligands for Rab5 binding. Together, our data explain how the catalytic activity of a microbial effector can be precisely linked to its subcellular localization. PMID:25114243

Role of Structural Dynamics at the Receptor G Protein Interface for Signal Transduction.

PubMed

Rose, Alexander S; Zachariae, Ulrich; Grubmüller, Helmut; Hofmann, Klaus Peter; Scheerer, Patrick; Hildebrand, Peter W

2015-01-01

GPCRs catalyze GDP/GTP exchange in the α-subunit of heterotrimeric G proteins (Gαßγ) through displacement of the Gα C-terminal α5 helix, which directly connects the interface of the active receptor (R*) to the nucleotide binding pocket of G. Hydrogen-deuterium exchange mass spectrometry and kinetic analysis of R* catalysed G protein activation have suggested that displacement of α5 starts from an intermediate GDP bound complex (R*•GGDP). To elucidate the structural basis of receptor-catalysed displacement of α5, we modelled the structure of R*•GGDP. A flexible docking protocol yielded an intermediate R*•GGDP complex, with a similar overall arrangement as in the X-ray structure of the nucleotide free complex (R*•Gempty), however with the α5 C-terminus (GαCT) forming different polar contacts with R*. Starting molecular dynamics simulations of GαCT bound to R* in the intermediate position, we observe a screw-like motion, which restores the specific interactions of α5 with R* in R*•Gempty. The observed rotation of α5 by 60° is in line with experimental data. Reformation of hydrogen bonds, water expulsion and formation of hydrophobic interactions are driving forces of the α5 displacement. We conclude that the identified interactions between R* and G protein define a structural framework in which the α5 displacement promotes direct transmission of the signal from R* to the GDP binding pocket.

Research on c-HfO2 (0 0 1)/α -Al2O3 (1 -1 0 2) interface in CTM devices based on first principle theory

NASA Astrophysics Data System (ADS)

Lu, Wenjuan; Dai, Yuehua; Wang, Feifei; Yang, Fei; Ma, Chengzhi; Zhang, Xu; Jiang, Xianwei

2017-12-01

With the growing application of high-k dielectrics, the interface between HfO2 and Al2O3 play a crucial role in CTM devices. To clearly understand the interaction of the HfO-AlO interface at the atomic and electronic scale, the bonding feature, electronic properties and charge localized character of c- HfO2 (0 0 1)/α-Al2O3 (1 -1 0 2) interface has been investigated by first principle calculations. The c- HfO2 (0 0 1)/α-Al2O3 (1 -1 0 2) interface has adhesive energy about -1.754 J/m2, suggesting that this interface can exist stably. Through analysis of Bader charge and charge density difference, the intrinsic interfacial gap states are mainly originated from the OII and OIII types oxygen atoms at the interface, and only OIII type oxygen atoms can localized electrons effectively and are provided with good reliability during P/E cycles, which theoretically validate the experimental results that HfO2/Al2O3 multi-layered charge trapping layer can generate more effective traps in memory device. Furthermore, the influence of interfacial gap states during P/E cycles in the defective interface system have also been studied, and the results imply that defective system displays the degradation on the reliability during P/E cycles, while, the charge localized ability of interfacial states is stronger than intrinsic oxygen vacancy in the trapping layer. Besides, these charge localized characters are further explained by the analysis of the density of states correspondingly. In sum, our results compare well with similar experimental observations in other literatures, and the study of the interfacial gap states in this work would facilitate further development of interface passivation.

Adsorption parameters and phase behaviour of non-ionic surfactants at liquid interfaces.

PubMed

Slavchov, Radomir Iliev; Ivanov, Ivan Boyanov

2017-11-29

A reasonable adsorption model is one that allows all adsorption parameters (adsorption constant, hard-disc area α, attraction parameter β) of a surfactant at a liquid interface to be predicted accurately as a function of the molecular structure and medium conditions. However, the established adsorption models of van der Waals and Frumkin lead to inconsistencies, such as negative β at water|oil, α significantly larger than the crystallographic area of the molecule, and phase behaviour that contradicts the experimental observations. Several less popular models that are better suited for liquid interfaces are investigated. It is shown that the sticky disc model agrees with the observed adsorption behaviour of several homologous series of surfactants, both at water|air and water|oil interfaces. The area α is independent of the interface and agrees within 6% to what follows from collapse and crystallographic data. A model of the lateral attraction is proposed, from which it follows that β has a strongly non-linear dependence on the hydrocarbon chain length, the area of the head group and the temperature. Using the model of β, experimental data, and the law of corresponding states, the critical point of the adsorbed layer could be determined. Depending on the value of β, the adsorption behaviour of the surfactants at liquid interfaces can be classified into distinct categories: cohesive or non-cohesive, based on their Boyle points (where β = 2), and sub-critical or super-critical, based on their critical points (where β = 38.1).

Experimental and analytical tools for evaluation of Stirling engine rod seal behavior

NASA Technical Reports Server (NTRS)

Krauter, A. I.; Cheng, H. S.

1979-01-01

The first year of a two year experimental and analytical program is reported. The program is directed at the elastohydrodynamic behavior of sliding elastomeric rod seals for the Stirling engine. During the year, experimental and analytical tools were developed for evaluating seal leakage, seal friction, and the fluid film thickness at the seal/cylinder interface.

Influence of antifreeze proteins on the ice/water interface.

PubMed

Todde, Guido; Hovmöller, Sven; Laaksonen, Aatto

2015-02-26

Antifreeze proteins (AFP) are responsible for the survival of several species, ranging from bacteria to fish, that encounter subzero temperatures in their living environment. AFPs have been divided into two main families, moderately and hyperactive, depending on their thermal hysteresis activity. We have studied one protein from both families, the AFP from the snow flea (sfAFP) and from the winter flounder (wfAFP), which belong to the hyperactive and moderately active family, respectively. On the basis of molecular dynamics simulations, we have estimated the thickness of the water/ice interface for systems both with and without the AFPs attached onto the ice surface. The calculation of the diffusion profiles along the simulation box allowed us to measure the interface width for different ice planes. The obtained widths clearly show a different influence of the two AFPs on the ice/water interface. The different impact of the AFPs here studied on the interface thickness can be related to two AFPs properties: the protein hydrophobic surface and the number of hydrogen bonds that the two AFPs faces form with water molecules.

Superconductive Microwave Single-Flux-Quantum Digital Circuits and Corresponding Opto-Electronic Interfaces: On-Going Studies and First Experimental Results

DTIC Science & Technology

2005-07-13

UHLMANN University of Technology Ilmenau– PO Box 105565 – D-98684 Ilmenau - Germany RESUME : Les circuits numériques supraconducteurs micro-ondes...circuits RSFQ. Ce banc de mesure comporte deux types d’interfaces opto-RSFQ, basées sur des matériaux semiconducteurs et supraconducteurs , respectivement

A Galerkin formulation of the MIB method for three dimensional elliptic interface problems

PubMed Central

Xia, Kelin; Wei, Guo-Wei

2014-01-01

We develop a three dimensional (3D) Galerkin formulation of the matched interface and boundary (MIB) method for solving elliptic partial differential equations (PDEs) with discontinuous coefficients, i.e., the elliptic interface problem. The present approach builds up two sets of elements respectively on two extended subdomains which both include the interface. As a result, two sets of elements overlap each other near the interface. Fictitious solutions are defined on the overlapping part of the elements, so that the differentiation operations of the original PDEs can be discretized as if there was no interface. The extra coefficients of polynomial basis functions, which furnish the overlapping elements and solve the fictitious solutions, are determined by interface jump conditions. Consequently, the interface jump conditions are rigorously enforced on the interface. The present method utilizes Cartesian meshes to avoid the mesh generation in conventional finite element methods (FEMs). We implement the proposed MIB Galerkin method with three different elements, namely, rectangular prism element, five-tetrahedron element and six-tetrahedron element, which tile the Cartesian mesh without introducing any new node. The accuracy, stability and robustness of the proposed 3D MIB Galerkin are extensively validated over three types of elliptic interface problems. In the first type, interfaces are analytically defined by level set functions. These interfaces are relatively simple but admit geometric singularities. In the second type, interfaces are defined by protein surfaces, which are truly arbitrarily complex. The last type of interfaces originates from multiprotein complexes, such as molecular motors. Near second order accuracy has been confirmed for all of these problems. To our knowledge, it is the first time for an FEM to show a near second order convergence in solving the Poisson equation with realistic protein surfaces. Additionally, the present work offers the first known near second order accurate method for C1 continuous or H2 continuous solutions associated with a Lipschitz continuous interface in a 3D setting. PMID:25309038

The role of charge transfer in the energy level alignment at the pentacene/C60 interface.

PubMed

Beltrán, J; Flores, F; Ortega, J

2014-03-07

Understanding the mechanism of energy level alignment at organic-organic interfaces is a crucial line of research to optimize applications in organic electronics. We address this problem for the C60-pentacene interface by performing local-orbital Density Functional Theory (DFT) calculations, including the effect of the charging energies on the energy gap of both organic materials. The results are analyzed within the induced density of interface states (IDIS) model. We find that the induced interface potential is in the range of 0.06-0.10 eV, in good agreement with the experimental evidence, and that such potential is mainly induced by the small, but non-negligible, charge transfer between the two compounds and the multipolar contribution associated with pentacene. We also suggest that an appropriate external intercompound potential could create an insulator-metal transition at the interface.

Interface Shape and Growth Rate Analysis of Se/GaAs Bulk Crystals Grown in the NASA Crystal Growth Furnace (CGF)

NASA Technical Reports Server (NTRS)

Bly, J. M.; Kaforey, M. L.; Matthiesen, D. H.; Chait, A.

1997-01-01

Selenium-doped gallium arsenide, Se/GaAs, bulk crystals have been grown on earth using NASA's crystal growth furnace (CGF) in preparation for microgravity experimentation on the USML-2 spacelab mission. Peltier cooling pulses of 50 ms duration, 2040 A magnitude, and 0.0033 Hz frequency were used to successfully demark the melt-solid interface at known times during the crystal growth process. Post-growth characterization included interface shape measurement, growth rate calculation, and growth rate transient determinations. It was found that the interface shapes were always slightly concave into the solid. The curvature of the seeding interfaces was typically 1.5 mm for the 15 mm diameter samples. This was in agreement with the predicted interface shapes and positions relative to the furnace determined using a numerical model of the sample/ampoule/cartridge assembly (SACA).

Experimental determination and numerical modelling of solid liquid interface shapes for vertical Bridgman grown GaSb crystals

NASA Astrophysics Data System (ADS)

Boiton, P.; Giacometti, N.; Santailler, J. L.; Duffar, T.; Nabot, J. P.

1998-11-01

A facility, based on a profiled resistive heater, has been designed for the growth of antimonide crystals (GaSb, InSb) by the vertical Bridgman method. Solid-liquid interface shapes during the growth of 2-in diameter crystals are marked by means of variations of the pulling rate and are revealed by chemical etching. The comparison with the calculated interface shapes, obtained using a finite element method, gives a satisfactory agreement. It is shown that the heat transfer and consequently the interface shapes are greatly influenced by the crucible assembly. For example, small spacings around the crucible or slots in the crucible holder can change the interface curvature from convex to concave. From numerical simulations it is also shown that convection in the melt flattens the interface but that an increase of the pulling rate has the reverse effect.

Supporting openEHR Java desktop application developers.

PubMed

Kashfi, Hajar; Torgersson, Olof

2011-01-01

The openEHR community suggests that an appropriate approach for creating a graphical user interface for an openEHR-based application is to generate forms from the underlying archetypes and templates. However, current generation techniques are not mature enough to be able to produce high quality interfaces with good usability. Therefore, developing efficient ways to combine manually designed and developed interfaces to openEHR backends is an interesting alternative. In this study, a framework for binding a pre-designed graphical user interface to an openEHR-based backend is proposed. The proposed framework contributes to the set of options available for developers. In particular we believe that the approach of combining user interface components with an openEHR backend in the proposed way might be useful in situations where the quality of the user interface is essential and for creating small scale and experimental systems.

Field effects in graphene in an interface contact with aqueous solutions of acetic acid and potassium hydroxide

NASA Astrophysics Data System (ADS)

Butko, A. V.; Butko, V. Yu.; Lebedev, S. P.; Lebedev, A. A.; Kumzerov, Yu. A.

2017-10-01

For the creation of new promising chemical sensors, it is very important to study the influence of the interface between graphene and aqueous solutions of acids and alkalis on the transistor characteristics of graphene. Transistor structures on the basis of graphene grown by thermal decomposition of silicon carbide were created and studied. For the interface of graphene with aqueous solutions of acetic acid and potassium hydroxide in the transistor geometry, with a variation in the gate-to-source voltage, the field effect corresponding to the hole type of charge carriers in graphene was observed. It is established that an increase in the concentration of molecular ions in these solutions leads to an increase in the dependence of the resistance of the transistor on the gate voltage.

Snap-in of particles at curved liquid interfaces

NASA Astrophysics Data System (ADS)

Li, Chao; Moradiafrapoli, Momene; Marston, Jeremy

2016-11-01

The contact of particles with liquid interfaces constitutes the first stage in the formation of a particle-laden interface, the so-called "snap-in effect". Here, we report on an experimental study using high-speed video to directly visualize the snap-in process and the approach to the equilibrium state of a particle at a curved liquid interface (i.e. droplet surface). We image the evolution of the contact line, which is found to follow a power-law scaling in time, and the dynamic contact angle during the snap-in. Both hydrophilic and hydrophobic particles are explored and we match the lift-off stage of the particles with a simple force balance. We also explore some multi-particle experiments, eluding to the dynamics of particle-laden interface formation.

Water permeation and electrical properties of pottants, backings, and pottant/backing composites

NASA Technical Reports Server (NTRS)

Orehotsky, J.

1986-01-01

It is reported that the interface between plastic film back covers and ethylene vinyl acetates (EVA) or polyvinyl butyral (PVB) in photovoltaic modules can influence water permeation, and electrial properties of the composites such as leakage current and dielectric constant. The interface can either be one of two dissimilar materials in physical contact with no intermixing, or the interface can constitute a thin zone which is an interphase of the two materials having a gradient composition from one material to the other. The former condition is described as a discrete interface. A discrete interface model was developed to predict water permeation, dielectric strength, and leakage current for EVA, ethylene methyl acrylate (EMA), and PVB coupled to Tedlar and mylar films. Experimental data was compared with predicted data.

Interface control of bulk ferroelectric polarization

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

Yu, P; Luo, Weidong; Yi, D.

2012-01-01

The control of material interfaces at the atomic level has led to no- vel interfacial properties and functionalities. In particular, the study of polar discontinuities at interfaces between complex oxides lies at the frontier of modern condensed matter research. Here we em- ploy a combination of experimental measurements and theoretical calculations to demonstrate the control of a bulk property, namely ferroelectric polarization, of a heteroepitaxial bilayer by precise atomic-scale interface engineering. More specifically, the control is achieved by exploiting the interfacial valence mismatch to influence the electrostatic potential step across the interface, which manifests itself as the biased-voltage in ferroelectricmore » hysteresis loops and determines the ferroelectric state. A broad study of diverse systems comprising different ferroelectrics and conducting perovskite un- derlayers extends the generality of this phenomenon.« less

Anomalously deep polarization in SrTiO3 (001) interfaced with an epitaxial ultrathin manganite film

DOE PAGES

Wang, Zhen; Tao, Jing; Yu, Liping; ...

2016-10-17

Using atomically-resolved imaging and spectroscopy, we reveal a remarkably deep polarization in non-ferroelectric SrTiO 3 near its interface with an ultrathin nonmetallic film of La 2/3Sr 1/3MnO 3. Electron holography shows an electric field near the interface in SrTiO 3, yielding a surprising spontaneous polarization density of ~ 21 μC/cm 2. Combining the experimental results with first principles calculations, we propose that the observed deep polarization is induced by the electric field originating from oxygen vacancies that extend beyond a dozen unit-cells from the interface, thus providing important evidence of the role of defects in the emergent interface properties ofmore » transition metal oxides.« less

Customization of user interfaces to reduce errors and enhance user acceptance.

PubMed

Burkolter, Dina; Weyers, Benjamin; Kluge, Annette; Luther, Wolfram

2014-03-01

Customization is assumed to reduce error and increase user acceptance in the human-machine relation. Reconfiguration gives the operator the option to customize a user interface according to his or her own preferences. An experimental study with 72 computer science students using a simulated process control task was conducted. The reconfiguration group (RG) interactively reconfigured their user interfaces and used the reconfigured user interface in the subsequent test whereas the control group (CG) used a default user interface. Results showed significantly lower error rates and higher acceptance of the RG compared to the CG while there were no significant differences between the groups regarding situation awareness and mental workload. Reconfiguration seems to be promising and therefore warrants further exploration. Copyright © 2013 Elsevier Ltd and The Ergonomics Society. All rights reserved.

Current-voltage characteristics in organic field-effect transistors. Effect of interface dipoles

NASA Astrophysics Data System (ADS)

Sworakowski, Juliusz

2015-07-01

The role of polar molecules present at dielectric/semiconductor interfaces of organic field-effect transistors (OFETs) has been assessed employing the electrostatic model put forward in a recently published paper (Sworakowski et al., 2014). The interface dipoles create dipolar traps in the surface region of the semiconductor, their depths decreasing with the distance from the interface. This feature results in appearance of mobility gradients in the direction perpendicular to the dielectric/semiconductor interface, manifesting themselves in modification of the shapes of current-voltage characteristics. The effect may account for differences in carrier mobilities determined from the same experimental data using methods scanning different ranges of channel thicknesses (e.g., transconductances vs. transfer characteristics), differences between turn-on voltages and threshold voltages, and gate voltage dependence of mobility.

Calculation of the acid-base equilibrium constants at the alumina/electrolyte interface from the ph dependence of the adsorption of singly charged ions (Na+, Cl-)

NASA Astrophysics Data System (ADS)

Gololobova, E. G.; Gorichev, I. G.; Lainer, Yu. A.; Skvortsova, I. V.

2011-05-01

A procedure was proposed for the calculation of the acid-base equilibrium constants at an alumina/electrolyte interface from experimental data on the adsorption of singly charged ions (Na+, Cl-) at various pH values. The calculated constants (p K {1/0}= 4.1, p K {2/0}= 11.9, p K {3/0}= 8.3, and p K {4/0}= 7.7) are shown to agree with the values obtained from an experimental pH dependence of the electrokinetic potential and the results of potentiometric titration of Al2O3 suspensions.

Growth of concentrated GaInSb alloys with improved chemical homogeneity at low and variable pulling rates

NASA Astrophysics Data System (ADS)

Stelian, C.; Duffar, T.; Mitric, A.; Corregidor, V.; Alves, L. C.; Barradas, N. P.

2005-09-01

Crystal growth of concentrated GaInSb alloys during vertical Bridgman method has been numerically and experimentally investigated. The numerical and experimental results show a strong solutal damping effect on the melt convection in the case of concentrated (x=0.1 and 0.2) alloys grown at 1 μm/s pulling rate of the crucible. This leads to a huge increase of chemical heterogeneities and solid-liquid interface curvature. Analytical relations, which describe the solutal effect on the melt convection, show that the damping effect can be avoided by using low growth rates. The experimental results for Bridgman solidification of Ga0.85In0.15Sb at V=0.4 μm/s pulling rate, show that the axial and radial variations of indium concentration in the sample are reduced as compared with crystals grown at high pulling rates. The interface deflection is maintained at lower values during the growth process and the morphological destabilization of the interface occurs only at the end of the solidification. The growth at variable pulling rates is also investigated and from the numerical modeling it is found that the axial chemical homogeneity of the sample can be improved.

Characterization of AFB sapphire single crystal composites for infrared window application

NASA Astrophysics Data System (ADS)

Lee, H.-C.; Meissner, H. E.

2007-04-01

Next generation weapons platforms may require 30" x 30" sapphire windows. Since these sizes exceed what can be manufactured directly, a concept is proposed and experimental data are furnished in this report on the viability of increasing the window dimensions by Adhesive-Free-Bonding (AFB®) of smaller starting components by their edges. The bonding scheme has been evaluated for single crystal sapphire but is expected to also work equally well for other IR window materials. The bonding mechanism is explained with Van der Waals theory of attractive forces and confirmed experimentally by applying the bending plate theory. The gap at the interface between two components is deduced from the measured roughness of the polished surfaces that are brought into optical contact and subsequently heat-treated, and is estimated to be about 2 Å rms. Stress relief at AFB® interfaces has been established. Experimental data of flexural strength determined by four-point bending at room temperature is reported. The data indicates that AFB® composite specimens and equivalently prepared blank samples fracture at statistically same loads under standardized testing conditions. Failure of composites has not been observed at the interface and only at random flaws that are a result of sample preparation.

Mass transfer in thin films under counter-current gas: experiments and numerical study

NASA Astrophysics Data System (ADS)

Lucquiaud, Mathieu; Lavalle, Gianluca; Schmidt, Patrick; Ausner, Ilja; Wehrli, Marc; O Naraigh, Lennon; Valluri, Prashant

2016-11-01

Mass transfer in liquid-gas stratified flows is strongly affected by the waviness of the interface. For reactive flows, the chemical reactions occurring at the liquid-gas interface also influence the mass transfer rate. This is encountered in several technological applications, such as absorption units for carbon capture. We investigate the absorption rate of carbon dioxide in a liquid solution. The experimental set-up consists of a vertical channel where a falling film is sheared by a counter-current gas flow. We measure the absorption occurring at different flow conditions, by changing the liquid solution, the liquid flow rate and the gas composition. With the aim to support the experimental results with numerical simulations, we implement in our level-set flow solver a novel module for mass transfer taking into account a variant of the ghost-fluid formalism. We firstly validate the pure mass transfer case with and without hydrodynamics by comparing the species concentration in the bulk flow to the analytical solution. In a final stage, we analyse the absorption rate in reactive flows, and try to reproduce the experimental results by means of numerical simulations to explore the active role of the waves at the interface.

Investigating buried polymer interfaces using sum frequency generation vibrational spectroscopy

PubMed Central

Chen, Zhan

2010-01-01

This paper reviews recent progress in the studies of buried polymer interfaces using sum frequency generation (SFG) vibrational spectroscopy. Both buried solid/liquid and solid/solid interfaces involving polymeric materials are discussed. SFG studies of polymer/water interfaces show that different polymers exhibit varied surface restructuring behavior in water, indicating the importance of probing polymer/water interfaces in situ. SFG has also been applied to the investigation of interfaces between polymers and other liquids. It has been found that molecular interactions at such polymer/liquid interfaces dictate interfacial polymer structures. The molecular structures of silane molecules, which are widely used as adhesion promoters, have been investigated using SFG at buried polymer/silane and polymer/polymer interfaces, providing molecular-level understanding of polymer adhesion promotion. The molecular structures of polymer/solid interfaces have been examined using SFG with several different experimental geometries. These results have provided molecular-level information about polymer friction, adhesion, interfacial chemical reactions, interfacial electronic properties, and the structure of layer-by-layer deposited polymers. Such research has demonstrated that SFG is a powerful tool to probe buried interfaces involving polymeric materials, which are difficult to study by conventional surface sensitive analytical techniques. PMID:21113334

Interface segregation behavior in thermal aged austenitic precipitation strengthened stainless steel.

PubMed

Li, Hui; Song, Hui; Liu, Wenqing; Xia, Shuang; Zhou, Bangxin; Su, Cheng; Ding, Wenyan

2015-12-01

The segregation of various elements at grain boundaries, precipitate/matrix interfaces were analyzed using atom probe tomography in an austenitic precipitation strengthened stainless steel aged at 750 °C for different time. Segregation of P, B and C at all types of interfaces in all the specimens were observed. However, Si segregated at all types of interfaces only in the specimen aged for 16 h. Enrichment of Ti at grain boundaries was evident in the specimen aged for 16 h, while Ti did not segregate at other interfaces. Mo varied considerably among interface types, e.g. from segregated at grain boundaries in the specimens after all the aging time to never segregate at γ'/γ phase interfaces. Cr co-segregated with C at grain boundaries, although carbides still did not nucleate at grain boundaries yet. Despite segregation tendency variations in different interface types, the segregation tendency evolution variation of different elements depending aging time were analyzed among all types of interfaces. Based on the experimental results, the enrichment factors, Gibbs interface excess and segregation free energies of segregated elements were calculated and discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

Guanine base stacking in G-quadruplex nucleic acids

PubMed Central

Lech, Christopher Jacques; Heddi, Brahim; Phan, Anh Tuân

2013-01-01

G-quadruplexes constitute a class of nucleic acid structures defined by stacked guanine tetrads (or G-tetrads) with guanine bases from neighboring tetrads stacking with one another within the G-tetrad core. Individual G-quadruplexes can also stack with one another at their G-tetrad interface leading to higher-order structures as observed in telomeric repeat-containing DNA and RNA. In this study, we investigate how guanine base stacking influences the stability of G-quadruplexes and their stacked higher-order structures. A structural survey of the Protein Data Bank is conducted to characterize experimentally observed guanine base stacking geometries within the core of G-quadruplexes and at the interface between stacked G-quadruplex structures. We couple this survey with a systematic computational examination of stacked G-tetrad energy landscapes using quantum mechanical computations. Energy calculations of stacked G-tetrads reveal large energy differences of up to 12 kcal/mol between experimentally observed geometries at the interface of stacked G-quadruplexes. Energy landscapes are also computed using an AMBER molecular mechanics description of stacking energy and are shown to agree quite well with quantum mechanical calculated landscapes. Molecular dynamics simulations provide a structural explanation for the experimentally observed preference of parallel G-quadruplexes to stack in a 5′–5′ manner based on different accessible tetrad stacking modes at the stacking interfaces of 5′–5′ and 3′–3′ stacked G-quadruplexes. PMID:23268444

Experimental Studies of the Interaction Between a Parallel Shear Flow and a Directionally-Solidifying Front

NASA Technical Reports Server (NTRS)

Zhang, Meng; Maxworthy, Tony

1999-01-01

It has long been recognized that flow in the melt can have a profound influence on the dynamics of a solidifying interface and hence the quality of the solid material. In particular, flow affects the heat and mass transfer, and causes spatial and temporal variations in the flow and melt composition. This results in a crystal with nonuniform physical properties. Flow can be generated by buoyancy, expansion or contraction upon phase change, and thermo-soluto capillary effects. In general, these flows can not be avoided and can have an adverse effect on the stability of the crystal structures. This motivates crystal growth experiments in a microgravity environment, where buoyancy-driven convection is significantly suppressed. However, transient accelerations (g-jitter) caused by the acceleration of the spacecraft can affect the melt, while convection generated from the effects other than buoyancy remain important. Rather than bemoan the presence of convection as a source of interfacial instability, Hurle in the 1960s suggested that flow in the melt, either forced or natural convection, might be used to stabilize the interface. Delves considered the imposition of both a parabolic velocity profile and a Blasius boundary layer flow over the interface. He concluded that fast stirring could stabilize the interface to perturbations whose wave vector is in the direction of the fluid velocity. Forth and Wheeler considered the effect of the asymptotic suction boundary layer profile. They showed that the effect of the shear flow was to generate travelling waves parallel to the flow with a speed proportional to the Reynolds number. There have been few quantitative, experimental works reporting on the coupling effect of fluid flow and morphological instabilities. Huang studied plane Couette flow over cells and dendrites. It was found that this flow could greatly enhance the planar stability and even induce the cell-planar transition. A rotating impeller was buried inside the sample cell, driven by an outside rotating magnet, in order to generate the flow. However, it appears that this was not a well-controlled flow and may also have been unsteady. In the present experimental study, we want to study how a forced parallel shear flow in a Hele-Shaw cell interacts with the directionally solidifying crystal interface. The comparison of experimental data show that the parallel shear flow in a Hele-Shaw cell has a strong stabilizing effect on the planar interface by damping the existing initial perturbations. The flow also shows a stabilizing effect on the cellular interface by slightly reducing the exponential growth rate of cells. The left-right symmetry of cells is broken by the flow with cells tilting toward the incoming flow direction. The tilting angle increases with the velocity ratio. The experimental results are explained through the parallel flow effect on lateral solute transport. The phenomenon of cells tilting against the flow is consistent with the numerical result of Dantzig and Chao.

Impact of Interface States and Bulk Carrier Lifetime on Photocapacitance of Metal/Insulator/GaN Structure for Ultraviolet Light Detection

NASA Astrophysics Data System (ADS)

Bidzinski, Piotr; Miczek, Marcin; Adamowicz, Boguslawa; Mizue, Chihoko; Hashizume, Tamotsu

2011-04-01

The influence of interface state density and bulk carrier lifetime on the dependencies of photocapacitance versus wide range of gate bias (-0.1 to -3 V) and light intensity (109 to 1020 photon cm-2 s-1) was studied for metal/insulator/n-GaN UV light photodetector by means of numerical simulations. The light detection limit and photocapacitance saturation were analyzed in terms of the interface charge and interface Fermi level for electrons and holes and effective interface recombination velocity. It was proven that the excess carrier recombination through interface states is the main reason of photocapacitance signal quenching. It was found that the photodetector can work in various modes (on-off or quantitative light measurement) adjusted by the gate bias. A comparison between experimental data and theoretical capacitance-light intensity characteristics was made. A new method for the determination of the interface state density distribution from capacitance-voltage-light intensity measurements was also proposed.

Interactome INSIDER: a structural interactome browser for genomic studies.

PubMed

Meyer, Michael J; Beltrán, Juan Felipe; Liang, Siqi; Fragoza, Robert; Rumack, Aaron; Liang, Jin; Wei, Xiaomu; Yu, Haiyuan

2018-01-01

We present Interactome INSIDER, a tool to link genomic variant information with structural protein-protein interactomes. Underlying this tool is the application of machine learning to predict protein interaction interfaces for 185,957 protein interactions with previously unresolved interfaces in human and seven model organisms, including the entire experimentally determined human binary interactome. Predicted interfaces exhibit functional properties similar to those of known interfaces, including enrichment for disease mutations and recurrent cancer mutations. Through 2,164 de novo mutagenesis experiments, we show that mutations of predicted and known interface residues disrupt interactions at a similar rate and much more frequently than mutations outside of predicted interfaces. To spur functional genomic studies, Interactome INSIDER (http://interactomeinsider.yulab.org) enables users to identify whether variants or disease mutations are enriched in known and predicted interaction interfaces at various resolutions. Users may explore known population variants, disease mutations, and somatic cancer mutations, or they may upload their own set of mutations for this purpose.

Experimental Characterization of the Jet Wiping Process

NASA Astrophysics Data System (ADS)

Mendez, Miguel Alfonso; Enache, Adriana; Gosset, Anne; Buchlin, Jean-Marie

2018-06-01

This paper presents an experimental characterization of the jet wiping process, used in continuous coating applications to control the thickness of a liquid coat using an impinging gas jet. Time Resolved Particle Image Velocimetry (TR-PIV) is used to characterize the impinging gas flow, while an automatic interface detection algorithm is developed to track the liquid interface at the impact. The study of the flow interaction is combined with time resolved 3D thickness measurements of the liquid film remaining after the wiping, via Time Resolved Light Absorption (TR-LAbs). The simultaneous frequency analysis of liquid and gas flows allows to correlate their respective instability, provide an experimental data set for the validation of numerical studies and allows for formulating a working hypothesis on the origin of the coat non-uniformity encountered in many jet wiping processes.

Particle Engulfment and Pushing By Solidifying Interfaces

NASA Technical Reports Server (NTRS)

Stefanescu, Doru M.; Mukherjee, Sundeep; Juretzko, Frank Robert; Catalina, A.drian V.; Sen, Subhayu; Curreri, P. A.

2001-01-01

The phenomenon of interaction of particles with solid-liquid interfaces (SLI) has been studied since the mid 1960's. While the original interest stemmed from geology applications (frost heaving in soil), researchers soon realized that fundamental understanding of particles behavior at solidifying interfaces might yield practical benefits in other fields, including metallurgy. In materials engineering the main issue is the location of particles with respect to grain boundaries at the end of solidification. Considerable experimental and theoretical research was lately focused on applications to metal matrix composites produced by casting or spray forming techniques, and on inclusion management in steel. Another application of particle SLI interaction is in the growing of Y1Ba2Cu3O(7-delta) (123) superconductor crystals from an undercooled liquid. The oxide melt contains Y2Ba1Cu1O5 (211) precipitates, which act as flux pinning sites. The experimental evidence on transparent organic materials, as well as the recent in situ observations on steel demonstrates that there exist a critical velocity of the planar SLI below which particles are pushed ahead of the interface, and above which particles are engulfment. The engulfment of a SiC particle in succinonitrile is exemplified. However, in most commercial alloys dendritic interfaces must be considered. Indeed, most data available on metallic alloys are on dendritic structures. The term engulfment is used to describe incorporation of a particle by a planar or cellular interface as a result of local interface perturbation, as opposed to entrapment that implies particle incorporation at cells or dendrites boundaries. During entrapment the particles are pushed in the intercellular or interdendritic regions and then captured when local solidification occurs. The physics of these two phenomena is fundamentally different.

On the inclusion of alkanes into the monolayer of aliphatic alcohols at the water/alkane vapor interface: a quantum chemical approach.

PubMed

Vysotsky, Yuri B; Fomina, Elena S; Belyaeva, Elena A; Fainerman, Valentin B; Vollhardt, Dieter

2013-02-14

In the framework of the quantum chemical semiempirical PM3 method thermodynamic and structural parameters of the formation and clusterization of aliphatic alcohols C(n)H(2n+1)OH (n(OH) = 8-16) at 298 K at the water/alkane vapor C(n)H(2n+2), (n(CH(3)) = 6-16) interface were calculated. The dependencies of enthalpy, entropy and Gibbs' energy of clusterization per one monomer molecule of 2D films on the alkyl chain length of corresponding alcohols and alkanes, the molar fraction of alkanes in the monolayers and the immersion degree of alcohol molecules into the water phase were shown to be linear or stepwise. The threshold of spontaneous clusterization of aliphatic alcohols at the water/alkane vapor interface was 10-11 carbon atoms at 298 K which is in line with experimental data at the air/water interface. It is shown that the presence of alkane vapor does not influence the process of alcohol monolayer formation. The structure of these monolayers is analogous to those obtained at the air/water interface in agreement with experimental data. The inclusion of alkane molecules into the amphiphilic monolayer at the water/alkane vapor interface is possible for amphiphiles with the spontaneous clusterization threshold at the air/water interface (n(s)(0)) of at least 16 methylene units in the alkyl chain, and it does not depend on the molar fraction of alkanes in the corresponding monolayer. The inclusion of alkanes from the vapor phase into the amphiphilic monolayer also requires that the difference between the alkyl chain lengths of alcohols and alkanes is not larger than n(s)(0) - 15 and n(s)(0) - 14 for the 2D film 1 and 2D film 2, respectively.

Hard real-time closed-loop electrophysiology with the Real-Time eXperiment Interface (RTXI)

PubMed Central

George, Ansel; Dorval, Alan D.; Christini, David J.

2017-01-01

The ability to experimentally perturb biological systems has traditionally been limited to static pre-programmed or operator-controlled protocols. In contrast, real-time control allows dynamic probing of biological systems with perturbations that are computed on-the-fly during experimentation. Real-time control applications for biological research are available; however, these systems are costly and often restrict the flexibility and customization of experimental protocols. The Real-Time eXperiment Interface (RTXI) is an open source software platform for achieving hard real-time data acquisition and closed-loop control in biological experiments while retaining the flexibility needed for experimental settings. RTXI has enabled users to implement complex custom closed-loop protocols in single cell, cell network, animal, and human electrophysiology studies. RTXI is also used as a free and open source, customizable electrophysiology platform in open-loop studies requiring online data acquisition, processing, and visualization. RTXI is easy to install, can be used with an extensive range of external experimentation and data acquisition hardware, and includes standard modules for implementing common electrophysiology protocols. PMID:28557998

Organic/inorganic-doped aromatic derivative crystals: Growth and properties

NASA Astrophysics Data System (ADS)

Stanculescu, F.; Ionita, I.; Stanculescu, A.

2014-09-01

Results of a comparative study on the growth from melt by the Bridgman-Stockbarger method of meta-dinitrobenzene (m-DNB) and benzil (Bz) crystals in the same experimental set-up and the same experimental conditions are presented. The incorporation of an inorganic (iodine) dopant in m-DNB was analyzed in the given experimental conditions from the point of view of the solid-liquid interface stability. The limits for a stable growth and the conditions that favor the generation of morphological instability are emphasized. These limits for m-DNB are compatible with those previously determined for Bz, and therefore, even for a high gradient concentration at the growth interface, it is possible to grow m-DNB and Bz crystals in the same experimental conditions characterized by a high ΔT and v. The optical properties were investigated in relation with the dopant incorporation in the crystal in the mentioned experimental conditions. Effects of the dopant (m-DNB/iodine in Bz and iodine in m-DNB) on the optical band gap and optical non-linear properties of the crystals are discussed.

Thermotropic phase transition in an adsorbed melissic acid film at the n-hexane-water interface

NASA Astrophysics Data System (ADS)

Tikhonov, A. M.

2017-06-01

A reversible thermotropic phase transition in an adsorption melissic acid film at the interface between n-hexane and an aqueous solution of potassium hydroxide (pH ≈ 10) is investigated by X-ray reflectometry and diffuse scattering using synchrotron radiation. The experimental data indicate that the interface "freezing" transition is accompanied not only by the crystallization of the Gibbs monolayer but also by the formation of a planar smectic structure in the 300-Å-thick adsorption film; this structure is formed by 50-Å-thick layers.

Interfacing VPSC with finite element codes. Demonstration of irradiation growth simulation in a cladding tube

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

Patra, Anirban; Tome, Carlos

This Milestone report shows good progress in interfacing VPSC with the FE codes ABAQUS and MOOSE, to perform component-level simulations of irradiation-induced deformation in Zirconium alloys. In this preliminary application, we have performed an irradiation growth simulation in the quarter geometry of a cladding tube. We have benchmarked VPSC-ABAQUS and VPSC-MOOSE predictions with VPSC-SA predictions to verify the accuracy of the VPSCFE interface. Predictions from the FE simulations are in general agreement with VPSC-SA simulations and also with experimental trends.

ISLE (Image and Signal LISP Environment): A functional language interface for signal and image processing

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

Azevedo, S.G.; Fitch, J.P.

1987-10-21

Conventional software interfaces that use imperative computer commands or menu interactions are often restrictive environments when used for researching new algorithms or analyzing processed experimental data. We found this to be true with current signal-processing software (SIG). As an alternative, ''functional language'' interfaces provide features such as command nesting for a more natural interaction with the data. The Image and Signal LISP Environment (ISLE) is an example of an interpreted functional language interface based on common LISP. Advantages of ISLE include multidimensional and multiple data-type independence through dispatching functions, dynamic loading of new functions, and connections to artificial intelligence (AI)more » software. 10 refs.« less

ISLE (Image and Signal Lisp Environment): A functional language interface for signal and image processing

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

Azevedo, S.G.; Fitch, J.P.

1987-05-01

Conventional software interfaces which utilize imperative computer commands or menu interactions are often restrictive environments when used for researching new algorithms or analyzing processed experimental data. We found this to be true with current signal processing software (SIG). Existing ''functional language'' interfaces provide features such as command nesting for a more natural interaction with the data. The Image and Signal Lisp Environment (ISLE) will be discussed as an example of an interpreted functional language interface based on Common LISP. Additional benefits include multidimensional and multiple data-type independence through dispatching functions, dynamic loading of new functions, and connections to artificial intelligencemore » software.« less

Evaluation of long-term pavement performance and noise characteristics of open-graded friction courses : project 3.

DOT National Transportation Integrated Search

2010-06-01

This experimental project is being conducted as a part of WSDOTs effort to produce pavements that reduce the noise : generated at the tire/pavement interface. Experimental sections of open-graded friction courses were built using asphalt rubber : ...

Evaluation of long-term pavement performance and noise characteristics of open-graded friction courses : project 2.

DOT National Transportation Integrated Search

2012-06-01

This report describes the second of three experimental installations of open-graded friction course (OGFC) quieter pavements designed to reduce the noise generated at the tire/pavement interface. Experimental sections of OGFC were built using a...

Local Dielectric Property Detection of the Interface between Nanoparticle and Polymer in Nanocomposite Dielectrics

NASA Astrophysics Data System (ADS)

Peng, Simin; Zeng, Qibin; Yang, Xiao; Hu, Jun; Qiu, Xiaohui; He, Jinliang

2016-12-01

The interface between nanoparticles and polymer matrix is considered to have an important effect on the properties of nanocomposites. In this experimental study, electrostatic force microscopy (EFM) is used to study the local dielectric property of the interface of low density polyethylene (LDPE)/TiO2 nanocomposites at nanometer scale. The results show that the addition of TiO2 nanoparticles leads to a decrease in local permittivity. We then carry out the finite element simulation and confirm that the decrease of local permittivity is related to the effect of interface. According to the results, we propose several models and validate the dielectric effect and range effect of interface. Through the analysis of DSC and solid-state NMR results, we find TiO2 nanoparticles can suppress the mobility of local chain segments in the interface, which influences the dipolar polarization of chain segments in the interface and eventually results in a decrease in local permittivity. It is believed the results would provide important hint to the research of the interface in future research.

Local Dielectric Property Detection of the Interface between Nanoparticle and Polymer in Nanocomposite Dielectrics

PubMed Central

Peng, Simin; Zeng, Qibin; Yang, Xiao; Hu, Jun; Qiu, Xiaohui; He, Jinliang

2016-01-01

The interface between nanoparticles and polymer matrix is considered to have an important effect on the properties of nanocomposites. In this experimental study, electrostatic force microscopy (EFM) is used to study the local dielectric property of the interface of low density polyethylene (LDPE)/TiO2 nanocomposites at nanometer scale. The results show that the addition of TiO2 nanoparticles leads to a decrease in local permittivity. We then carry out the finite element simulation and confirm that the decrease of local permittivity is related to the effect of interface. According to the results, we propose several models and validate the dielectric effect and range effect of interface. Through the analysis of DSC and solid-state NMR results, we find TiO2 nanoparticles can suppress the mobility of local chain segments in the interface, which influences the dipolar polarization of chain segments in the interface and eventually results in a decrease in local permittivity. It is believed the results would provide important hint to the research of the interface in future research. PMID:27958347

On the Ionization and Ion Transmission Efficiencies of Different ESI-MS Interfaces

PubMed Central

Cox, Jonathan T.; Marginean, Ioan; Smith, Richard D.; Tang, Keqi

2014-01-01

The achievable sensitivity of electrospray ionization mass spectrometry (ESI-MS) is largely determined by the ionization efficiency in the ESI source and ion transmission efficiency through the ESI-MS interface. These performance characteristics are difficult to evaluate and compare across multiple platforms as it is difficult to correlate electrical current measurements to actual analyte ions reaching the detector of a mass spectrometer. We present an effective method to evaluate the overall ion utilization efficiency of an ESI-MS interface by measuring the total gas phase ion current transmitted through the interface and correlating it to the observed ion abundance measured in the corresponding mass spectrum. Using this method we systematically studied the ion transmission and ionization efficiencies of different ESI-MS interface configurations, including a single emitter/single inlet capillary, single emitter/multi-inlet capillary, and a subambient pressure ionization with nanoelectrospray (SPIN) MS interface with a single emitter and an emitter array, respectively. Our experimental results indicate that the overall ion utilization efficiency of SPIN-MS interface configurations exceeds that of the inlet capillary-based ESI-MS interface configurations. PMID:25267087

On the ionization and ion transmission efficiencies of different ESI-MS interfaces.

PubMed

Cox, Jonathan T; Marginean, Ioan; Smith, Richard D; Tang, Keqi

2015-01-01

The achievable sensitivity of electrospray ionization mass spectrometry (ESI-MS) is largely determined by the ionization efficiency in the ESI source and ion transmission efficiency through the ESI-MS interface. These performance characteristics are difficult to evaluate and compare across multiple platforms as it is difficult to correlate electrical current measurements to actual analyte ions reaching the detector of a mass spectrometer. We present an effective method to evaluate the overall ion utilization efficiency of an ESI-MS interface by measuring the total gas-phase ion current transmitted through the interface and correlating it to the observed ion abundance measured in the corresponding mass spectrum. Using this method, we systematically studied the ion transmission and ionization efficiencies of different ESI-MS interface configurations, including a single emitter/single inlet capillary, single emitter/multi-inlet capillary, and a subambient pressure ionization with nanoelectrospray (SPIN) MS interface with a single emitter and an emitter array, respectively. Our experimental results indicate that the overall ion utilization efficiency of SPIN-MS interface configurations exceeds that of the inlet capillary-based ESI-MS interface configurations.

Emissivity of Rocket Plume Particulates

DTIC Science & Technology

1992-09-01

V. EXPERIMENTAL RESULTS ........ ............... 29 VI. CONCLUSIONS AND RECOMMENDATIONS .... ........ 32 APPENDIX A. CATS -E SOFTWARE...interfaced through the CATS E Thermal Analysis software, which is MS-DOS based, and can be run on any 28b or higher CPU. This system allows real-time...body source to establish the parameters required by the CATS program for proper microscope/scanner interface. A complete description of microscope

Evaluating Gaze-Based Interface Tools to Facilitate Point-and-Select Tasks with Small Targets

ERIC Educational Resources Information Center

Skovsgaard, Henrik; Mateo, Julio C.; Hansen, John Paulin

2011-01-01

Gaze interaction affords hands-free control of computers. Pointing to and selecting small targets using gaze alone is difficult because of the limited accuracy of gaze pointing. This is the first experimental comparison of gaze-based interface tools for small-target (e.g. less than 12 x 12 pixels) point-and-select tasks. We conducted two…

Post-experimental analysis of a solid oxide fuel cell stack using hybrid seals

NASA Astrophysics Data System (ADS)

Thomann, O.; Rautanen, M.; Himanen, O.; Tallgren, J.; Kiviaho, J.

2015-01-01

A post-experimental analysis of a SOFC stack is presented. The stack was operated for 1800 h at 700 °C with air and hydrogen and contained hybrid glass-Thermiculite 866 seals. The goal of this work was to investigate the sealing microstructure and possible corrosion during mid-term operation. It was found that hybrid seals could effectively compensate for manufacturing tolerances of cells and other components due to the compliance of the glass layer. Additionally, different interfaces were investigated for corrosion. Corrosion was not observed at two-phase interfaces such as Crofer 22 APU/glass, glass/electrolyte and glass/Thermiculite 866. The three-phase interface between Crofer 22 APU/glass/hydrogen exhibited no corrosion. Some evidence of non-systematic corrosion was found at the Crofer 22 APU/glass/air interface. The possible reasons for the corrosion are discussed. Lastly, dual exposure to humid hydrogen and air of the 0.2 mm Crofer 22 APU interconnect had no detrimental effect on the corrosion compared to air exposure. Overall the hybrid seals used in combination with the thin interconnects were found to be a promising solution due to the low leak rate and limited material interactions.

UV-Vis reflection spectroscopy under variable angle incidence at the air-liquid interface.

PubMed

Roldán-Carmona, Cristina; Rubia-Payá, Carlos; Pérez-Morales, Marta; Martín-Romero, María T; Giner-Casares, Juan J; Camacho, Luis

2014-03-07

The UV-Vis reflection spectroscopy (UV-Vis-RS) in situ at the air-liquid interface provides information about tilt and aggregation of chromophores in Langmuir monolayers. This information is particularly important given in most cases the chromophore is located at the polar region of the Langmuir monolayer. This region of the Langmuir monolayers has been hardly accessible by other experimental techniques. In spite of its enormous potential, the application of UV-Vis-RS has been limited mainly to reflection measurements under light normal incidence or at lower incidence angles than the Brewster angle. Remarkably, this technique is quite sensitive to the tilt of the chromophores at values of incidence angles close to or larger than the Brewster angle. Therefore, a novel method to obtain the order parameter of the chromophores at the air-liquid interface by using s- and p-polarized radiation at different incidence angles is proposed. This method allowed for the first time the experimental observation of the two components with different polarization properties of a single UV-Vis band at the air-liquid interface. The method of UV-Vis spectroscopy under variable angle incidence is presented as a new tool for obtaining rich detailed information on Langmuir monolayers.

Optical Interface States Protected by Synthetic Weyl Points

NASA Astrophysics Data System (ADS)

Wang, Qiang; Xiao, Meng; Liu, Hui; Zhu, Shining; Chan, C. T.

2017-07-01

Weyl fermions have not been found in nature as elementary particles, but they emerge as nodal points in the band structure of electronic and classical wave crystals. Novel phenomena such as Fermi arcs and chiral anomaly have fueled the interest in these topological points which are frequently perceived as monopoles in momentum space. Here, we report the experimental observation of generalized optical Weyl points inside the parameter space of a photonic crystal with a specially designed four-layer unit cell. The reflection at the surface of a truncated photonic crystal exhibits phase vortexes due to the synthetic Weyl points, which in turn guarantees the existence of interface states between photonic crystals and any reflecting substrates. The reflection phase vortexes have been confirmed for the first time in our experiments, which serve as an experimental signature of the generalized Weyl points. The existence of these interface states is protected by the topological properties of the Weyl points, and the trajectories of these states in the parameter space resembles those of Weyl semimetal "Fermi arc surface states" in momentum space. Tracing the origin of interface states to the topological character of the parameter space paves the way for a rational design of strongly localized states with enhanced local field.

ICF Implosions, Space-Charge Electric Fields, and Their Impact on Mix and Compression

NASA Astrophysics Data System (ADS)

Knoll, Dana; Chacon, Luis; Simakov, Andrei

2013-10-01

The single-fluid, quasi-neutral, radiation hydrodynamics codes, used to design the NIF targets, predict thermonuclear ignition for the conditions that have been achieved experimentally. A logical conclusion is that the physics model used in these codes is missing one, or more, key phenomena. Two key model-experiment inconsistencies on NIF are: 1) a lower implosion velocity than predicted by the design codes, and 2) transport of pusher material deep into the hot spot. We hypothesize that both of these model-experiment inconsistencies may be a result of a large, space-charge, electric field residing on the distinct interfaces in a NIF target. Large space-charge fields have been experimentally observed in Omega experiments. Given our hypothesis, this presentation will: 1) Develop a more complete physics picture of initiation, sustainment, and dissipation of a current-driven plasma sheath / double-layer at the Fuel-Pusher interface of an ablating plastic shell implosion on Omega, 2) Characterize the mix that can result from a double-layer field at the Fuel-Pusher interface, prior to the onset of fluid instabilities, and 3) Quantify the impact of the double-layer induced surface tension at the Fuel-Pusher interface on the peak observed implosion velocity in Omega.

Photonics surface waves on metamaterials interfaces.

PubMed

Takayama, Osamu; Bogdanov, Andrey; Lavrinenko, Andrei V

2017-09-12

A surface wave (SW) in optics is a light wave, which is supported at an interface of two dissimilar media and propagates along the interface with its field amplitude exponentially decaying away from the boundary. The research on surface waves has been flourishing in last few decades thanks to their unique properties of surface sensitivity and field localization. These features have resulted in applications in nano-guiding, sensing, light-trapping and imaging based on the near-field techniques, contributing to the establishment of the nanophotonics as a field of research. Up to present, a wide variety of surface waves has been investigated in numerous material and structure settings. This paper reviews the recent progress and development in the physics of SWs localized at metamaterial interfaces, as well as bulk media in order to provide broader perspectives on optical surface waves in general. For each type of the surface waves, we discuss material and structural platforms. We mainly focus on experimental realizations in the visible and near-infrared wavelength ranges. We also address existing and potential application of SWs in chemical and biological sensing, and experimental excitation and characterization methods. © 2017 IOP Publishing Ltd.

Microstructures, mechanical behavior and strengthening mechanism of TiSiCN nanocomposite films

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

Li, Wei; Liu, Ping; Xue, Zenghui

Recently, the arguments have existed in the strengthening mechanism and microstructural model of the nanocomposite film due to lack of the convincible experimental evidences. In this investigation, the quarternary TiSiCN nanocomposite films with the different C and Si contents are synthesized by the reactive-magnetron-sputtering technique. The TiSiCN film is characterized as the nanocomposite structure with the TiN nanocrystallites surrounded by the (Si 3N 4 + C + CN x) interface phase. When the C/Si content ratio is 2:2, the TiSiCN nanocomposite film is remarkably strengthened with the maximal hardness and elastic modulus of 46.1 GPa and 425 GPa, respectively. Meanwhile,more » the (Si 3N 4 + C + CN x) interfaces exhibit as a crystallized form, which can coordinate the growth misorientations and maintain the coherently epitaxial growth between the TiN nanocrystallites and interfaces. Through the high-resolution transmission electron microscopy (HRTEM) observations, this investigation firstly provides the direct experimental evidence for the crystallized feature of the interfaces when the TiSiCN nanocomposite film is strengthened, suggesting that the strengthening effect of the TiSiCN nanocomposite film can be attributed to the coherent-interface strengthening mechanism, which is expressed as the “nc-TiN/c-Si 3N 4/c-C/c-CN x” model.« less

Microstructures, mechanical behavior and strengthening mechanism of TiSiCN nanocomposite films

DOE PAGES

Li, Wei; Liu, Ping; Xue, Zenghui; ...

2017-05-18

Recently, the arguments have existed in the strengthening mechanism and microstructural model of the nanocomposite film due to lack of the convincible experimental evidences. In this investigation, the quarternary TiSiCN nanocomposite films with the different C and Si contents are synthesized by the reactive-magnetron-sputtering technique. The TiSiCN film is characterized as the nanocomposite structure with the TiN nanocrystallites surrounded by the (Si 3N 4 + C + CN x) interface phase. When the C/Si content ratio is 2:2, the TiSiCN nanocomposite film is remarkably strengthened with the maximal hardness and elastic modulus of 46.1 GPa and 425 GPa, respectively. Meanwhile,more » the (Si 3N 4 + C + CN x) interfaces exhibit as a crystallized form, which can coordinate the growth misorientations and maintain the coherently epitaxial growth between the TiN nanocrystallites and interfaces. Through the high-resolution transmission electron microscopy (HRTEM) observations, this investigation firstly provides the direct experimental evidence for the crystallized feature of the interfaces when the TiSiCN nanocomposite film is strengthened, suggesting that the strengthening effect of the TiSiCN nanocomposite film can be attributed to the coherent-interface strengthening mechanism, which is expressed as the “nc-TiN/c-Si 3N 4/c-C/c-CN x” model.« less

Auger-electron diffraction in the low kinetic-energy range: The Si(111)7×7 surface reconstruction and Ge/Si interface formation

NASA Astrophysics Data System (ADS)

de Crescenzi, M.; Gunnella, R.; Bernardini, R.; de Marco, M.; Davoli, I.

1995-07-01

We have investigated the Auger-electron diffraction (AED) of the L2,3VV Auger line of the clean 7×7 reconstructed Si(111) surface and the Ge/Si interface formed after a few monolayers (ML) of Ge deposition. The experimental AED in the low kinetic-energy regime has been interpreted within the framework of a multiple-scattering theory. The comparison of the AED data taken using both the x-ray source and an electron source evidences that the incident beam plays a negligible role when the experimental conditions require the use of an angular detector. The evolution of the Ge/Si(111) interface is studied by monitoring the intensity anisotropy of the Auger peaks of the two elements at room temperature (RT) and at 400 °C annealing temperature of the substrate. The evolution of the growth mechanism underlying the Ge/Si interface formation has been studied by exploiting the very low electron escape depth of this technique (<=5 Å). While at RT two monolayers of Ge deposition appear uniform and amorphous, the successive annealing induces an intermixing and a recrystallization only in the first two layers of the interface without any further interdiffusion. Furthermore, a Stranski-Krastanow growth mode has been deduced after deposition of 4 ML of Ge on a clean Si sample kept at 400 °C.

Electron transport in molecular wires with transition metal contacts

NASA Astrophysics Data System (ADS)

Dalgleish, Hugh

A molecular wire is an organic molecule that forms a conducting bridge between electronic contacts. Single molecules are likely to be the smallest entities to conduct electricity and thus molecular wires present many interesting challenges to fundamental science as well as enormous potential for nanoelectronic technological applications. A particular challenge stems from the realization that the properties of molecular wires are strongly influenced by the combined characteristics of the molecule and the metal contacts. While gold has been the most studied contact material to date, interest in molecular wires with transition metal contacts that are electronically more complex than gold is growing. This thesis presents a theoretical investigation of electron transport and associated phenomena in molecular wires with transition metal contacts. An appropriate methodology is developed on the basis of Landauer theory and ab initio and semi-empirical considerations and new, physically important systems are identified. Spin-dependent transport mechanisms and device characteristics are explored for molecular wires with ferromagnetic iron contacts, systems that have not been considered previously, either theoretically or experimentally. Electron transport between iron point contacts bridged by iron atoms is also investigated. Spin-dependent transport is also studied for molecules bridging nickel contacts and a possible explanation of some experimentally observed phenomena is proposed. A novel physical phenomenon termed strong spin current rectification and a new controllable negative differential resistance mechanism with potential applications for molecular electronic technology are introduced. The phenomena predicted in this thesis should be accessible to present day experimental techniques and this work is intended to stimulate experiments directed at observing them. Keywords. molecular electronics; spintronics; electron transport; interface states.

Understanding the interface of six-shell cuboctahedral and icosahedral palladium clusters on reduced graphene oxide: experimental and theoretical study.

PubMed

Gracia-Espino, Eduardo; Hu, Guangzhi; Shchukarev, Andrey; Wågberg, Thomas

2014-05-07

Studies on noble-metal-decorated carbon nanostructures are reported almost on a daily basis, but detailed studies on the nanoscale interactions for well-defined systems are very rare. Here we report a study of reduced graphene oxide (rGOx) homogeneously decorated with palladium (Pd) nanoclusters with well-defined shape and size (2.3 ± 0.3 nm). The rGOx was modified with benzyl mercaptan (BnSH) to improve the interaction with Pd clusters, and N,N-dimethylformamide was used as solvent and capping agent during the decoration process. The resulting Pd nanoparticles anchored to the rGOx-surface exhibit high crystallinity and are fully consistent with six-shell cuboctahedral and icosahedral clusters containing ~600 Pd atoms, where 45% of these are located at the surface. According to X-ray photoelectron spectroscopy analysis, the Pd clusters exhibit an oxidized surface forming a PdO(x) shell. Given the well-defined experimental system, as verified by electron microscopy data and theoretical simulations, we performed ab initio simulations using 10 functionalized graphenes (with vacancies or pyridine, amine, hydroxyl, carboxyl, or epoxy groups) to understand the adsorption process of BnSH, their further role in the Pd cluster formation, and the electronic properties of the graphene-nanoparticle hybrid system. Both the experimental and theoretical results suggest that Pd clusters interact with functionalized graphene by a sulfur bridge while the remaining Pd surface is oxidized. Our study is of significant importance for all work related to anchoring of nanoparticles on nanocarbon-based supports, which are used in a variety of applications.

Power and Energy Management Strategy for Solid State Transformer Interfaced DC Microgrid

NASA Astrophysics Data System (ADS)

Yu, Xunwei

As a result of more and more applications of renewable energy into our ordinary life, how to construct a microgrid (MG) based on the distributed renewable energy resources and energy storages, and then to supply a reliable and flexible power to the conventional power system are the hottest topics nowadays. Comparing to the AC microgrid (AC MG), DC microgrid (DC MG) gets more attentions, because it has its own advantages, such as high efficiency, easy to integrate the DC energy sources and energy storages, and so on. Furthermore, the interaction between DC MG system and the distribution system is also an important and practical issue. In Future Renewable Electric Energy Delivery and Management Systems Center (FREEDM), the Solid State Transformer (SST) is built, which can transform the distribution system to the low AC and DC system directly (usually home application level). Thus, the SST gives a new promising solution for low voltage level MG to interface the distribution level system instead of the traditional transformer. So a SST interfaced DC MG is proposed. However, it also brings new challenges in the design and control fields for this system because the system gets more complicated, which includes distributed energy sources and storages, load, and SST. The purpose of this dissertation is to design a reliable and flexible SST interfaced DC MG based on the renewable energy sources and energy storages, which can operate in islanding mode and SST-enabled mode. Dual Half Bridge (DHB) is selected as the topology for DC/DC converter in DC MG. The DHB operation procedure and average model are analyzed, which is the basis for the system modeling, control and operation. Furthermore, two novel power and energy management strategies are proposed. The first one is a distributed energy management strategy for the DC MG operating in the SST-enabled mode. In this method, the system is not only in distributed control to increase the system reliability, but the power sharing between DC MG and SST, State of Charge (SOC) for battery, are both considered in the system energy management strategy. Then the DC MG output power is controllable and the battery is autonomous charged and discharged based on its SOC and system information without communication. The system operation modes are defined, analyzed and the simulation results verify the strategy. The second power and energy management strategy is the hierarchical control. In this control strategy, three-layer control structure is presented and defined. The first layer is the primary control for the DC MG in islanding mode, which is to guarantee the DC MG system power balance without communication to increase the system reliability. The second control layer is to implement the seamless switch for DC MG system from islanding mode to SST-enabled mode. The third control layer is the tertiary control for the system energy management and the communication is also involved. The tertiary layer not only controls the whole DC MG output power, but also manages battery module charge and discharge statuses based on its SOC. The simulation and experimental results verify the methods. Some practical issues for the SST interfaced DC MG are also investigated. Power unbalance issue of SST is analyzed and a distributed control strategy is presented to solve this problem. Simulation and experimental results verify it. Furthermore, the control strategy for SST interfaced DC MG blackout is presented and the simulation results are shown to valid it. Also a plug and play SST interfaced DC MG is constructed and demonstrated. Several battery and PV modules construct a typical DC MG and a DC source is adopted to simulate the SST. The system is in distributed control and can operate in islanding mode and SST-enabled mode. The experimental results verify that individual module can plug into and unplug from the DC MG randomly without affecting the system stability. Furthermore, the communication ports are embedded into the system and a universal communication protocol is proposed to implement the plug and play function. Specified ID is defined for individual PV and battery for system recognition. A database is built to store the whole system date for visual display, monitor and history query.

Inter-subunit interactions across the upper voltage sensing-pore domain interface contribute to the concerted pore opening transition of Kv channels.

PubMed

Shem-Ad, Tzilhav; Irit, Orr; Yifrach, Ofer

2013-01-01

The tight electro-mechanical coupling between the voltage-sensing and pore domains of Kv channels lies at the heart of their fundamental roles in electrical signaling. Structural data have identified two voltage sensor pore inter-domain interaction surfaces, thus providing a framework to explain the molecular basis for the tight coupling of these domains. While the contribution of the intra-subunit lower domain interface to the electro-mechanical coupling that underlies channel opening is relatively well understood, the contribution of the inter-subunit upper interface to channel gating is not yet clear. Relying on energy perturbation and thermodynamic coupling analyses of tandem-dimeric Shaker Kv channels, we show that mutation of upper interface residues from both sides of the voltage sensor-pore domain interface stabilizes the closed channel state. These mutations, however, do not affect slow inactivation gating. We, moreover, find that upper interface residues form a network of state-dependent interactions that stabilize the open channel state. Finally, we note that the observed residue interaction network does not change during slow inactivation gating. The upper voltage sensing-pore interaction surface thus only undergoes conformational rearrangements during channel activation gating. We suggest that inter-subunit interactions across the upper domain interface mediate allosteric communication between channel subunits that contributes to the concerted nature of the late pore opening transition of Kv channels.

Fiber Bragg Grating Sensor System for Monitoring Smart Composite Aerospace Structures

NASA Technical Reports Server (NTRS)

Moslehi, Behzad; Black, Richard J.; Gowayed, Yasser

2012-01-01

Lightweight, electromagnetic interference (EMI) immune, fiber-optic, sensor- based structural health monitoring (SHM) will play an increasing role in aerospace structures ranging from aircraft wings to jet engine vanes. Fiber Bragg Grating (FBG) sensors for SHM include advanced signal processing, system and damage identification, and location and quantification algorithms. Potentially, the solution could be developed into an autonomous onboard system to inspect and perform non-destructive evaluation and SHM. A novel method has been developed to massively multiplex FBG sensors, supported by a parallel processing interrogator, which enables high sampling rates combined with highly distributed sensing (up to 96 sensors per system). The interrogation system comprises several subsystems. A broadband optical source subsystem (BOSS) and routing and interface module (RIM) send light from the interrogation system to a composite embedded FBG sensor matrix, which returns measurand-dependent wavelengths back to the interrogation system for measurement with subpicometer resolution. In particular, the returned wavelengths are channeled by the RIM to a photonic signal processing subsystem based on powerful optical chips, then passed through an optoelectronic interface to an analog post-detection electronics subsystem, digital post-detection electronics subsystem, and finally via a data interface to a computer. A range of composite structures has been fabricated with FBGs embedded. Stress tensile, bending, and dynamic strain tests were performed. The experimental work proved that the FBG sensors have a good level of accuracy in measuring the static response of the tested composite coupons (down to submicrostrain levels), the capability to detect and monitor dynamic loads, and the ability to detect defects in composites by a variety of methods including monitoring the decay time under different dynamic loading conditions. In addition to quasi-static and dynamic load monitoring, the system can capture acoustic emission events that can be a prelude to structural failure, as well as piezoactuator-induced ultrasonic Lamb-waves-based techniques as a basis for damage detection.

Physicochemical studies of mixed surfactant microemulsions with isopropyl myristate as oil.

PubMed

Bardhan, Soumik; Kundu, Kaushik; Saha, Swapan K; Paul, Bidyut K

2013-07-15

The present study is focused on evaluation of interfacial compositions and thermodynamic properties of w/o mixed surfactant [(sodium dodecylsulfate, SDS/polyoxyethylene (23) lauryl ether, Brij-35)/1-pentanol (Pn)/isopropyl myristate (IPM)] microemulsions under various physicochemical conditions by the dilution method. The number of moles of Pn at the interface (n(a)(i)) and bulk oil (n(a)(o)), and various thermodynamic parameters [viz. standard Gibbs free energy (ΔG(o→i)(0)), standard enthalpy (ΔH(o→i)(0)), and standard entropy (ΔS(o→i)(0)) of the transfer of Pn from bulk oil to the interface] have been found to be dependent on the molar ratio of water to surfactant (ω), concentration of Brij-35 (X(Brij-35)), and temperature. Temperature-insensitive microemulsions with zero specific heat capacity (ΔC(p)(0))(o→i) have been formed at specific compositions. The intrinsic enthalpy change of the transfer process (ΔH(0))(o→i)* has been evaluated from linear correlation between ΔH(o→i)(0) and ΔS(o→i)(0) at different experimental temperatures. The present report also aims at a precise characterization on the basis of molecular interactions between the constituents and provides insight into the nature of the oil/water interfaces of these systems by conductivity and dynamic light scattering studies as a function of ω and X(Brij-35). Conductivity studies reveal that incorporation of Brij-35 in non-percolating water/SDS/Pn/IPM systems makes them favorable for ω-induced percolation behavior up to X(Brij-35) ≤ 0.5. But further addition of Brij-35 causes a decrease in conductivity with increasing ω. Furthermore, the hydrodynamic diameters of the microemulsion droplets increase with increase in both X(Brij-35) and ω. Correlations of the results in terms of the evaluated physicochemical parameters have been attempted. Copyright © 2013 Elsevier Inc. All rights reserved.

Spatial Competition: Roughening of an Experimental Interface.

PubMed

Allstadt, Andrew J; Newman, Jonathan A; Walter, Jonathan A; Korniss, G; Caraco, Thomas

2016-07-28

Limited dispersal distance generates spatial aggregation. Intraspecific interactions are then concentrated within clusters, and between-species interactions occur near cluster boundaries. Spread of a locally dispersing invader can become motion of an interface between the invading and resident species, and spatial competition will produce variation in the extent of invasive advance along the interface. Kinetic roughening theory offers a framework for quantifying the development of these fluctuations, which may structure the interface as a self-affine fractal, and so induce a series of temporal and spatial scaling relationships. For most clonal plants, advance should become spatially correlated along the interface, and width of the interface (where invader and resident compete directly) should increase as a power function of time. Once roughening equilibrates, interface width and the relative location of the most advanced invader should each scale with interface length. We tested these predictions by letting white clover (Trifolium repens) invade ryegrass (Lolium perenne). The spatial correlation of clover growth developed as anticipated by kinetic roughening theory, and both interface width and the most advanced invader's lead scaled with front length. However, the scaling exponents differed from those predicted by recent simulation studies, likely due to clover's growth morphology.

Spatial Competition: Roughening of an Experimental Interface

PubMed Central

Allstadt, Andrew J.; Newman, Jonathan A.; Walter, Jonathan A.; Korniss, G.; Caraco, Thomas

2016-01-01

Limited dispersal distance generates spatial aggregation. Intraspecific interactions are then concentrated within clusters, and between-species interactions occur near cluster boundaries. Spread of a locally dispersing invader can become motion of an interface between the invading and resident species, and spatial competition will produce variation in the extent of invasive advance along the interface. Kinetic roughening theory offers a framework for quantifying the development of these fluctuations, which may structure the interface as a self-affine fractal, and so induce a series of temporal and spatial scaling relationships. For most clonal plants, advance should become spatially correlated along the interface, and width of the interface (where invader and resident compete directly) should increase as a power function of time. Once roughening equilibrates, interface width and the relative location of the most advanced invader should each scale with interface length. We tested these predictions by letting white clover (Trifolium repens) invade ryegrass (Lolium perenne). The spatial correlation of clover growth developed as anticipated by kinetic roughening theory, and both interface width and the most advanced invader’s lead scaled with front length. However, the scaling exponents differed from those predicted by recent simulation studies, likely due to clover’s growth morphology. PMID:27465518

Surface and interface sciences of Li-ion batteries. -Research progress in electrode-electrolyte interface-

NASA Astrophysics Data System (ADS)

Minato, Taketoshi; Abe, Takeshi

2017-12-01

The application potential of Li-ion batteries is growing as demand increases in different fields at various stages in energy systems, in addition to their conventional role as power sources for portable devices. In particular, applications in electric vehicles and renewable energy storage are increasing for Li-ion batteries. For these applications, improvements in battery performance are necessary. The Li-ion battery produces and stores electric power from the electrochemical redox reactions between the electrode materials. The interface between the electrodes and electrolyte strongly affects the battery performance because the charge transfer causing the electrode redox reaction begins at this interface. Understanding of the surface structure, electronic structure, and chemical reactions at the electrode-electrolyte interface is necessary to improve battery performance. However, the interface is located between the electrode and electrolyte materials, hindering the experimental analysis of the interface; thus, the physical properties and chemical processes have remained poorly understood until recently. Investigations of the physical properties and chemical processes at the interface have been performed using advanced surface science techniques. In this review, current knowledge and future research prospects regarding the electrode-electrolyte interface are described for the further development of Li-ion batteries.

Neutron Source Facility Training Simulator Based on EPICS

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

Park, Young Soo; Wei, Thomas Y.; Vilim, Richard B.

A plant operator training simulator is developed for training the plant operators as well as for design verification of plant control system (PCS) and plant protection system (PPS) for the Kharkov Institute of Physics and Technology Neutron Source Facility. The simulator provides the operator interface for the whole plant including the sub-critical assembly coolant loop, target coolant loop, secondary coolant loop, and other facility systems. The operator interface is implemented based on Experimental Physics and Industrial Control System (EPICS), which is a comprehensive software development platform for distributed control systems. Since its development at Argonne National Laboratory, it has beenmore » widely adopted in the experimental physics community, e.g. for control of accelerator facilities. This work is the first implementation for a nuclear facility. The main parts of the operator interface are the plant control panel and plant protection panel. The development involved implementation of process variable database, sequence logic, and graphical user interface (GUI) for the PCS and PPS utilizing EPICS and related software tools, e.g. sequencer for sequence logic, and control system studio (CSS-BOY) for graphical use interface. For functional verification of the PCS and PPS, a plant model is interfaced, which is a physics-based model of the facility coolant loops implemented as a numerical computer code. The training simulator is tested and demonstrated its effectiveness in various plant operation sequences, e.g. start-up, shut-down, maintenance, and refueling. It was also tested for verification of the plant protection system under various trip conditions.« less

Interactions of anesthetics with the water-hexane interface. A molecular dynamics study

NASA Technical Reports Server (NTRS)

Chipot, C.; Wilson, M. A.; Pohorille, A.

1997-01-01

The free energy profiles characterizing the transfer of nine solutes across the liquid-vapor interfaces of water and hexane and across the water-hexane interface were calculated from molecular dynamics simulations. Among the solutes were n-butane and three of its halogenated derivatives, as well as three halogenated cyclobutanes. The two remaining molecules, dichlorodifluoromethane and 1,2-dichloroperfluoroethane, belong to series of halo-substituted methanes and ethanes, described in previous studies (J. Chem. Phys. 1996, 104, 3760; Chem. Phys. 1996, 204, 337). Each series of molecules contains structurally similar compounds that differ greatly in anesthetic potency. The accuracy of the simulations was tested by comparing the calculated and the experimental free energies of solvation of all nine compounds in water and in hexane. In addition. the calculated and the measured surface excess concentrations of n-butane at the water liquid-vapor interface were compared. In all cases, good agreement with experimental results was found. At the water-hexane interface, the free energy profiles for polar molecules exhibited significant interfacial minima, whereas the profiles for nonpolar molecules did not. The existence of these minima was interpreted in terms of a balance between the free energy contribution arising from solute-solvent interactions and the work to form a cavity that accommodates the solute. These two contributions change monotonically, but oppositely, across the interface. The interfacial solubilities of the solutes, obtained from the free energy profiles, correlate very well with their anesthetic potencies. This is the case even when the Meyer-Overton hypothesis, which predicts a correlation between anesthetic potency and solubility in oil, fails.

Hand-gesture-based sterile interface for the operating room using contextual cues for the navigation of radiological images

PubMed Central

Jacob, Mithun George; Wachs, Juan Pablo; Packer, Rebecca A

2013-01-01

This paper presents a method to improve the navigation and manipulation of radiological images through a sterile hand gesture recognition interface based on attentional contextual cues. Computer vision algorithms were developed to extract intention and attention cues from the surgeon's behavior and combine them with sensory data from a commodity depth camera. The developed interface was tested in a usability experiment to assess the effectiveness of the new interface. An image navigation and manipulation task was performed, and the gesture recognition accuracy, false positives and task completion times were computed to evaluate system performance. Experimental results show that gesture interaction and surgeon behavior analysis can be used to accurately navigate, manipulate and access MRI images, and therefore this modality could replace the use of keyboard and mice-based interfaces. PMID:23250787

Hand-gesture-based sterile interface for the operating room using contextual cues for the navigation of radiological images.

PubMed

Jacob, Mithun George; Wachs, Juan Pablo; Packer, Rebecca A

2013-06-01

This paper presents a method to improve the navigation and manipulation of radiological images through a sterile hand gesture recognition interface based on attentional contextual cues. Computer vision algorithms were developed to extract intention and attention cues from the surgeon's behavior and combine them with sensory data from a commodity depth camera. The developed interface was tested in a usability experiment to assess the effectiveness of the new interface. An image navigation and manipulation task was performed, and the gesture recognition accuracy, false positives and task completion times were computed to evaluate system performance. Experimental results show that gesture interaction and surgeon behavior analysis can be used to accurately navigate, manipulate and access MRI images, and therefore this modality could replace the use of keyboard and mice-based interfaces.

A Web 2.0 Interface to Ion Stopping Power and Other Physics Routines for High Energy Density Physics Applications

NASA Astrophysics Data System (ADS)

Stoltz, Peter; Veitzer, Seth

2008-04-01

We present a new Web 2.0-based interface to physics routines for High Energy Density Physics applications. These routines include models for ion stopping power, sputtering, secondary electron yields and energies, impact ionization cross sections, and atomic radiated power. The Web 2.0 interface allows users to easily explore the results of the models before using the routines within other codes or to analyze experimental results. We discuss how we used various Web 2.0 tools, including the Python 2.5, Django, and the Yahoo User Interface library. Finally, we demonstrate the interface by showing as an example the stopping power algorithms researchers are currently using within the Hydra code to analyze warm, dense matter experiments underway at the Neutralized Drift Compression Experiment facility at Lawrence Berkeley National Laboratory.

High-performance parallel interface to synchronous optical network gateway

DOEpatents

St. John, W.B.; DuBois, D.H.

1996-12-03

Disclosed is a system of sending and receiving gateways interconnects high speed data interfaces, e.g., HIPPI interfaces, through fiber optic links, e.g., a SONET network. An electronic stripe distributor distributes bytes of data from a first interface at the sending gateway onto parallel fiber optics of the fiber optic link to form transmitted data. An electronic stripe collector receives the transmitted data on the parallel fiber optics and reforms the data into a format effective for input to a second interface at the receiving gateway. Preferably, an error correcting syndrome is constructed at the sending gateway and sent with a data frame so that transmission errors can be detected and corrected in a real-time basis. Since the high speed data interface operates faster than any of the fiber optic links the transmission rate must be adapted to match the available number of fiber optic links so the sending and receiving gateways monitor the availability of fiber links and adjust the data throughput accordingly. In another aspect, the receiving gateway must have sufficient available buffer capacity to accept an incoming data frame. A credit-based flow control system provides for continuously updating the sending gateway on the available buffer capacity at the receiving gateway. 7 figs.

Role of large-scale slip in mode II fracture of bimaterial interface produced by diffusion bonding

NASA Astrophysics Data System (ADS)

Fox, M. R.; Ghosh, A. K.

2001-08-01

Bimaterial interfaces present in diffusion-bonded (and in-situ) composites are often not flat interfaces. The unevenness of the interface can result not only from interface reaction products but also from long-range waviness associated with the surfaces of the component phases bonded together. Experimental studies aimed at determining interface mechanical properties generally ignore the departure in the local stress due to waviness and assume a theoretically flat interface. Furthermore, the commonly used testing methods involving superimposed tension often renders the interface so extremely brittle that if microplastic effects were present it becomes impossible to perceive them. This article examines the role of waviness of the interface and microplastic effects on crack initiation. To do this, a test was selected that provides significant stability against crack growth by superimposing compressive stresses. Mode II interface fracture was studied for NiAl/Mo model laminates using a recently developed asymmetrically loaded shear (ALS) interface shear test. The ALS test may be viewed as opposite of the laminate bend test. In the bend test, shear at the interface is created via tension on one surface of the bend, while in the ALS test, shear is created by compression on one side of the interface relative to the other. Normal to the interface, near the crack tip, an initially compressive state is replaced by slight tension due to Poisson’s expansion of the unbonded part of the compressed beam.

Experiments of Transient Condensation Heat Transfer on the Heat Flux Senor

NASA Astrophysics Data System (ADS)

Wang, Xuwen; Liu, Qiusheng; Zhu, Zhiqiang; Chen, Xue

2015-09-01

The influence of transient heat transfer in different condensation condition was investigated experimentally in the present paper. Getting condensation heat and mass transfer regularity and characteristics in space can provide theoretical basis for thermodynamic device such as heat pipes, loop heat pipes and capillary pumped loops as well as other fluid management engineering designing. In order to study the condensation process in space, an experimental study has been carried out on the ground for space experiment. The results show that transit heat transfer coefficient of film condensation is related to the condensation film width, the flow condition near the two phase interface and the pressure of the vapor and non-condensable gas in chamber. On the ground, the condensation heat flux on vertical surface is higher than it on horizontal surface. The transit heat flux of film condensation is affected by the temperature of superheated vapor, the temperature of condensation surface and non-condensable gas pressure. Condensation heat flux with vapor forced convection is many times more than it with natural convection. All of heat flux for both vapor forced convection and natural convection condensation in limited chamber declines dramatically over time. The present experiment is preliminary work for our future space experiments of the condensation and heat transfer process onboard the Chinese Spacecraft "TZ-1" to be launched in 2016.

Hybrid motion sensing and experimental modal analysis using collocated smartphone camera and accelerometers

NASA Astrophysics Data System (ADS)

Ozer, Ekin; Feng, Dongming; Feng, Maria Q.

2017-10-01

State-of-the-art multisensory technologies and heterogeneous sensor networks propose a wide range of response measurement opportunities for structural health monitoring (SHM). Measuring and fusing different physical quantities in terms of structural vibrations can provide alternative acquisition methods and improve the quality of the modal testing results. In this study, a recently introduced SHM concept, SHM with smartphones, is focused to utilize multisensory smartphone features for a hybridized structural vibration response measurement framework. Based on vibration testing of a small-scale multistory laboratory model, displacement and acceleration responses are monitored using two different smartphone sensors, an embedded camera and accelerometer, respectively. Double-integration or differentiation among different measurement types is performed to combine multisensory measurements on a comparative basis. In addition, distributed sensor signals from collocated devices are processed for modal identification, and performance of smartphone-based sensing platforms are tested under different configuration scenarios and heterogeneity levels. The results of these tests show a novel and successful implementation of a hybrid motion sensing platform through multiple sensor type and device integration. Despite the heterogeneity of motion data obtained from different smartphone devices and technologies, it is shown that multisensory response measurements can be blended for experimental modal analysis. Getting benefit from the accessibility of smartphone technology, similar smartphone-based dynamic testing methodologies can provide innovative SHM solutions with mobile, programmable, and cost-free interfaces.

Applications of Quantum Chemistry to the Study of Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Jaffe, Richard L.

2005-01-01

For several years, scientists at NASA Ames have been studying the properties of carbon nanotubes using various experimental and computational methods. In this talk, I will compare different strategies for using quantum chemistry calculations to describe the electronic structure, deformation and chemical functionalization of single wall carbon nanotubes (SWNT) and the physisorption of small molecules on nanotube surfaces. The SWNT can be treated as an infinite (periodic) or finite length carbon cylinder or as a polycyclic aromatic hydrocarbon (PAH) molecule with an imposed curvature maintained by external constraints (as if it were cut out of the SWNT surface). Calculations are carried out using DFT and MP2 methods and a variety of atomic orbital basis sets from minimal (STO-3G) to valence triple zeta. The optimal approach is based on the particular SWNT property of interest. Examples to be discussed include: nanotube fluorination and other functionalization reactions; coating of nanotubes by water vapor and low-molecular weight organic molecules; and the nature of the interface between SWNT and liquids such as water and amines. In many cases, the quantum chemistry calculations are used to parameterize or validate force fields for molecular dynamics simulations. The results of these calculations have helped explain experimental data and contributed to the design of novel materials and sensors based on carbon nanotubes. Some of this research is described in the following papers:

A continuously growing web-based interface structure databank

NASA Astrophysics Data System (ADS)

Erwin, N. A.; Wang, E. I.; Osysko, A.; Warner, D. H.

2012-07-01

The macroscopic properties of materials can be significantly influenced by the presence of microscopic interfaces. The complexity of these interfaces coupled with the vast configurational space in which they reside has been a long-standing obstacle to the advancement of true bottom-up material behavior predictions. In this vein, atomistic simulations have proven to be a valuable tool for investigating interface behavior. However, before atomistic simulations can be utilized to model interface behavior, meaningful interface atomic structures must be generated. The generation of structures has historically been carried out disjointly by individual research groups, and thus, has constituted an overlap in effort across the broad research community. To address this overlap and to lower the barrier for new researchers to explore interface modeling, we introduce a web-based interface structure databank (www.isdb.cee.cornell.edu) where users can search, download and share interface structures. The databank is intended to grow via two mechanisms: (1) interface structure donations from individual research groups and (2) an automated structure generation algorithm which continuously creates equilibrium interface structures. In this paper, we describe the databank, the automated interface generation algorithm, and compare a subset of the autonomously generated structures to structures currently available in the literature. To date, the automated generation algorithm has been directed toward aluminum grain boundary structures, which can be compared with experimentally measured population densities of aluminum polycrystals.

Optimisation of the conditions for stripping voltammetric analysis at liquid-liquid interfaces supported at micropore arrays: a computational simulation.

PubMed

Strutwolf, Jörg; Arrigan, Damien W M

2010-10-01

Micropore membranes have been used to form arrays of microinterfaces between immiscible electrolyte solutions (µITIES) as a basis for the sensing of non-redox-active ions. Implementation of stripping voltammetry as a sensing method at these arrays of µITIES was applied recently to detect drugs and biomolecules at low concentrations. The present study uses computational simulation to investigate the optimum conditions for stripping voltammetric sensing at the µITIES array. In this scenario, the diffusion of ions in both the aqueous and the organic phases contributes to the sensing response. The influence of the preconcentration time, the micropore aspect ratio, the location of the microinterface within the pore, the ratio of the diffusion coefficients of the analyte ion in the organic and aqueous phases, and the pore wall angle were investigated. The simulations reveal that the accessibility of the microinterfaces during the preconcentration period should not be hampered by a recessed interface and that diffusional transport in the phase where the analyte ions are preconcentrated should be minimized. This will ensure that the ions are accumulated within the micropores close to the interface and thus be readily available for back transfer during the stripping process. On the basis of the results, an optimal combination of the examined parameters is proposed, which together improve the stripping voltammetric signal and provide an improvement in the detection limit.

Tactile event-related potentials in amyotrophic lateral sclerosis (ALS): Implications for brain-computer interface.

PubMed

Silvoni, S; Konicar, L; Prats-Sedano, M A; Garcia-Cossio, E; Genna, C; Volpato, C; Cavinato, M; Paggiaro, A; Veser, S; De Massari, D; Birbaumer, N

2016-01-01

We investigated neurophysiological brain responses elicited by a tactile event-related potential paradigm in a sample of ALS patients. Underlying cognitive processes and neurophysiological signatures for brain-computer interface (BCI) are addressed. We stimulated the palm of the hand in a group of fourteen ALS patients and a control group of ten healthy participants and recorded electroencephalographic signals in eyes-closed condition. Target and non-target brain responses were analyzed and classified offline. Classification errors served as the basis for neurophysiological brain response sub-grouping. A combined behavioral and quantitative neurophysiological analysis of sub-grouped data showed neither significant between-group differences, nor significant correlations between classification performance and the ALS patients' clinical state. Taking sequential effects of stimuli presentation into account, analyses revealed mean classification errors of 19.4% and 24.3% in healthy participants and ALS patients respectively. Neurophysiological correlates of tactile stimuli presentation are not altered by ALS. Tactile event-related potentials can be used to monitor attention level and task performance in ALS and may constitute a viable basis for future BCIs. Implications for brain-computer interface implementation of the proposed method for patients in critical conditions, such as the late stage of ALS and the (completely) locked-in state, are discussed. Copyright © 2015 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

Factors in Human-Computer Interface Design (A Pilot Study).

DTIC Science & Technology

1994-12-01

This study used a pretest - posttest control group experimental design to test the effect of consistency on speed, retention, and user satisfaction. Four...analysis. The overall methodology was a pretest - posttest control group experimental design using different prototypes to test the effects of...methodology used for this study was a pretest - posttest control group experimental design using different prototypes to test for features of the human

Real-time Experiment Interface for Biological Control Applications

PubMed Central

Lin, Risa J.; Bettencourt, Jonathan; White, John A.; Christini, David J.; Butera, Robert J.

2013-01-01

The Real-time Experiment Interface (RTXI) is a fast and versatile real-time biological experimentation system based on Real-Time Linux. RTXI is open source and free, can be used with an extensive range of experimentation hardware, and can be run on Linux or Windows computers (when using the Live CD). RTXI is currently used extensively for two experiment types: dynamic patch clamp and closed-loop stimulation pattern control in neural and cardiac single cell electrophysiology. RTXI includes standard plug-ins for implementing commonly used electrophysiology protocols with synchronized stimulation, event detection, and online analysis. These and other user-contributed plug-ins can be found on the website (http://www.rtxi.org). PMID:21096883

Water and energy balances in the soil-plant atmosphere continuum

USDA-ARS?s Scientific Manuscript database

Energy fluxes at soil-atmosphere and plant-atmosphere interfaces can be summed to zero because the surfaces have no capacity for energy storage. The resulting energy balance equations may be written in terms of physical descriptions of these fluxes; and have been the basis for problem casting and so...

Just blowing smoke? Residents’ social construction of communication about wildfire

Treesearch

Travis Paveglio; Matthew S. Carroll; James D. Absher; Todd Norton

2009-01-01

This study uses social constructionism as a basis for understanding the effectiveness of communication about wildfire risk between agency officials and wildland-urban interface (WUI) residents. Risk communication literature demonstrates a welldocumented difference in the way land managers and stakeholders conceptualize risk. This is especially true of fire because...

Exploring the Science--Society Interface with a Bridging Research Course

ERIC Educational Resources Information Center

Boltax, Ariana L.; Kosinski-Collins, Melissa S.; Pontrello, Jason K.

2016-01-01

This article describes the development of a model for an optional, research-based course that bridges two existing, traditionally separate, introductory science courses. This research course provided freedom for students to design and implement new experiments on the basis of technical foundations built from enrollment in separate introductory…

Coercion and Compositionality

ERIC Educational Resources Information Center

Baggio, Giosue; Choma, Travis; van Lambalgen, Michiel; Hagoort, Peter

2010-01-01

Research in psycholinguistics and in the cognitive neuroscience of language has suggested that semantic and syntactic processing are associated with different neurophysiologic correlates, such as the N400 and the P600 in the ERPs. However, only a handful of studies have investigated the neural basis of the syntax-semantics interface, and even…

Alleviating Comprehension Problems in Movies. Working Paper.

ERIC Educational Resources Information Center

Tatsuki, Donna

This paper describes the various barriers to comprehension that learners may encounter when viewing feature films in a second language. Two clusters of interfacing factors that may contribute to comprehension hot spots emerged from a quantitative analysis of problems noted in student logbooks. One cluster had a strong acoustic basis, whereas the…

On the generation and evolution of internal gravity waves

NASA Technical Reports Server (NTRS)

Lansing, F. S.; Maxworthy, T.

1984-01-01

The tidal generation and evolution of internal gravity waves is investigated experimentally and theoretically using a two-dimensional two-layer model. Time-dependent flow is created by moving a profile of maximum submerged depth 7.7 cm through a total stroke of 29 cm in water above a freon-kerosene mixture in an 8.6-m-long 30-cm-deep 20-cm-wide transparent channel, and the deformation of the fluid interface is recorded photographically. A theoretical model of the interface as a set of discrete vortices is constructed numerically; the rigid structures are represented by a source distribution; governing equations in Lagrangian form are obtained; and two integrodifferential equations relating baroclinic vorticity generation and source-density generation are derived. The experimental and computed results are shown in photographs and graphs, respectively, and found to be in good agreement at small Froude numbers. The reasons for small discrepancies in the position of the maximum interface displacement at large Froude numbers are examined.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism.

PubMed

Liu, Donghuan; Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model.

Time-Resolved In Situ Measurements During Rapid Alloy Solidification: Experimental Insight for Additive Manufacturing

NASA Astrophysics Data System (ADS)

McKeown, Joseph T.; Zweiacker, Kai; Liu, Can; Coughlin, Daniel R.; Clarke, Amy J.; Baldwin, J. Kevin; Gibbs, John W.; Roehling, John D.; Imhoff, Seth D.; Gibbs, Paul J.; Tourret, Damien; Wiezorek, Jörg M. K.; Campbell, Geoffrey H.

2016-03-01

Additive manufacturing (AM) of metals and alloys is becoming a pervasive technology in both research and industrial environments, though significant challenges remain before widespread implementation of AM can be realized. In situ investigations of rapid alloy solidification with high spatial and temporal resolutions can provide unique experimental insight into microstructure evolution and kinetics that are relevant for AM processing. Hypoeutectic thin-film Al-Cu and Al-Si alloys were investigated using dynamic transmission electron microscopy to monitor pulsed-laser-induced rapid solidification across microsecond timescales. Solid-liquid interface velocities measured from time-resolved images revealed accelerating solidification fronts in both alloys. The observed microstructure evolution, solidification product, and presence of a morphological instability at the solid-liquid interface in the Al-4 at.%Cu alloy are related to the measured interface velocities and small differences in composition that affect the thermophysical properties of the alloys. These time-resolved in situ measurements can inform and validate predictive modeling efforts for AM.

Time-Resolved In Situ Measurements During Rapid Alloy Solidification: Experimental Insight for Additive Manufacturing

DOE PAGES

McKeown, Joseph T.; Zweiacker, Kai; Liu, Can; ...

2016-01-27

In research and industrial environments, additive manufacturing (AM) of metals and alloys is becoming a pervasive technology, though significant challenges remain before widespread implementation of AM can be realized. In situ investigations of rapid alloy solidification with high spatial and temporal resolutions can provide unique experimental insight into microstructure evolution and kinetics that are relevant for AM processing. Hypoeutectic thin-film Al–Cu and Al–Si alloys were investigated using dynamic transmission electron microscopy to monitor pulsed-laser-induced rapid solidification across microsecond timescales. Solid–liquid interface velocities measured from time-resolved images revealed accelerating solidification fronts in both alloys. We observed microstructure evolution, solidification product, andmore » presence of a morphological instability at the solid–liquid interface in the Al–4 at.%Cu alloy are related to the measured interface velocities and small differences in composition that affect the thermophysical properties of the alloys. These time-resolved in situ measurements can inform and validate predictive modeling efforts for AM.« less

Exploring parameter space effects on structure-property relationships of surfactants at liquid-liquid interfaces.

PubMed

Emborsky, Christopher P; Cox, Kenneth R; Chapman, Walter G

2011-08-28

The ubiquitous use of surfactants in commercial and industrial applications has led to many experimental, theoretical, and simulation based studies. These efforts seek to provide a molecular level understanding of the effects on structuring behavior and the corresponding impacts on observable properties (e.g., interfacial tension). With such physical detail, targeted system design can be improved over typical techniques of observational trends and phenomenological correlations by taking advantage of predictive system response. This research provides a systematic study of part of the broad parameter space effects on equilibrium microstructure and interfacial properties of amphiphiles at a liquid-liquid interface using the interfacial statistical associating fluid theory density functional theory as a molecular model for the system from the bulk to the interface. Insights into the molecular level physics and thermodynamics governing the system behavior are discussed as they relate to both predictions qualitatively consistent with experimental observations and extensions beyond currently available studies. © 2011 American Institute of Physics

Unlocking the secrets to protein–protein interface drug targets using structural mass spectrometry techniques

PubMed Central

Dailing, Angela; Luchini, Alessandra; Liotta, Lance

2016-01-01

Protein–protein interactions (PPIs) drive all biologic systems at the subcellular and extracellular level. Changes in the specificity and affinity of these interactions can lead to cellular malfunctions and disease. Consequently, the binding interfaces between interacting protein partners are important drug targets for the next generation of therapies that block such interactions. Unfortunately, protein–protein contact points have proven to be very difficult pharmacological targets because they are hidden within complex 3D interfaces. For the vast majority of characterized binary PPIs, the specific amino acid sequence of their close contact regions remains unknown. There has been an important need for an experimental technology that can rapidly reveal the functionally important contact points of native protein complexes in solution. In this review, experimental techniques employing mass spectrometry to explore protein interaction binding sites are discussed. Hydrogen–deuterium exchange, hydroxyl radical footprinting, crosslinking and the newest technology protein painting, are compared and contrasted. PMID:26400464

Electron scattering at interfaces in nano-scale vertical interconnects: A combined experimental and ab initio study

NASA Astrophysics Data System (ADS)

Lanzillo, Nicholas A.; Restrepo, Oscar D.; Bhosale, Prasad S.; Cruz-Silva, Eduardo; Yang, Chih-Chao; Youp Kim, Byoung; Spooner, Terry; Standaert, Theodorus; Child, Craig; Bonilla, Griselda; Murali, Kota V. R. M.

2018-04-01

We present a combined theoretical and experimental study on the electron transport characteristics across several representative interface structures found in back-end-of-line interconnect stacks for advanced semiconductor manufacturing: Cu/Ta(N)/Co/Cu and Cu/Ta(N)/Ru/Cu. In particular, we evaluate the impact of replacing a thin TaN barrier with Ta while considering both Co and Ru as wetting layers. Both theory and experiment indicate a pronounced reduction in vertical resistance when replacing TaN with Ta, regardless of whether a Co or Ru wetting layer is used. This indicates that a significant portion of the total vertical resistance is determined by electron scattering at the Cu/Ta(N) interface. The electronic structure of these nano-sized interconnects is analyzed in terms of the atom-resolved projected density of states and k-resolved transmission spectra at the Fermi level. This work further develops a fundamental understanding of electron transport and material characteristics in nano-sized interconnects.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism

PubMed Central

Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model. PMID:29547651

Investigation of thermocapillary convection in a three-liquid-layer system

NASA Astrophysics Data System (ADS)

Géoris, Ph.; Hennenberg, M.; Lebon, G.; Legros, J. C.

1999-06-01

This paper presents the first experimental results on Marangoni Bénard instability in a symmetrical three-layer system. A pure thermocapillary phenomenon has been observed by performing the experiment in a microgravity environment where buoyancy forces can be neglected. This configuration enables the hydrodynamic stability of two identical liquid liquid interfaces subjected to a normal gradient of temperature to be studied. The flow is driven by one interface only and obeys the criterion based on the heat diffusivity ratio proposed by Scriven & Sternling (1959) and Smith (1966). The measured critical temperature difference for the onset of convection is compared to the value obtained from two-dimensional numerical simulations. The results of the simulations are in reasonable agreement with the velocimetry and the thermal experimental data for moderate supercriticality. Numerically and experimentally, the convective pattern exhibits a transition between different convective regimes for similar temperature gradients. Their common detailed features are discussed.

Coupling of metals and biominerals: characterizing the interface between ferromagnetic shape-memory alloys and hydroxyapatite.

PubMed

Allenstein, Uta; Selle, Susanne; Tadsen, Meike; Patzig, Christian; Höche, Thomas; Zink, Mareike; Mayr, Stefan G

2015-07-22

Durable, mechanically robust osseointegration of metal implants poses one of the largest challenges in contemporary orthopedics. The application of biomimetic hydroxyapatite (HAp) coatings as mediators for enhanced mechanical coupling to natural bone constitutes a promising approach. Motivated by recent advances in the field of smart metals that might open the venue for alternate therapeutic concepts, we explore their mechanical coupling to sputter-deposited HAp layers in a combined experimental-theoretical study. While experimental delamination tests and comprehensive structural characterization, including high-resolution transmission electron microscopy, are utilized to establish structure-property relationships, density functional theory based total energy calculations unravel the underlying physics and chemistry of bonding and confirm the experimental findings. Experiments and modeling indicate that sputter-deposited HAp coatings are strongly adherent to the exemplary ferromagnetic shape-memory alloys, Ni-Mn-Ga and Fe-Pd, with delamination stresses and interface bonding strength exceeding the physiological scales by orders of magnitude.

Strength and durability of concrete: Effects of cement paste-aggregate interfaces. Part 2: Significance of transition zones on physical and mechanical properties of portland cement mortar; Final report

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

Lee, T.F.F.; Cohen, M.D.; Chen, W.F.

1998-08-01

The research was based on a two-part basic research investigation studying the effects of cement paste-aggregate interfaces (or interfacial transition zones-ITZ) on strength and durability of concrete. Part 1 dealt with the theoretical study and Part 2 dealt with the experimental.

Strength and durability of concrete: Effects of cement paste-aggregate interfaces. Part 1: Theoretical study on influence of interfacial transition zone on properties of concrete materials; Final report

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

Zhang, Y.; Chen, W.F.

1998-08-01

This research was based on a two-part basic research investigation studying the effects of cement paste-aggregate interfaces (or interfacial transition zones-ITZ) on strength and durability of concrete. Part 1 dealt with the theoretical study and Part 2 dealt with the experimental.

Dose Enhancement near Metal Interfaces in Synthetic Diamond Based X-ray Dosimeters

NASA Astrophysics Data System (ADS)

Alamoudi, Dalal

Diamond is an attractive material for medical dosimetry due to its radiation hardness, fast response, chemical resilience, small sensitive volume, high spatial resolution, near-tissue equivalence, and energy and dose rate independence. These properties make diamond a promising material for medical dosimetry compared to other semiconductor detector materials and wider radiation detection applications. This study is focused on one of the important factors to consider in the radiation detector; the influence of dose enhancement on the photocurrent performance at metallic interfaces in synthetic diamond radiation dosimeters with carbon based electrodes as a function of bias voltages. Monte Carlo (MC) simulations with BEAMnrc code were carried out to simulate the dose enhancement factor (DEF) and compared against the equivalent photocurrent ratio from experimental investigation. MC simulations show that the sensitive region for the absorbed dose distribution covers a few micrometers distances from the interface. Experimentally, two single crystal (SC) and one polycrystalline (PC) samples with carbon based electrodes were used. The samples were each mounted inside a tissue equivalent encapsulation design in order to minimize fluence perturbations. Copper, Gold and Lead have been investigated experimentally as generators of photoelectrons using 50 kVp and 100 kVp X-rays relevant for medical dosimetry. The results show enhancement in the detectors' photocurrent performance when different metals are butted up to the diamond detector. The variation in the photocurrent ratio measurements depends on the type of diamond samples, their electrode fabrication and the applied bias voltages indicating that the dose enhancement from diamond-metal interface modifies the electronic performance of the detector.

Progress on the Surface Nanobubble Story: What is in the bubble? Why does it exist?

PubMed

Peng, Hong; Birkett, Greg R; Nguyen, Anh V

2015-08-01

Interfaces between aqueous solutions and hydrophobic solid surfaces are important in various areas of science and technology. Many researchers have found that forces between hydrophobic surfaces in aqueous solution are significantly different from the classical DLVO theory. Long-range attractive forces (non-DLVO forces) are thought to be affected by nanoscopic gaseous domains at the interfaces. This is a review of the latest research on nanobubbles at hydrophobic surfaces from experimental and simulation studies. The review focusses on non-intrusive optical view of surface nanobubbles and gas enrichment on solid surfaces by imaging and force mapping. By use of these recent experimental data in conjunction with molecular simulation work, all major theories on surface nanobubble formation and stability are critically reviewed. Even though the current body of research cannot comprehensively explain all properties of surface nanobubbles observed, the fundamental understanding has been significantly improved. Line tension has been shown to be incapable of explaining the contact angle of nanobubbles. Dense gas layer theory provides a new explanation on both large contact angle and long-time stability. The high density of gas in these domains may significantly affect the gas-water interface which is in line with some observation made on bulk nanobubbles. Along this line of inquiry, experimental and simulation effort should be focussed on measuring the density within surface nanobubbles and the properties of the gas water interface which may be the key to explaining the stability of these nanobubbles. Copyright © 2014 Elsevier B.V. All rights reserved.

Strain-induced phase and oxygen-vacancy stability in ionic interfaces from first-principles calculations

DOE PAGES

Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; ...

2014-12-03

Understanding interfacial chemistry is becoming crucial in materials design for heterointerfaces. Using density functional theory, we elucidate the effect of strained interfaces on phase and oxygen-vacancy stability for CeO2 | ZrO2, ThO2 | ZrO2 and CeO2 | ThO2 interfaces. The calculations show that ZrO2 transforms from cubic fluorite to the orthorhombic columbite under tensile strain providing evidence of a previous experimental speculation of an unrecognized ZrO2 phase. We also show that oxygen vacancies could be preferably stabilized on either side of the interface by manipulating strain. We predict that they are stable in tensile-strain, and unstable in compressivestrained materials.

Ferromagnetic, folded electrode composite as a soft interface to the skin for long-term electrophysiological recording.

PubMed

Jang, Kyung-In; Jung, Han Na; Lee, Jung Woo; Xu, Sheng; Liu, Yu Hao; Ma, Yinji; Jeong, Jae-Woong; Song, Young Min; Kim, Jeonghyun; Kim, Bong Hun; Banks, Anthony; Kwak, Jean Won; Yang, Yiyuan; Shi, Dawei; Wei, Zijun; Feng, Xue; Paik, Ungyu; Huang, Yonggang; Ghaffari, Roozbeh; Rogers, John A

2016-10-25

This paper introduces a class of ferromagnetic, folded, soft composite material for skin-interfaced electrodes with releasable interfaces to stretchable, wireless electronic measurement systems. These electrodes establish intimate, adhesive contacts to the skin, in dimensionally stable formats compatible with multiple days of continuous operation, with several key advantages over conventional hydrogel based alternatives. The reported studies focus on aspects ranging from ferromagnetic and mechanical behavior of the materials systems, to electrical properties associated with their skin interface, to system-level integration for advanced electrophysiological monitoring applications. The work combines experimental measurement and theoretical modeling to establish the key design considerations. These concepts have potential uses across a diverse set of skin-integrated electronic technologies.

Second harmonic generation study of malachite green adsorption at the interface between air and an electrolyte solution: observing the effect of excess electrical charge density at the interface.

PubMed

Song, Jinsuk; Kim, Mahn Won

2010-03-11

Understanding the differential adsorption of ions at the interface of an electrolyte solution is very important because it is closely related, not only to the fundamental aspects of biological systems, but also to many industrial applications. We have measured the excess interfacial negative charge density at air-electrolyte solution interfaces by using resonant second harmonic generation of oppositely charged probe molecules. The excess charge density increased with the square root of the bulk electrolyte concentration. A new adsorption model that includes the electrostatic interaction between adsorbed molecules is proposed to explain the measured adsorption isotherm, and it is in good agreement with the experimental results.

Free-electron gas at charged domain walls in insulating BaTiO3

PubMed Central

Sluka, Tomas; Tagantsev, Alexander K.; Bednyakov, Petr; Setter, Nava

2013-01-01

Hetero interfaces between metal-oxides display pronounced phenomena such as semiconductor-metal transitions, magnetoresistance, the quantum hall effect and superconductivity. Similar effects at compositionally homogeneous interfaces including ferroic domain walls are expected. Unlike hetero interfaces, domain walls can be created, displaced, annihilated and recreated inside a functioning device. Theory predicts the existence of 'strongly' charged domain walls that break polarization continuity, but are stable and conduct steadily through a quasi-two-dimensional electron gas. Here we show this phenomenon experimentally in charged domain walls of the prototypical ferroelectric BaTiO3. Their steady metallic-type conductivity, 109 times that of the parent matrix, evidence the presence of stable degenerate electron gas, thus adding mobility to functional interfaces. PMID:23651996

Dynamic equilibrium under vibrations of H2 liquid-vapor interface at various gravity levels

NASA Astrophysics Data System (ADS)

Gandikota, G.; Chatain, D.; Lyubimova, T.; Beysens, D.

2014-06-01

Horizontal vibration applied to the support of a simple pendulum can deviate from the equilibrium position of the pendulum to a nonvertical position. A similar phenomenon is expected when a liquid-vapor interface is subjected to strong horizontal vibration. Beyond a threshold value of vibrational velocity the interface should attain an equilibrium position at an angle to the initial horizontal position. In the present paper experimental investigation of this phenomenon is carried out in a magnetic levitation device to study the effect of the vibration parameters, gravity acceleration, and the liquid-vapor density on the interface position. The results compare well with the theoretical expression derived by Wolf [G. H. Wolf, Z. Phys. B 227, 291 (1969), 10.1007/BF01397662].

Human-Computer Interface Controlled by Horizontal Directional Eye Movements and Voluntary Blinks Using AC EOG Signals

NASA Astrophysics Data System (ADS)

Kajiwara, Yusuke; Murata, Hiroaki; Kimura, Haruhiko; Abe, Koji

As a communication support tool for cases of amyotrophic lateral sclerosis (ALS), researches on eye gaze human-computer interfaces have been active. However, since voluntary and involuntary eye movements cannot be distinguished in the interfaces, their performance is still not sufficient for practical use. This paper presents a high performance human-computer interface system which unites high quality recognitions of horizontal directional eye movements and voluntary blinks. The experimental results have shown that the number of incorrect inputs is decreased by 35.1% in an existing system which equips recognitions of horizontal and vertical directional eye movements in addition to voluntary blinks and character inputs are speeded up by 17.4% from the existing system.

A microstructural model of motion of macro-twin interfaces in Ni-Mn-Ga 10 M martensite

NASA Astrophysics Data System (ADS)

Seiner, Hanuš; Straka, Ladislav; Heczko, Oleg

2014-03-01

We present a continuum-based model of microstructures forming at the macro-twin interfaces in thermoelastic martensites and apply this model to highly mobile interfaces in 10 M modulated Ni-Mn-Ga martensite. The model is applied at three distinct spatial scales observed in the experiment: meso-scale (modulation twinning), micro-scale (compound a-b lamination), and nano-scale (nanotwining in the concept of adaptive martensite). We show that two mobile interfaces (Type I and Type II macro-twins) have different micromorphologies at all considered spatial scales, which can directly explain their different twinning stress observed in experiments. The results of the model are discussed with respect to various experimental observations at all three considered spatial scales.

Self-organized pattern formation at organic-inorganic interfaces during deposition: Experiment versus modeling

NASA Astrophysics Data System (ADS)

Szillat, F.; Mayr, S. G.

2011-09-01

Self-organized pattern formation during physical vapor deposition of organic materials onto rough inorganic substrates is characterized by a complex morphological evolution as a function of film thickness. We employ a combined experimental-theoretical study using atomic force microscopy and numerically solved continuum rate equations to address morphological evolution in the model system: poly(bisphenol A carbonate) on polycrystalline Cu. As the key ingredients for pattern formation, (i) curvature and interface potential driven surface diffusion, (ii) deposition noise, and (iii) interface boundary effects are identified. Good agreement of experiments and theory, fitting only the Hamaker constant and diffusivity within narrow physical parameter windows, corroborates the underlying physics and paves the way for computer-assisted interface engineering.

Thermodynamics of surface defects at the aspirin/water interface

NASA Astrophysics Data System (ADS)

Schneider, Julian; Zheng, Chen; Reuter, Karsten

2014-09-01

We present a simulation scheme to calculate defect formation free energies at a molecular crystal/water interface based on force-field molecular dynamics simulations. To this end, we adopt and modify existing approaches to calculate binding free energies of biological ligand/receptor complexes to be applicable to common surface defects, such as step edges and kink sites. We obtain statistically accurate and reliable free energy values for the aspirin/water interface, which can be applied to estimate the distribution of defects using well-established thermodynamic relations. As a show case we calculate the free energy upon dissolving molecules from kink sites at the interface. This free energy can be related to the solubility concentration and we obtain solubility values in excellent agreement with experimental results.

Engineering platform and experimental protocol for design and evaluation of a neurally-controlled powered transfemoral prosthesis.

PubMed

Zhang, Fan; Liu, Ming; Harper, Stephen; Lee, Michael; Huang, He

2014-07-22

To enable intuitive operation of powered artificial legs, an interface between user and prosthesis that can recognize the user's movement intent is desired. A novel neural-machine interface (NMI) based on neuromuscular-mechanical fusion developed in our previous study has demonstrated a great potential to accurately identify the intended movement of transfemoral amputees. However, this interface has not yet been integrated with a powered prosthetic leg for true neural control. This study aimed to report (1) a flexible platform to implement and optimize neural control of powered lower limb prosthesis and (2) an experimental setup and protocol to evaluate neural prosthesis control on patients with lower limb amputations. First a platform based on a PC and a visual programming environment were developed to implement the prosthesis control algorithms, including NMI training algorithm, NMI online testing algorithm, and intrinsic control algorithm. To demonstrate the function of this platform, in this study the NMI based on neuromuscular-mechanical fusion was hierarchically integrated with intrinsic control of a prototypical transfemoral prosthesis. One patient with a unilateral transfemoral amputation was recruited to evaluate our implemented neural controller when performing activities, such as standing, level-ground walking, ramp ascent, and ramp descent continuously in the laboratory. A novel experimental setup and protocol were developed in order to test the new prosthesis control safely and efficiently. The presented proof-of-concept platform and experimental setup and protocol could aid the future development and application of neurally-controlled powered artificial legs.

A new weak Galerkin finite element method for elliptic interface problems

DOE PAGES

Mu, Lin; Wang, Junping; Ye, Xiu; ...

2016-08-26

We introduce and analyze a new weak Galerkin (WG) finite element method in this paper for solving second order elliptic equations with discontinuous coefficients and interfaces. Comparing with the existing WG algorithm for solving the same type problems, the present WG method has a simpler variational formulation and fewer unknowns. Moreover, the new WG algorithm allows the use of finite element partitions consisting of general polytopal meshes and can be easily generalized to high orders. Optimal order error estimates in both H1 and L2 norms are established for the present WG finite element solutions. We conducted extensive numerical experiments inmore » order to examine the accuracy, flexibility, and robustness of the proposed WG interface approach. In solving regular elliptic interface problems, high order convergences are numerically confirmed by using piecewise polynomial basis functions of high degrees. Moreover, the WG method is shown to be able to accommodate very complicated interfaces, due to its flexibility in choosing finite element partitions. Finally, in dealing with challenging problems with low regularities, the piecewise linear WG method is capable of delivering a second order of accuracy in L∞ norm for both C1 and H2 continuous solutions.« less

A new weak Galerkin finite element method for elliptic interface problems

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

Mu, Lin; Wang, Junping; Ye, Xiu

We introduce and analyze a new weak Galerkin (WG) finite element method in this paper for solving second order elliptic equations with discontinuous coefficients and interfaces. Comparing with the existing WG algorithm for solving the same type problems, the present WG method has a simpler variational formulation and fewer unknowns. Moreover, the new WG algorithm allows the use of finite element partitions consisting of general polytopal meshes and can be easily generalized to high orders. Optimal order error estimates in both H1 and L2 norms are established for the present WG finite element solutions. We conducted extensive numerical experiments inmore » order to examine the accuracy, flexibility, and robustness of the proposed WG interface approach. In solving regular elliptic interface problems, high order convergences are numerically confirmed by using piecewise polynomial basis functions of high degrees. Moreover, the WG method is shown to be able to accommodate very complicated interfaces, due to its flexibility in choosing finite element partitions. Finally, in dealing with challenging problems with low regularities, the piecewise linear WG method is capable of delivering a second order of accuracy in L∞ norm for both C1 and H2 continuous solutions.« less

Photoelectron spectroscopy study of the electronic structures at CoPc/Bi(111) interface

NASA Astrophysics Data System (ADS)

Sun, Haoliang; Liang, Zhaofeng; Shen, Kongchao; Hu, Jinbang; Ji, Gengwu; Li, Zheshen; Li, Haiyang; Zhu, Zhiyuan; Li, Jiong; Gao, Xingyu; Han, Huang; Jiang, Zheng; Song, Fei

2017-07-01

Self-assembly of functional molecules on solid substrate has been recognized as an appealing approach for the fabrication of diverse nanostructures for nanoelectronics. Herein, we investigate the growth of cobalt phthalocyanine (CoPc) on a Bi(111) surface with focus on the interface electronic structures utilizing photoelectron spectroscopy. While charge transfer from bismuth substrate to the molecule results in the emergence of an interface component in the Co 3p core level at lower binding energy, core-levels associated to the molecular ligand (C 1s and N 1s) are less influenced by the adsorption. In addition, density functional theory (DFT) calculations also support the empirical inference that the molecule-substrate interaction mainly involves the out-of-plane empty Co 3d orbital and bismuth states. Finally, valence band spectra demonstrate the molecule-substrate interaction is induced by interface charge transfer, agreeing well with core level measurements. Charge transfer is shown to be mainly from the underlying bismuth substrate to the empty states located at the central Co atom in the CoPc molecules. This report may provide a fundamental basis to the on-surface engineering of interfaces for molecular devices and spintronics.

Anomalous behavior in the third harmonic generation z response through dispersion induced shape changes and matching χ(3)

NASA Astrophysics Data System (ADS)

Pillai, Rajesh S.; Brakenhoff, G. J.; Müller, M.

2006-09-01

The third harmonic generation (THG) axial response in the vicinity of an interface formed by two isotropic materials of normal dispersion is typically single peaked, with the maximum intensity at the interface position. Here it is shown experimentally that this THG z response may show anomalous behavior—being double peaked with a dip coinciding with the interface position—when the THG contributions from both materials are of similar magnitude. The observed anomalous behavior is explained, using paraxial Gaussian theory, by considering dispersion induced shape changes in the THG z response.

The IVTANTHERMO-Online database for thermodynamic properties of individual substances with web interface

NASA Astrophysics Data System (ADS)

Belov, G. V.; Dyachkov, S. A.; Levashov, P. R.; Lomonosov, I. V.; Minakov, D. V.; Morozov, I. V.; Sineva, M. A.; Smirnov, V. N.

2018-01-01

The database structure, main features and user interface of an IVTANTHERMO-Online system are reviewed. This system continues the series of the IVTANTHERMO packages developed in JIHT RAS. It includes the database for thermodynamic properties of individual substances and related software for analysis of experimental results, data fitting, calculation and estimation of thermodynamical functions and thermochemistry quantities. In contrast to the previous IVTANTHERMO versions it has a new extensible database design, the client-server architecture, a user-friendly web interface with a number of new features for online and offline data processing.

The energy level alignment at metal–molecule interfaces using Wannier–Koopmans method

DOE PAGES

Ma, Jie; Liu, Zhen-Fei; Neaton, Jeffrey B.; ...

2016-06-30

We apply a recently developed Wannier-Koopmans method (WKM), based on density functional theory (DFT), to calculate the electronic energy level alignment at an interface between a molecule and metal substrate. We consider two systems: benzenediamine on Au (111), and a bipyridine-Au molecular junction. The WKM calculated level alignment agrees well with the experimental measurements where available, as well as previous GW and DFT + Σ results. These results suggest that the WKM is a general approach that can be used to correct DFT eigenvalue errors, not only in bulk semiconductors and isolated molecules, but also in hybrid interfaces.

Expansion tube test time predictions

NASA Technical Reports Server (NTRS)

Gourlay, Christopher M.

1988-01-01

The interaction of an interface between two gases and strong expansion is investigated and the effect on flow in an expansion tube is examined. Two mechanisms for the unsteady Pitot-pressure fluctuations found in the test section of an expansion tube are proposed. The first mechanism depends on the Rayleigh-Taylor instability of the driver-test gas interface in the presence of a strong expansion. The second mechanism depends on the reflection of the strong expansion from the interface. Predictions compare favorably with experimental results. The theory is expected to be independent of the absolute values of the initial expansion tube filling pressures.

Proceedings 5th International Conference on Optics of Surfaces and Interfaces (OSI-V), Léon, México 26-30 May 2003: physica status solidi (c) - conferences and critical reviews

NASA Astrophysics Data System (ADS)

Mendoza, Bernardo S.

2003-05-01

physica status solidi (c) conferences and critical reviews publishes conference proceedings, ranging from large international meetings to specialized topical workshops as well as collections of topical reviews on various areas of current solid state physics research. The objective of "Optics of Surfaces and Interfaces" (OSI-V) is to bridge the gap between basic and applied science. Apart from recent advances in theoretical modeling and experimental research, special attention is given to novel techniques of optical spectroscopy at interfaces.

Transverse ductility of metal matrix composites

NASA Technical Reports Server (NTRS)

Gunawardena, S. R.; Jansson, S.; Leckie, F. A.

1991-01-01

The role of the fiber matrix interface bond on the transverse ductility of continuous fiber reinforced composites has been investigated. Two specific systems have been considered: an Aluminum alloy matrix reinforced by Alumina fibers, characterized by a strong interface and a Titanium alloy reinforced by coated Silicon Carbide fibers, characterized by a weak interface. A micro-mechanical study indicates that the bond condition has a significant effect on the state of stress in the matrix which in turn dictates the available matrix ductility. The micro-mechanical predictions are in good agreement with the experimental results for the two systems.

Crack growth in bonded elastic half planes

NASA Technical Reports Server (NTRS)

Goree, J. G.

1975-01-01

Two solutions were developed for the two dimensional problem of bonded linearly elastic half-planes. For each solution, numerical results are presented for the stress intensity factors, strain energy release rate, stresses, and displacements. The behavior predicted by the studies was investigated experimentally using polymers for the material pairs. Close agreement was found for the critical stress intensity factor at fracture for the perpendicular crack near the interface. Fracture along the interface proved to be inconclusive due to difficulties in obtaining a brittle bond. Some interesting and predictable behavior regarding the potential for the crack to cross the interface was observed and is discussed.