Nanosecond laser surface modification of AISI 304L stainless steel: Influence the beam overlap on pitting corrosion resistance

International Nuclear Information System (INIS)

Pacquentin, Wilfried; Caron, Nadège; Oltra, Roland

2014-01-01

Surface modifications of AISI 304L stainless steel by laser surface melting (LSM) were investigated using a nanosecond pulsed laser-fibre doped by ytterbium at different overlaps. The objective was to study the change in the corrosion properties induced by the treatment of the outer-surface of the stainless steel without modification of the bulk material. Different analytical techniques such as scanning electron microscopy (SEM), X-ray diffraction (XRD), and glow discharge optical emission spectrometry (GDOES) were used to characterize the laser-melted surface. The corrosion resistance was evaluated in a chloride solution at room temperature by electrochemical tests. The results showed that the crystallographic structure, the chemical composition, the properties of the induced oxide layer and consequently the pitting corrosion resistance strongly depend on the overlap rate. The most efficient laser parameters led to an increase of the pitting potential by more than 300 mV, corresponding to a quite important improvement of the corrosion resistance. This latter was correlated to chromium enrichment (47 wt.%) at the surface of the stainless steel and the induced absence of martensite and ferrite phases. However, these structural and chemical modifications were not sufficient to explain the change in corrosion behaviour: defects and adhesion of the surface oxide layer must have been taken into consideration.

Tritium-surface interactions

International Nuclear Information System (INIS)

Kirkaldy, J.S.

1983-06-01

The report deals broadly with tritium-surface interactions as they relate to a fusion power reactor enterprise, viz., the vacuum chamber, first wall, peripherals, pumping, fuel recycling, isotope separation, repair and maintenance, decontamination and safety. The main emphasis is on plasma-surface interactions and the selection of materials for fusion chamber duty. A comprehensive review of the international (particularly U.S.) research and development is presented based upon a literature review (about 1 000 reports and papers) and upon visits to key laboratories, Sandia, Albuquerque, Sandia, Livermore and EGβG Idaho. An inventory of Canadian expertise and facilities for RβD on tritium-surface interactions is also presented. A number of proposals are made for the direction of an optimal Canadian RβD program, emphasizing the importance of building on strength in both the technological and fundamental areas. A compendium of specific projects and project areas is presented dealing primarily with plasma-wall interactions and permeation, anti-permeation materials and surfaces and health, safety and environmental considerations. Potential areas of industrial spinoff are identified

DFT study of ethyl xanthate interaction with sphalerite (1 1 0) surface in the absence and presence of copper

Science.gov (United States)

Liu, Jian; Wen, Shuming; Deng, Jiushuai; Chen, Xiumin; Feng, Qicheng

2014-08-01

The interaction among sphalerite (1 1 0) surface, copper and ethyl xanthate (EX) was simulated using the density functional theory (DFT). The results of DFT indicate that four types of stable interaction models exist among sphalerite surface, copper and EX, i.e., EX interacts with the Cu substituted for Zn, Cu adsorbed on the top site of S, Cu adsorbed on the bridge site of S and Cu(OH)2 adsorbed on the sphalerite surface. The four interaction models can result in the activation flotation of sphalerite. Density of states (DOS) analysis shows that the energy level discrepancy of the Zn 3d orbital in ZnS and the bonding S 3p orbital in EX results in the weak adsorption of EX on un-activated sphalerite surface. However, after copper activation, the Cu 3d orbital peak and bonding S 3p orbital peak are just maximally overlapped nearby the Fermi level. This study provides an insight into the nature that sphalerite responds not well to EX and also a comprehensive understanding on the possible interaction cases existing among sphalerite surface, copper and EX.

DFT study of ethyl xanthate interaction with sphalerite (1 1 0) surface in the absence and presence of copper

Energy Technology Data Exchange (ETDEWEB)

Liu, Jian [State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization , Kunming University of Science and Technology, Kunming 650093 (China); Wen, Shuming, E-mail: shmwen@126.com [State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization , Kunming University of Science and Technology, Kunming 650093 (China); Deng, Jiushuai [State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization , Kunming University of Science and Technology, Kunming 650093 (China); Chen, Xiumin [National Engineering Laboratory of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093 (China); Feng, Qicheng [State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization , Kunming University of Science and Technology, Kunming 650093 (China)

2014-08-30

Highlights: • Interaction among sphalerite surface, copper and ethyl xanthate (EX) was simulated. • Results show that four stable interaction models exist among them. • The four models can result in the activation flotation of sphalerite. - Abstract: The interaction among sphalerite (1 1 0) surface, copper and ethyl xanthate (EX) was simulated using the density functional theory (DFT). The results of DFT indicate that four types of stable interaction models exist among sphalerite surface, copper and EX, i.e., EX interacts with the Cu substituted for Zn, Cu adsorbed on the top site of S, Cu adsorbed on the bridge site of S and Cu(OH){sub 2} adsorbed on the sphalerite surface. The four interaction models can result in the activation flotation of sphalerite. Density of states (DOS) analysis shows that the energy level discrepancy of the Zn 3d orbital in ZnS and the bonding S 3p orbital in EX results in the weak adsorption of EX on un-activated sphalerite surface. However, after copper activation, the Cu 3d orbital peak and bonding S 3p orbital peak are just maximally overlapped nearby the Fermi level. This study provides an insight into the nature that sphalerite responds not well to EX and also a comprehensive understanding on the possible interaction cases existing among sphalerite surface, copper and EX.

DFT study of ethyl xanthate interaction with sphalerite (1 1 0) surface in the absence and presence of copper

International Nuclear Information System (INIS)

Liu, Jian; Wen, Shuming; Deng, Jiushuai; Chen, Xiumin; Feng, Qicheng

2014-01-01

Highlights: • Interaction among sphalerite surface, copper and ethyl xanthate (EX) was simulated. • Results show that four stable interaction models exist among them. • The four models can result in the activation flotation of sphalerite. - Abstract: The interaction among sphalerite (1 1 0) surface, copper and ethyl xanthate (EX) was simulated using the density functional theory (DFT). The results of DFT indicate that four types of stable interaction models exist among sphalerite surface, copper and EX, i.e., EX interacts with the Cu substituted for Zn, Cu adsorbed on the top site of S, Cu adsorbed on the bridge site of S and Cu(OH) 2 adsorbed on the sphalerite surface. The four interaction models can result in the activation flotation of sphalerite. Density of states (DOS) analysis shows that the energy level discrepancy of the Zn 3d orbital in ZnS and the bonding S 3p orbital in EX results in the weak adsorption of EX on un-activated sphalerite surface. However, after copper activation, the Cu 3d orbital peak and bonding S 3p orbital peak are just maximally overlapped nearby the Fermi level. This study provides an insight into the nature that sphalerite responds not well to EX and also a comprehensive understanding on the possible interaction cases existing among sphalerite surface, copper and EX

ON MAGNETIC ACTIVITY BAND OVERLAP, INTERACTION, AND THE FORMATION OF COMPLEX SOLAR ACTIVE REGIONS

Energy Technology Data Exchange (ETDEWEB)

McIntosh, Scott W. [High Altitude Observatory, National Center for Atmospheric Research, P.O. Box 3000, Boulder, CO 80307 (United States); Leamon, Robert J., E-mail: mscott@hao.ucar.edu [Department of Physics, Montana State University, Bozeman, MT 59717 (United States)

2014-11-20

Recent work has revealed a phenomenological picture of the how the ∼11 yr sunspot cycle of the Sun arises. The production and destruction of sunspots is a consequence of the latitudinal-temporal overlap and interaction of the toroidal magnetic flux systems that belong to the 22 yr magnetic activity cycle and are rooted deep in the Sun's convective interior. We present a conceptually simple extension of this work, presenting a hypothesis on how complex active regions can form as a direct consequence of the intra- and extra-hemispheric interaction taking place in the solar interior. Furthermore, during specific portions of the sunspot cycle, we anticipate that those complex active regions may be particularly susceptible to profoundly catastrophic breakdown, producing flares and coronal mass ejections of the most severe magnitude.

Surfaces and spaces: troubleshooting the study of dietary niche space overlap between North American stem primates and rodents

Science.gov (United States)

Prufrock, Kristen A.; López-Torres, Sergi; Silcox, Mary T.; Boyer, Doug M.

2016-06-01

Dental topographic metrics provide quantitative, biologically meaningful data on the three-dimensional (3D) form of teeth. In this study, three dental topographic metrics (Dirichlet normal energy (DNE), relief index (RFI), and orientation patch count rotated (OPCR)) are used to evaluate the presence of dietary niche overlap between North American plesiadapoid primates (Plesiadapidae, Carpolestidae, and Saxonellidae) and early rodents. Calculation of these metrics requires researchers to modify the 3D surface models of the teeth by cropping them to a region of interest and/or orienting them. The current study therefore also examines the error introduced by cropping and orientation, and evaluates the contribution of these metrics to the niche overlap hypothesis. Our results indicate that cropping creates significantly more variation in RFI than DNE. Furthermore, orientation is an even larger source of variation in the calculation of RFI than cropping. Orientation does not strongly influence OPCR values. However, none of these sources of error are significant enough to undermine the extent to which these metrics can speak to the niche overlap hypothesis. The DNE and RFI results suggest that carpolestids and saxonellids had very different molar morphologies from early rodents, and thus these groups were not adapted to consume the same resources. Some plesiadapids show similar levels of occlusal curvature, relief, and complexity to early rodents. The plesiadapid Chiromyoides, which has distinctively low cusps and weak shearing crest development, has molars that are the most rodent-like of all taxa compared. This suggests that Chiromyoides had a dietary niche that overlapped with early rodents and would have been the most likely to be competing over food resources. Results from the plesiadapoid-rodent dental topographic analysis highlight the utility of DNE for detecting more fine-scaled differences in occlusal surface morphology than OPCR, whereas RFI provided valuable

An Economical Analytical Equation for the Integrated Vertical Overlap of Cumulus and Stratus

Science.gov (United States)

Park, Sungsu

2018-03-01

By extending the previously proposed heuristic parameterization, the author derived an analytical equation computing the overlap areas between the precipitation (or radiation) areas and the cloud areas in a cloud system consisting of cumulus and stratus. The new analytical equation is accurate and much more efficient than the previous heuristic equation, which suffers from the truncation error in association with the digitalization of the overlap areas. Global test simulations with the new analytical formula in an offline mode showed that the maximum cumulus overlap simulates more surface precipitation flux than the random cumulus overlap. On the other hand, the maximum stratus overlap simulates less surface precipitation flux than random stratus overlap, which is due to the increase in the evaporation rate of convective precipitation from the random to maximum stratus overlap. The independent precipitation approximation (IPA) marginally decreases the surface precipitation flux, implying that IPA works well with other parameterizations. In contrast to the net production rate of precipitation and surface precipitation flux that increase when the cumulus and stratus are maximally and randomly overlapped, respectively, the global mean net radiative cooling and longwave cloud radiative forcing (LWCF) increase when the cumulus and stratus are randomly overlapped. On the global average, the vertical cloud overlap exerts larger impacts on the precipitation flux than on the radiation flux. The radiation scheme taking the subgrid variability of water vapor between the cloud and clear portions into account substantially increases the global mean LWCF in tropical deep convection and midlatitude storm track regions.

Overlapping community detection using weighted consensus ...

Indian Academy of Sciences (India)

2016-09-21

Sep 21, 2016 ... Complex networks; overlapping community; consensus clustering. PACS Nos 89.75 ... networks, a person may be in several social groups like family, friends ..... the social interactions between individuals in a karate club in an.

Interacting boson model with surface delta interaction between nucleons

International Nuclear Information System (INIS)

Druce, C.; Moszkowski, S.A.

1984-01-01

The surface delta interaction is used as an effective nucleon-nucleon interaction to investigate the structure and interaction of the bosons in the interacting boson model. The authors have obtained analytical expressions for the coefficients of a multipole expansion of the neutron-boson proton-boson interaction for the case of degenerate orbits

Numerical simulation of ion-surface interactions

International Nuclear Information System (INIS)

Hou, M.

1994-01-01

This paper, based on examples from the author's contribution, aims to illustrate the role of ballistic simulations of the interaction between an ion beam and a surface in the characterization of surface properties. Several aspects of the ion-surface interaction have been modelled to various levels of sophistication by computer simulation. Particular emphasis is given to the ion scattering in the impact mode, in the multiple scattering regime and at grazing incidence, as well as to the Auger emission resulting from electronic excitation. Some examples are then given in order to illustrate the use of the combination between simulation and experiment to study the ion-surface interaction and surface properties. Ion-induced Auger emission, the determination of potentials and of overlay structures are discusse. The possibility to tackle dynamical surface properties by menas of a combination between molecular dynamics, ballistic simulations and ion scattering measurements in then briefly discussed. (orig.)

Planetary Surface-Atmosphere Interactions

Science.gov (United States)

Merrison, J. P.; Bak, E.; Finster, K.; Gunnlaugsson, H. P.; Holstein-Rathlou, C.; Knak Jensen, S.; Nørnberg, P.

2013-09-01

Planetary bodies having an accessible solid surface and significant atmosphere, such as Earth, Mars, Venus, Titan, share common phenomenology. Specifically wind induced transport of surface materials, subsequent erosion, the generation and transport of solid aerosols which leads both to chemical and electrostatic interaction with the atmosphere. How these processes affect the evolution of the atmosphere and surface will be discussed in the context of general planetology and the latest laboratory studies will be presented.

Holographic measurement of distortion during laser melting: Additive distortion from overlapping pulses

Science.gov (United States)

Haglund, Peter; Frostevarg, Jan; Powell, John; Eriksson, Ingemar; Kaplan, Alexander F. H.

2018-03-01

Laser - material interactions such as welding, heat treatment and thermal bending generate thermal gradients which give rise to thermal stresses and strains which often result in a permanent distortion of the heated object. This paper investigates the thermal distortion response which results from pulsed laser surface melting of a stainless steel sheet. Pulsed holography has been used to accurately monitor, in real time, the out-of-plane distortion of stainless steel samples melted on one face by with both single and multiple laser pulses. It has been shown that surface melting by additional laser pulses increases the out of plane distortion of the sample without significantly increasing the melt depth. The distortion differences between the primary pulse and subsequent pulses has also been analysed for fully and partially overlapping laser pulses.

Collaboration Meets Interactive Surfaces (CMIS)

DEFF Research Database (Denmark)

Anslow, Craig; Campos, Pedro; Grisoni, Laurent

2015-01-01

This workshop proposes to bring together researchers who are interested in improving collaborative experiences through the combination of multiple interaction surfaces with diverse sizes and formats, ranging from large-scale walls, to tables, mobiles, and wearables. The opportunities for innovation...... exist, but the ITS, CHI, CSCW, and other HCI communities have not yet thoroughly addressed the problem of bringing effective collaboration activities together using multiple interactive surfaces, especially in complex work domains. Of particular interest is the potential synergy that one can obtain...

An Efficient Method to Evaluate Intermolecular Interaction Energies in Large Systems Using Overlapping Multicenter ONIOM and the Fragment Molecular Orbital Method

Science.gov (United States)

Asada, Naoya; Fedorov, Dmitri G.; Kitaura, Kazuo; Nakanishi, Isao; Merz, Kenneth M.

2012-01-01

We propose an approach based on the overlapping multicenter ONIOM to evaluate intermolecular interaction energies in large systems and demonstrate its accuracy on several representative systems in the complete basis set limit at the MP2 and CCSD(T) level of theory. In the application to the intermolecular interaction energy between insulin dimer and 4′-hydroxyacetanilide at the MP2/CBS level, we use the fragment molecular orbital method for the calculation of the entire complex assigned to the lowest layer in three-layer ONIOM. The developed method is shown to be efficient and accurate in the evaluation of the protein-ligand interaction energies. PMID:23050059

Regulating DNA Self-assembly by DNA-Surface Interactions.

Science.gov (United States)

Liu, Longfei; Li, Yulin; Wang, Yong; Zheng, Jianwei; Mao, Chengde

2017-12-14

DNA self-assembly provides a powerful approach for preparation of nanostructures. It is often studied in bulk solution and involves only DNA-DNA interactions. When confined to surfaces, DNA-surface interactions become an additional, important factor to DNA self-assembly. However, the way in which DNA-surface interactions influence DNA self-assembly is not well studied. In this study, we showed that weak DNA-DNA interactions could be stabilized by DNA-surface interactions to allow large DNA nanostructures to form. In addition, the assembly can be conducted isothermally at room temperature in as little as 5 seconds. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Oscillating Evolution of a Mammalian Locus with Overlapping Reading Frames: An XLalphas/ALEX Relay.

Directory of Open Access Journals (Sweden)

2005-08-01

Full Text Available XLalphas and ALEX are structurally unrelated mammalian proteins translated from alternative overlapping reading frames of a single transcript. Not only are they encoded by the same locus, but a specific XLalphas/ALEX interaction is essential for G-protein signaling in neuroendocrine cells. A disruption of this interaction leads to abnormal human phenotypes, including mental retardation and growth deficiency. The region of overlap between the two reading frames evolves at a remarkable speed: the divergence between human and mouse ALEX polypeptides makes them virtually unalignable. To trace the evolution of this puzzling locus, we sequenced it in apes, Old World monkeys, and a New World monkey. We show that the overlap between the two reading frames and the physical interaction between the two proteins force the locus to evolve in an unprecedented way. Namely, to maintain two overlapping protein-coding regions the locus is forced to have high GC content, which significantly elevates its intrinsic evolutionary rate. However, the two encoded proteins cannot afford to change too quickly relative to each other as this may impair their interaction and lead to severe physiological consequences. As a result XLalphas and ALEX evolve in an oscillating fashion constantly balancing the rates of amino acid replacements. This is the first example of a rapidly evolving locus encoding interacting proteins via overlapping reading frames, with a possible link to the origin of species-specific neurological differences.

Evaluating the role of fronts in habitat overlaps between cold and warm water species in the western North Pacific: A proof of concept

Science.gov (United States)

Mugo, Robinson M.; Saitoh, Sei-Ichi; Takahashi, Fumihiro; Nihira, Akira; Kuroyama, Tadaaki

2014-09-01

Cold- and warm-water species' fishing grounds show a spatial synchrony around fronts in the western North Pacific (WNP). However, it is not yet clear whether a front (thermal, salinity or chlorophyll) acts as an absolute barrier to fish migration on either side or its structure allows interaction of species with different physiological requirements. Our objective was to assess potential areas of overlap between cold- and warm-water species using probabilities of presence derived from fishery datasets and remotely sensed environment data in the Kuroshio-Oyashio region in the WNP. Fishery data comprised skipjack tuna (Katsuwonus pelamis) fishing locations and proxy presences (derived from fishing night light images) for neon flying squid (Ommastrephes bartrami) and Pacific saury (Cololabis saira). Monthly (August-November) satellite remotely sensed sea-surface temperature, chlorophyll-a and sea-surface height anomaly images were used as environment data. Maximum entropy (MaxEnt) models were used to determine probabilities of presence (PoP) for each set of fishery and environment data for the area 35-45°N and 140-160°E. Maps of both sets of PoPs were compared and areas of overlap identified using a combined probability map. Results indicated that areas of spatial overlap existed among the species habitats, which gradually widened from September to November. The reasons for these overlaps include the presence of strong thermal/ocean-color gradients between cold Oyashio and warm Kuroshio waters, and also the presence of the sub-arctic front. Due to the high abundance of food along frontal zones, the species use the fronts as foraging grounds while confining within physiologically tolerable waters on either side of the front. The interaction zone around the front points to areas that might be accessible to both species for foraging, which suggests intense prey-predator interaction zones.

Nucleic acid interactions with pyrite surfaces

International Nuclear Information System (INIS)

Mateo-Marti, E.; Briones, C.; Rogero, C.; Gomez-Navarro, C.; Methivier, Ch.; Pradier, C.M.; Martin-Gago, J.A.

2008-01-01

The study of the interaction of nucleic acid molecules with mineral surfaces is a field of growing interest in organic chemistry, origin of life, material science and biotechnology. We have characterized the adsorption of single-stranded peptide nucleic acid (ssPNA) on a natural pyrite surface, as well as the further adsorption of ssDNA on a PNA-modified pyrite surface. The characterization has been performed by means of reflection absorption infrared spectroscopy (RAIRS), atomic force microscopy (AFM) and X-ray photoemission spectroscopy (XPS) techniques. The N(1s) and S(2p) XPS core level peaks of PNA and PNA + DNA have been decomposed in curve-components that we have assigned to different chemical species. RAIRS spectra recorded for different concentrations show the presence of positive and negative adsorption bands, related to the semiconducting nature of the surface. The combination of the information gathered by these techniques confirms that PNA adsorbs on pyrite surface, interacting through nitrogen-containing groups of the nucleobases and the iron atoms of the surface, instead of the thiol group of the molecule. The strong PNA/pyrite interaction inhibits further hybridization of PNA with complementary ssDNA, contrary to the behavior reported on gold surfaces

Nucleic acid interactions with pyrite surfaces

Energy Technology Data Exchange (ETDEWEB)

Mateo-Marti, E. [Centro de Astrobiologia (CSIC-INTA), Ctra. Ajalvir, Km. 4, 28850-Torrejon de Ardoz, Madrid (Spain)], E-mail: mateome@inta.es; Briones, C.; Rogero, C. [Centro de Astrobiologia (CSIC-INTA), Ctra. Ajalvir, Km. 4, 28850-Torrejon de Ardoz, Madrid (Spain); Gomez-Navarro, C. [Instituto de Ciencia de Materiales de Madrid (CSIC), Cantoblanco, 28049-Madrid (Spain); Methivier, Ch.; Pradier, C.M. [Laboratoire de Reactivite de Surface, UMR CNRS 7609. Universite Pierre et Marie Curie, 4, Pl Jussieu, 75005-Paris (France); Martin-Gago, J.A. [Centro de Astrobiologia (CSIC-INTA), Ctra. Ajalvir, Km. 4, 28850-Torrejon de Ardoz, Madrid (Spain); Instituto de Ciencia de Materiales de Madrid (CSIC), Cantoblanco, 28049-Madrid (Spain)

2008-09-03

The study of the interaction of nucleic acid molecules with mineral surfaces is a field of growing interest in organic chemistry, origin of life, material science and biotechnology. We have characterized the adsorption of single-stranded peptide nucleic acid (ssPNA) on a natural pyrite surface, as well as the further adsorption of ssDNA on a PNA-modified pyrite surface. The characterization has been performed by means of reflection absorption infrared spectroscopy (RAIRS), atomic force microscopy (AFM) and X-ray photoemission spectroscopy (XPS) techniques. The N(1s) and S(2p) XPS core level peaks of PNA and PNA + DNA have been decomposed in curve-components that we have assigned to different chemical species. RAIRS spectra recorded for different concentrations show the presence of positive and negative adsorption bands, related to the semiconducting nature of the surface. The combination of the information gathered by these techniques confirms that PNA adsorbs on pyrite surface, interacting through nitrogen-containing groups of the nucleobases and the iron atoms of the surface, instead of the thiol group of the molecule. The strong PNA/pyrite interaction inhibits further hybridization of PNA with complementary ssDNA, contrary to the behavior reported on gold surfaces.

Sleep overlap syndrome

Directory of Open Access Journals (Sweden)

Fariba Rezaeetalab

2016-12-01

Full Text Available Overlap syndrome, which is known as the coexistence of chronic obstructive pulmonary disease (COPD and obstructive sleep apnea (OSA, was first defined by Flenley. Although it can refer to concomitant occurrence of any of the pulmonary diseases and OSA, overlap syndrome is commonly considered as the coexistence of OSA and COPD. This disease has unique adverse health consequences distinct from either condition alone. Given the high prevalence of each solitary disease, overlap syndrome is also likely to be common and clinically relevant. Despite the fact that overlap syndrome has been described in the literature for nearly 30 years, paucity of evaluations and studies limited the discussion on diagnosis, prevalence, pathophysiology, treatment, and outcomes of this disease. This review article addresses these issues by reviewing several recent studies conducted in Iran or other countries. This review suggests that overlap syndrome has worse outcomes than either disease alone. Our findings accentuated the urgent need for further studies on overlap syndrome and all overlaps between OSA and chronic pulmonary disease to provide a deeper insight into diagnosis and non-invasive treatments of this disease.

An overlapping generations model of climate-economy interactions

International Nuclear Information System (INIS)

Howarth, R. B.

1998-01-01

A numerically calibrated overlapping generations model of climate change and the world economy is examined in this paper. In the absence of inter-generational transfers, efficient rates of greenhouse gas emissions abatement rise from 16% in the present to 25% in the long run, while mean global temperature increases by 7.4 deg C relative to the pre industrial norm. A utilitarian optimum, which attaches equal weight to each generation's life-cycle utility, yields abatement rates that rise from 48% to 89%, with a long-run temperature increase of 3.4 deg C. A second-best utilitarian path, in which inter-generational transfers are by assumption institutionally infeasible, also supports stringent abatement measures

Overlap knock-out effects in the CERN intersecting storage rings (ISR)

CERN Document Server

Gourber, J P; Myers, S

1977-01-01

Overlap knock-out arises from an overlap between frequencies present in a bunched beam and the betatron frequencies in a stack. The 'single ring' effect in the interaction of a bunched beam with a stack in the same ring. Here the coupling forces are fairly linear and are transmitted by machine elements. The 'two-ring' effect is the interaction of a bunched beam with a stack in the other ring. Here the coupling forces are nonlinear since they are produced by the beam-beam interaction. A brief outline of the general theory of these effects is given. The single ring and two-ring dipole effects have been observed and shown to cause a large increase in the transverse size of the stacked beam. (4 refs).

Cluster structures influenced by interaction with a surface.

Science.gov (United States)

Witt, Christopher; Dieterich, Johannes M; Hartke, Bernd

2018-05-30

Clusters on surfaces are vitally important for nanotechnological applications. Clearly, cluster-surface interactions heavily influence the preferred cluster structures, compared to clusters in vacuum. Nevertheless, systematic explorations and an in-depth understanding of these interactions and how they determine the cluster structures are still lacking. Here we present an extension of our well-established non-deterministic global optimization package OGOLEM from isolated clusters to clusters on surfaces. Applying this approach to intentionally simple Lennard-Jones test systems, we produce a first systematic exploration that relates changes in cluster-surface interactions to resulting changes in adsorbed cluster structures.

Overlapping community detection based on link graph using distance dynamics

Science.gov (United States)

Chen, Lei; Zhang, Jing; Cai, Li-Jun

2018-01-01

The distance dynamics model was recently proposed to detect the disjoint community of a complex network. To identify the overlapping structure of a network using the distance dynamics model, an overlapping community detection algorithm, called L-Attractor, is proposed in this paper. The process of L-Attractor mainly consists of three phases. In the first phase, L-Attractor transforms the original graph to a link graph (a new edge graph) to assure that one node has multiple distances. In the second phase, using the improved distance dynamics model, a dynamic interaction process is introduced to simulate the distance dynamics (shrink or stretch). Through the dynamic interaction process, all distances converge, and the disjoint community structure of the link graph naturally manifests itself. In the third phase, a recovery method is designed to convert the disjoint community structure of the link graph to the overlapping community structure of the original graph. Extensive experiments are conducted on the LFR benchmark networks as well as real-world networks. Based on the results, our algorithm demonstrates higher accuracy and quality than other state-of-the-art algorithms.

A Heuristic Parameterization for the Integrated Vertical Overlap of Cumulus and Stratus

Science.gov (United States)

Park, Sungsu

2017-10-01

The author developed a heuristic parameterization to handle the contrasting vertical overlap structures of cumulus and stratus in an integrated way. The parameterization assumes that cumulus is maximum-randomly overlapped with adjacent cumulus; stratus is maximum-randomly overlapped with adjacent stratus; and radiation and precipitation areas at each model interface are grouped into four categories, that is, convective, stratiform, mixed, and clear areas. For simplicity, thermodynamic scalars within individual portions of cloud, radiation, and precipitation areas are assumed to be internally homogeneous. The parameterization was implemented into the Seoul National University Atmosphere Model version 0 (SAM0) in an offline mode and tested over the globe. The offline control simulation reasonably reproduces the online surface precipitation flux and longwave cloud radiative forcing (LWCF). Although the cumulus fraction is much smaller than the stratus fraction, cumulus dominantly contributes to precipitation production in the tropics. For radiation, however, stratus is dominant. Compared with the maximum overlap, the random overlap of stratus produces stronger LWCF and, surprisingly, more precipitation flux due to less evaporation of convective precipitation. Compared with the maximum overlap, the random overlap of cumulus simulates stronger LWCF and weaker precipitation flux. Compared with the control simulation with separate cumulus and stratus, the simulation with a single-merged cloud substantially enhances the LWCF in the tropical deep convection and midlatitude storm track regions. The process-splitting treatment of convective and stratiform precipitation with an independent precipitation approximation (IPA) simulates weaker surface precipitation flux than the control simulation in the tropical region.

Plasma surface interaction processes and possible synergisms

International Nuclear Information System (INIS)

Behrisch, R.; Roberto, J.B.

1984-08-01

The process determining the plasma surface interaction in today's high temperature plasma experiments are investigated following several lines. First, in plasma devices, the particle and energy fluxes to the different first wall areas the fluxes from the walls back into the plasma are measured and the boundary plasma parameters are determined. The surface composition and structure of the walls, limiters and divertor plates are analyzed following exposure to many discharges. Secondly, the different surface processes which are expected to contribute to the plasma surface interaction (particularly to hydrogen particle balance and impurity introduction) are studied in simulation experiments using well defined particle beams

Bimanual Interaction with Interscopic Multi-Touch Surfaces

Science.gov (United States)

Schöning, Johannes; Steinicke, Frank; Krüger, Antonio; Hinrichs, Klaus; Valkov, Dimitar

Multi-touch interaction has received considerable attention in the last few years, in particular for natural two-dimensional (2D) interaction. However, many application areas deal with three-dimensional (3D) data and require intuitive 3D interaction techniques therefore. Indeed, virtual reality (VR) systems provide sophisticated 3D user interface, but then lack efficient 2D interaction, and are therefore rarely adopted by ordinary users or even by experts. Since multi-touch interfaces represent a good trade-off between intuitive, constrained interaction on a touch surface providing tangible feedback, and unrestricted natural interaction without any instrumentation, they have the potential to form the foundation of the next generation user interface for 2D as well as 3D interaction. In particular, stereoscopic display of 3D data provides an additional depth cue, but until now the challenges and limitations for multi-touch interaction in this context have not been considered. In this paper we present new multi-touch paradigms and interactions that combine both traditional 2D interaction and novel 3D interaction on a touch surface to form a new class of multi-touch systems, which we refer to as interscopic multi-touch surfaces (iMUTS). We discuss iMUTS-based user interfaces that support interaction with 2D content displayed in monoscopic mode and 3D content usually displayed stereoscopically. In order to underline the potential of the proposed iMUTS setup, we have developed and evaluated two example interaction metaphors for different domains. First, we present intuitive navigation techniques for virtual 3D city models, and then we describe a natural metaphor for deforming volumetric datasets in a medical context.

Overlap functions

Czech Academy of Sciences Publication Activity Database

Bustince, H.; Fernández, J.; Mesiar, Radko; Montero, J.; Orduna, R.

2010-01-01

Roč. 72, 3-4 (2010), s. 1488-1499 ISSN 0362-546X R&D Projects: GA ČR GA402/08/0618 Institutional research plan: CEZ:AV0Z10750506 Keywords : t-norm * Migrative property * Homogeneity property * Overlap function Subject RIV: BA - General Mathematics Impact factor: 1.279, year: 2010 http://library.utia.cas.cz/separaty/2009/E/mesiar-overlap functions.pdf

Interacting boson model with surface delta interaction between nucleons: Structure and interaction of bosons

International Nuclear Information System (INIS)

Druce, C.H.; Moszkowski, S.A.

1986-01-01

The surface delta interaction is used as an effective nucleon-nucleon interaction to investigate the structure and interaction of the bosons in the interacting boson model. We have obtained analytical expressions for the coefficients of a multipole expansion of the neutron-boson-proton-boson interaction for the case of degenerate orbits. A connection is made between these coefficients and the parameters of the interaction boson model Hamiltonian. A link between the latter parameters and the single boson energies is suggested

Interacting boson model with surface delta interaction between nucleons: Structure and interaction of bosons

Energy Technology Data Exchange (ETDEWEB)

Druce, C.H.; Moszkowski, S.A.

1986-01-01

The surface delta interaction is used as an effective nucleon-nucleon interaction to investigate the structure and interaction of the bosons in the interacting boson model. We have obtained analytical expressions for the coefficients of a multipole expansion of the neutron-boson-proton-boson interaction for the case of degenerate orbits. A connection is made between these coefficients and the parameters of the interaction boson model Hamiltonian. A link between the latter parameters and the single boson energies is suggested.

Plasma-surface interactions under high heat and particle fluxes

NARCIS (Netherlands)

De Temmerman, G.; Bystrov, K.; Liu, F.; Liu, W.; Morgan, T.; Tanyeli, I.; van den Berg, M.; Xu, H.; Zielinski, J.

2013-01-01

The plasma-surface interactions expected in the divertor of a future fusion reactor are characterized by extreme heat and particle fluxes interacting with the plasma-facing surfaces. Powerful linear plasma generators are used to reproduce the expected plasma conditions and allow plasma-surface

Device for overlapping of a column of pump compressor pipes

Energy Technology Data Exchange (ETDEWEB)

Sharafutdinov, I.G.; Akhmerov, M.N.; Asadullin, Kh.F.; Prokopov, O.I.

1980-02-16

A device is proposed for automatic overlapping of pump compressor pipes of gushing petroleum and gas wells when losses occur near the well. The objective of the invention is to increase efficiency of the overlapping of the pipe column by recharging the device directly at the hole without disassembling the head equipment. This objective is achieved as follows. The device is equipped with elastic spacers located in the channels of a ring. They are mounted with the possibility of interaction with ball catches. A drawing and description of the device are given.

Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.

Science.gov (United States)

Plasser, Felix; Ruckenbauer, Matthias; Mai, Sebastian; Oppel, Markus; Marquetand, Philipp; González, Leticia

2016-03-08

A new algorithm for the computation of the overlap between many-electron wave functions is described. This algorithm allows for the extensive use of recurring intermediates and thus provides high computational efficiency. Because of the general formalism employed, overlaps can be computed for varying wave function types, molecular orbitals, basis sets, and molecular geometries. This paves the way for efficiently computing nonadiabatic interaction terms for dynamics simulations. In addition, other application areas can be envisaged, such as the comparison of wave functions constructed at different levels of theory. Aside from explaining the algorithm and evaluating the performance, a detailed analysis of the numerical stability of wave function overlaps is carried out, and strategies for overcoming potential severe pitfalls due to displaced atoms and truncated wave functions are presented.

OVERLAPPING VIRTUAL CADASTRAL DOCUMENTATION

Directory of Open Access Journals (Sweden)

Madalina - Cristina Marian

2013-12-01

Full Text Available Two cadastrale plans of buildings, can overlap virtual. Overlap is highlighted when digital reception. According to Law no. 7/1996 as amended and supplemented, to solve these problems is by updating the database graphs, the repositioning. This paper addresses the issue of overlapping virtual cadastre in the history of the period 1999-2012.

PairWise Neighbours database: overlaps and spacers among prokaryote genomes

Directory of Open Access Journals (Sweden)

Garcia-Vallvé Santiago

2009-06-01

Full Text Available Abstract Background Although prokaryotes live in a variety of habitats and possess different metabolic and genomic complexity, they have several genomic architectural features in common. The overlapping genes are a common feature of the prokaryote genomes. The overlapping lengths tend to be short because as the overlaps become longer they have more risk of deleterious mutations. The spacers between genes tend to be short too because of the tendency to reduce the non coding DNA among prokaryotes. However they must be long enough to maintain essential regulatory signals such as the Shine-Dalgarno (SD sequence, which is responsible of an efficient translation. Description PairWise Neighbours is an interactive and intuitive database used for retrieving information about the spacers and overlapping genes among bacterial and archaeal genomes. It contains 1,956,294 gene pairs from 678 fully sequenced prokaryote genomes and is freely available at the URL http://genomes.urv.cat/pwneigh. This database provides information about the overlaps and their conservation across species. Furthermore, it allows the wide analysis of the intergenic regions providing useful information such as the location and strength of the SD sequence. Conclusion There are experiments and bioinformatic analysis that rely on correct annotations of the initiation site. Therefore, a database that studies the overlaps and spacers among prokaryotes appears to be desirable. PairWise Neighbours database permits the reliability analysis of the overlapping structures and the study of the SD presence and location among the adjacent genes, which may help to check the annotation of the initiation sites.

Asperity interaction in adhesive contact of metallic rough surfaces

International Nuclear Information System (INIS)

Sahoo, Prasanta; Banerjee, Atanu

2005-01-01

The analysis of adhesive contact of metallic rough surfaces considering the effect of asperity interaction is the subject of this investigation. The micro-contact model of asperity interactions developed by Zhao and Chang (2001 Trans. ASME: J. Tribol. 123 857-64) is combined with the elastic plastic adhesive contact model developed by Chang et al (1988 Trans. ASME: J. Tribol. 110 50-6) to consider the asperity interaction and elastic-plastic deformation in the presence of surface forces simultaneously. The well-established elastic adhesion index and plasticity index are used to consider the different contact conditions. Results show that asperity interaction influences the load-separation behaviour in elastic-plastic adhesive contact of metallic rough surfaces significantly and, in general, adhesion is reduced due to asperity interactions

Plasma–Surface Interactions Under High Heat and Particle Fluxes

Directory of Open Access Journals (Sweden)

Gregory De Temmerman

2013-01-01

Full Text Available The plasma-surface interactions expected in the divertor of a future fusion reactor are characterized by extreme heat and particle fluxes interacting with the plasma-facing surfaces. Powerful linear plasma generators are used to reproduce the expected plasma conditions and allow plasma-surface interactions studies under those very harsh conditions. While the ion energies on the divertor surfaces of a fusion device are comparable to those used in various plasma-assited deposition and etching techniques, the ion (and energy fluxes are up to four orders of magnitude higher. This large upscale in particle flux maintains the surface under highly non-equilibrium conditions and bring new effects to light, some of which will be described in this paper.

Pre-asymptotic behavior of single-particle overlap integrals of non-Borromean two-neutron halos

International Nuclear Information System (INIS)

Timofeyuk, N.K.; Tostevin, J.A.; Blokhintsev, L.D.

2003-01-01

For non-Borromean two-neutron halo nuclei, modifications to the behavior of single-particle overlap integrals will arise due to the correlations of the two interacting nucleons in the halo. An additional contribution to the overlap integral can be obtained using the Feynman diagram approach. This additional term is modeled using a simple local potential model. We show that these modifications may play a role in detailed interpretations of experimental results from single-nucleon knockout, transfer, and other reactions that probe the single-nucleon overlap functions

Interactions between kaolinite Al−OH surface and sodium hexametaphosphate

Energy Technology Data Exchange (ETDEWEB)

Han, Yonghua, E-mail: hyh19891102@163.com [School of Chemical and Environmental Engineering, China University of Mining and Technology, Beijing 100083 (China); Liu, Wenli; Zhou, Jia [School of Chemical and Environmental Engineering, China University of Mining and Technology, Beijing 100083 (China); Chen, Jianhua [College of Resources and Metallurgy, Guangxi University, Nanning 530004 (China)

2016-11-30

Highlights: • Sodium hexametaphosphate (NaHMP) can adsorb on kaolinite Al−OH terminated (001) surface easily. • The oxygen atoms of hexametaphosphate form strong hydrogen bonds with the hydrogen atoms of kaolinite Al−OH surface. • The electrostatic force is the main interaction between NaHMP and Al−OH surface. • The linear hexaphosphate −[PO{sub 3}]{sub m}− chains adsorb stably than −[HPO{sub 3}]{sub m}− chains. - Abstract: To investigate the dispersion mechanism of sodium hexametaphosphate on kaolinite particles, we simulated the interaction between linear polyphosphate chains and kaolinite Al−OH terminated surface by molecular dynamics, as well as the interaction between the [HPO{sub 4}]{sup 2−} anion and kaolinite Al−OH surface by density functional theory (DFT). The calculated results demonstrate that hexametaphosphate can be adsorbed by the kaolinite Al−OH surface. The oxygen atoms of hexametaphosphate anions may receive many electrons from the Al−OH surface and form hydrogen bonds with the hydrogen atoms of surface hydroxyl groups. Moreover, electrostatic force dominates the interactions between hexametaphosphate anions and kaolinite Al−OH surface. Therefore, after the adsorption of hexametaphosphate on kaolinite Al−OH surface, the kaolinite particles carry more negative charge and the electrostatic repulsion between particles increases. In addition, the adsorption of −[PO{sub 3}]{sub m}− species on the Al−OH surface should be more stable than the adsorption of −[HPO{sub 3}]{sub m}− species.

Interactive Design of Developable Surfaces

KAUST Repository

Tang, Chengcheng

2016-01-15

We present a new approach to geometric modeling with developable surfaces and the design of curved-creased origami. We represent developables as splines and express the nonlinear conditions relating to developability and curved folds as quadratic equations. This allows us to utilize a constraint solver, which may be described as energy-guided projection onto the constraint manifold, and which is fast enough for interactive modeling. Further, a combined primal-dual surface representation enables us to robustly and quickly solve approximation problems.

Interactive Design of Developable Surfaces

KAUST Repository

Tang, Chengcheng; Bo, Pengbo; Wallner, Johannes; Pottmann, Helmut

2016-01-01

We present a new approach to geometric modeling with developable surfaces and the design of curved-creased origami. We represent developables as splines and express the nonlinear conditions relating to developability and curved folds as quadratic equations. This allows us to utilize a constraint solver, which may be described as energy-guided projection onto the constraint manifold, and which is fast enough for interactive modeling. Further, a combined primal-dual surface representation enables us to robustly and quickly solve approximation problems.

VIGO: Instrumental Interaction in Multi-Surface Environments

DEFF Research Database (Denmark)

Klokmose, Clemens Nylandsted; Beaudouin-Lafon, Michel

2009-01-01

This paper addresses interaction in multi-surface environments and questions whether the current application-centric approaches to user interfaces are adequate in this context, and presents an alternative approach based on instrumental interaction. The paper presents the VIGO (Views, Instruments...

Organic chemistry on Titan: Surface interactions

Science.gov (United States)

Thompson, W. Reid; Sagan, Carl

1992-01-01

The interaction of Titan's organic sediments with the surface (solubility in nonpolar fluids) is discussed. How Titan's sediments can be exposed to an aqueous medium for short, but perhaps significant, periods of time is also discussed. Interactions with hydrocarbons and with volcanic magmas are considered. The alteration of Titan's organic sediments over geologic time by the impacts of meteorites and comets is discussed.

Overlap of electron core states for very high compressions

International Nuclear Information System (INIS)

Straub, G.

1985-01-01

At normal density and for modest compressions, the electronic structure of a metal can be accurately described by treating the conduction electrons and their interactions with the usual methods of band theory. The core electrons remain essentially the same as for an isolated free atom and do not participate in the bonding forces responsible for creating a condensed phase. As the density increases, the core electrons begin to ''see'' one another as the overlap of the tails of wave functions can no longer be neglected. The electronic structure of the core electrons is responsible for an effective repulsive interaction that eventually becomes free-electron-like at very high compressions. The electronic structure of the interacting core electrons may be treated in a simple manner using the Atomic Surface Method (ASM). The ASM is a first-principles treatment of the electronic structure involving a rigorous integration of the Schroedinger equation within the atomic-sphere approximation. Solid phase wave functions are constructed from isolated atom wave functions and the band width W/sub l/ and the center of gravity of the band C/sub l/ are obtained from simple formulas. The ASM can also utilize analytic forms of the atomic wave functions and thus provide direct functional dependence of various aspects of the electronic structure. Of particular use in understanding the behavior of the core electrons, the ASM provides the analytic density dependence of the band widths and positions. 8 refs., 2 figs., 1 tab

Living as an LGBTQ Adolescent and a Parent's Child: Overlapping or Separate Experiences.

Science.gov (United States)

Mehus, Christopher J; Watson, Ryan J; Eisenberg, Marla E; Corliss, Heather L; Porta, Carolyn M

2017-05-01

It is well known that parental and community-based support are each related to healthy development in lesbian, gay, bisexual, transgender, queer, and questioning (LGBTQ) youth, but little research has explored the ways these contexts interact and overlap. Through go-along interviews (a method in which participants guide the interviewer around the community) with 66 youth in British Columbia, Massachusetts, and Minnesota, adolescents (aged 14-19 years) reported varying extent of overlap between their LGBTQ experiences and their parent-youth experiences; parents and youth each contributed to the extent of overlap. Youth who reported high overlap reported little need for resources outside their families but found resources easy to access if wanted. Youth who reported little overlap found it difficult to access resources. Findings suggest that in both research and practice, considering the extent to which youth feel they can express their authentic identity in multiple contexts may be more useful than simply evaluating parental acceptance or access to resources.

Monitoring peptide-surface interaction by means of molecular dynamics simulation

Energy Technology Data Exchange (ETDEWEB)

Nonella, Marco, E-mail: mnonella@pci.uzh.ch [Physikalisch-Chemisches Institut, Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich (Switzerland); Seeger, Stefan, E-mail: sseeger@pci.uzh.ch [Physikalisch-Chemisches Institut, Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich (Switzerland)

2010-12-09

Graphical abstract: Protein-surface interactions play a crucial role in a wide field of research areas like biology, biotechnology, or pharmacology. Only recently, it has been shown that not only peptide adsorption represents an important process but also spreading and clustering of adsorbed proteins. By means of classical molecular dynamics, peptide adsorption as well as the dynamics of adsorbed peptides have been investigated in order to gain deeper insight into such processes. The picture shows a snapshot of an adsorbed peptide on a silica surface showing strong direct hydrogen bonding. Research highlights: {yields} Simulation of peptide surface interaction. {yields} Dynamics of hydrogen bond formation and destruction. {yields} Internal flexibility of adsorbed peptides. - Abstract: Protein adsorption and protein surface interactions have become an important research topic in recent years. Very recently, for example, it has been shown that protein clusters can undergo a surface-induced spreading after adsorption. Such phenomena emphasize the need of a more detailed insight into protein-silica interaction at an atomic level. Therefore, we have studied a model system consisting of a short peptide, a silica slab, and water molecules by means of classical molecular dynamics simulations. The study reveals that, besides of electrostatic interactions caused by the chosen charge distribution, the peptide interacts with the silica surface through formation of direct peptide-surface hydrogen bonds as well as indirect peptide-water-surface hydrogen bonds. The number of created hydrogen bonds varies considerably among the simulated structures. The strength of hydrogen bonding determines the mobility of the peptide on the surface and the internal flexibility of the adsorbed peptide.

Linear response theory of activated surface diffusion with interacting adsorbates

Energy Technology Data Exchange (ETDEWEB)

Marti' nez-Casado, R. [Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Sanz, A.S.; Vega, J.L. [Instituto de Fi' sica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 123, 28006 Madrid (Spain); Rojas-Lorenzo, G. [Instituto Superior de Tecnologi' as y Ciencias Aplicadas, Ave. Salvador Allende, esq. Luaces, 10400 La Habana (Cuba); Instituto de Fi' sica Fundamental, Consejo Superior de Investigaciones Cienti' ficas, Serrano 123, 28006 Madrid (Spain); Miret-Artes, S., E-mail: s.miret@imaff.cfmac.csic.es [Instituto de Fi' sica Fundamental, Consejo Superior de Investigaciones Cienti' ficas, Serrano 123, 28006 Madrid (Spain)

2010-05-12

Graphical abstract: Activated surface diffusion with interacting adsorbates is analyzed within the Linear Response Theory framework. The so-called interacting single adsorbate model is justified by means of a two-bath model, where one harmonic bath takes into account the interaction with the surface phonons, while the other one describes the surface coverage, this leading to defining a collisional friction. Here, the corresponding theory is applied to simple systems, such as diffusion on flat surfaces and the frustrated translational motion in a harmonic potential. Classical and quantum closed formulas are obtained. Furthermore, a more realistic problem, such as atomic Na diffusion on the corrugated Cu(0 0 1) surface, is presented and discussed within the classical context as well as within the framework of Kramer's theory. Quantum corrections to the classical results are also analyzed and discussed. - Abstract: Activated surface diffusion with interacting adsorbates is analyzed within the Linear Response Theory framework. The so-called interacting single adsorbate model is justified by means of a two-bath model, where one harmonic bath takes into account the interaction with the surface phonons, while the other one describes the surface coverage, this leading to defining a collisional friction. Here, the corresponding theory is applied to simple systems, such as diffusion on flat surfaces and the frustrated translational motion in a harmonic potential. Classical and quantum closed formulas are obtained. Furthermore, a more realistic problem, such as atomic Na diffusion on the corrugated Cu(0 0 1) surface, is presented and discussed within the classical context as well as within the framework of Kramer's theory. Quantum corrections to the classical results are also analyzed and discussed.

A separable surface-enhanced Raman scattering substrate modified with MIL-101 for detection of overlapping and invisible compounds after thin-layer chromatography development.

Science.gov (United States)

Zhang, Bin Bin; Shi, Yi; Chen, Hui; Zhu, Qing Xia; Lu, Feng; Li, Ying Wei

2018-01-02

By coupling surface-enhanced Raman spectroscopy (SERS) with thin-layer chromatography (TLC), a powerful method for detecting complex samples was successfully developed. However, in the TLC-SERS method, metal nanoparticles serving as the SERS-active substrate are likely to disturb the detection of target compounds, particularly in overlapping compounds after TLC development. In addition, the SERS detection of compounds that are invisible under both visible light and UV 254/365 after TLC development is still a significant challenge. In this study, we demonstrated a facile strategy to fabricate a TLC plate with metal-organic framework-modified gold nanoparticles as a separable SERS substrate, on which all separated components, including overlapping and invisible compounds, could be detected by a point-by-point SERS scan along the developing direction. Rhodamine 6G (R6G) was used as a probe to evaluate the performance of the substrate. The results indicated that the substrate provided good sensitivity and reproducibility, and optimal SERS signals could be collected in 5 s. Furthermore, this new substrate exhibited a long shelf life. Thus, our method has great potential for the sensitive and rapid detection of overlapping and invisible compounds in complex samples after TLC development. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

Stochastic Description of Activated Surface Diffusion with Interacting Adsorbates

Science.gov (United States)

Martínez-Casado, Ruth; Vega, José Luis; Sanz, Ángel S.; Miret-Artés, Salvador

Activated surface diffusion on metal surfaces is receiving much attention both experimentally and theoretically. One of the main theoretical problems in this field is to explain the line-shape broadening observed when the surface coverage is increased. Recently, we have proposed a fully stochastic model, the interacting single adsorbate (ISA) model, aimed at explaining and understanding this type of experiments, which essentially consists of considering the classical Langevin formulation with two types of noise forces: (i) a Gaussian white noise accounting for the substrate friction, and (ii) a shot noise simulating the interacting adsorbates at different coverages. No interaction potential between adsorbates is included because any trace of microscopic interaction seems to be wiped out in a Markovian regime. This model describes in a good approximation, and at a very low computational cost, the line-shape broadening observed experimentally. Furthermore, its mathematical simplicity also allows to derive some analytical expressions which are of much help in the interpretation of the physics underlying surface diffusion processes.

Overlapping clusters for distributed computation.

Energy Technology Data Exchange (ETDEWEB)

Mirrokni, Vahab (Google Research, New York, NY); Andersen, Reid (Microsoft Corporation, Redmond, WA); Gleich, David F.

2010-11-01

Scalable, distributed algorithms must address communication problems. We investigate overlapping clusters, or vertex partitions that intersect, for graph computations. This setup stores more of the graph than required but then affords the ease of implementation of vertex partitioned algorithms. Our hope is that this technique allows us to reduce communication in a computation on a distributed graph. The motivation above draws on recent work in communication avoiding algorithms. Mohiyuddin et al. (SC09) design a matrix-powers kernel that gives rise to an overlapping partition. Fritzsche et al. (CSC2009) develop an overlapping clustering for a Schwarz method. Both techniques extend an initial partitioning with overlap. Our procedure generates overlap directly. Indeed, Schwarz methods are commonly used to capitalize on overlap. Elsewhere, overlapping communities (Ahn et al, Nature 2009; Mishra et al. WAW2007) are now a popular model of structure in social networks. These have long been studied in statistics (Cole and Wishart, CompJ 1970). We present two types of results: (i) an estimated swapping probability {rho}{infinity}; and (ii) the communication volume of a parallel PageRank solution (link-following {alpha} = 0.85) using an additive Schwarz method. The volume ratio is the amount of extra storage for the overlap (2 means we store the graph twice). Below, as the ratio increases, the swapping probability and PageRank communication volume decreases.

Binomial distribution of Poisson statistics and tracks overlapping probability to estimate total tracks count with low uncertainty

International Nuclear Information System (INIS)

Khayat, Omid; Afarideh, Hossein; Mohammadnia, Meisam

2015-01-01

In the solid state nuclear track detectors of chemically etched type, nuclear tracks with center-to-center neighborhood of distance shorter than two times the radius of tracks will emerge as overlapping tracks. Track overlapping in this type of detectors causes tracks count losses and it becomes rather severe in high track densities. Therefore, tracks counting in this condition should include a correction factor for count losses of different tracks overlapping orders since a number of overlapping tracks may be counted as one track. Another aspect of the problem is the cases where imaging the whole area of the detector and counting all tracks are not possible. In these conditions a statistical generalization method is desired to be applicable in counting a segmented area of the detector and the results can be generalized to the whole surface of the detector. Also there is a challenge in counting the tracks in densely overlapped tracks because not sufficient geometrical or contextual information are available. It this paper we present a statistical counting method which gives the user a relation between the tracks overlapping probabilities on a segmented area of the detector surface and the total number of tracks. To apply the proposed method one can estimate the total number of tracks on a solid state detector of arbitrary shape and dimensions by approximating the tracks averaged area, whole detector surface area and some orders of tracks overlapping probabilities. It will be shown that this method is applicable in high and ultra high density tracks images and the count loss error can be enervated using a statistical generalization approach. - Highlights: • A correction factor for count losses of different tracks overlapping orders. • For the cases imaging the whole area of the detector is not possible. • Presenting a statistical generalization method for segmented areas. • Giving a relation between the tracks overlapping probabilities and the total tracks

Electroreflectance and the problem of studying plasma-surface interactions

International Nuclear Information System (INIS)

Preppernau, B.L.

1995-01-01

A long standing problem in low-temperature plasma discharge physics is to understand in detail the mutual interaction of real exposed surfaces (electrodes) with the reactive plasma environment. In particular, one wishes to discern the influence of these surfaces on the plasma parameters given their contributions from secondary electrons and ions. This paper briefly reviews the known surface interaction processes as well as currently available diagnostics to study the interface between plasmas and surfaces. Next comes a discussion describing the application of plasma-modulated electroreflectance to this research and some potential experimental techniques

Interactions of planetary magnetospheres with icy satellite surfaces

International Nuclear Information System (INIS)

Cheng, A.F.; Haff, P.K.; Johnson, R.E.; Lanzerotti, L.J.

1986-01-01

When natural satellites and ring particles are embedded within magnetospheric plasmas, the charged particles interact with the surfaces of these solid bodies. These interactions have important implications for the surface, the atmosphere of the parent body, and the magnetosphere as a whole. Significant erosion of the surface by sputtering, as well as redeposition of sputter ejecta, can occur over geologic time. The surface can also be chemically modified. Sputter ejecta can make important contributions to the atmosphere; sputtering provides a lower limit to the atmospheric column density even for arbitrarily cold satellite surfaces. Sputter ejecta escaping from the parent body can form extensive neutral clouds within the magnetosphere. Ionization and dissociation within these neutral clouds can be dominant sources of low-energy plasma. The importance of these processes is discussed for the satellites and magnetospheres of Jupiter, Saturn and Uranus

Pointillist, Cyclical, and Overlapping: Multidimensional Facets of Time in Online Learning

Directory of Open Access Journals (Sweden)

Pekka Ihanainen

2011-11-01

Full Text Available A linear, sequential time conception based on in-person meetings and pedagogical activities is not enough for those who practice and hope to enhance contemporary education, particularly where online interactions are concerned. In this article, we propose a new model for understanding time in pedagogical contexts. Conceptual parts of the model will be employed as a “cultural technology” to help us relate to evolving phenomena, both physical and virtual. We label these constructs as pointillist, cyclical, and overlapping times.Pointillist time and learning takes place in “dots” of actions that consist of small, discrete moments (e.g., tweeting. Producing, receiving, and sharing ideas in this context are separate points in each actor’s timeline. Cyclical time and learning emerges from intensive periods, which are highly visible in online forums. This construct reveals itself through interactions that often exist in multiple online environments. Overlapping time and learning involves various configurations of linear, pointillist, and cyclical layers, which are mainly evident through the simultaneous uses of social communication technologies.Pointillist, cyclical, and overlapping time constructs enable new orientations for conceptualizing time in pedagogy. In this article we also introduce de-, re-, and en- modes of these pedagogies that connect with approaches to meet the needs of learners for individualization, personalization, and cyborgization.

Overlapping carbon pricing and renewable support schemes under political uncertainty: Global lessons from an Australian case study

International Nuclear Information System (INIS)

Shahnazari, Mahdi; McHugh, Adam; Maybee, Bryan; Whale, Jonathan

2017-01-01

Highlights: •Uncertainty over overlapping energy and climate policies affects investment choices. •An integrated real options and portfolio optimisation model is used in a case study. •Interacting carbon pricing and renewable supports can create private and social hedge. •Political uncertainty may justify overlapping carbon pricing and renewable supports. -- Abstract: The translation of a greenhouse gas (GHG) emissions reduction policy objective to the required investment in low emissions technologies may be hindered by political contest over the policy instruments employed to achieve it. Political contest may also result in enactment of overlapping policy instruments which, from a ‘policy purist’ perspective, may not appear well calibrated to a shared GHG emissions reduction objective. This paper reports insights gained from an integrated real options and portfolio optimisation model of electricity generation investment behaviour under political uncertainty over the futures of interacting carbon pricing and renewable portfolio standard (RPS) instruments. We compare modelling results and actual outcomes in Australia, where an emission reduction target has had bipartisan support but the means to achieve it has not, to test the assertion that overlapping policy instruments must always increase the social costs of GHG abatement. Results suggest that overlapping a politically contested carbon pricing policy with an RPS may result in a lower risk, renewable energy (RE) investment environment, as the overlap allows investors to hedge their portfolio against political uncertainty through RE additions. Consequently, GHG abatement objectives may be achieved at lower cost than would be the case without the policy interaction. The policies overlap can provide a ‘safety valve’ or ‘hedge’ to both private investors and policymakers when deep uncertainties over the future of energy and climate policies influence investment strategies.

Illusion induced overlapped optics.

Science.gov (United States)

Zang, XiaoFei; Shi, Cheng; Li, Zhou; Chen, Lin; Cai, Bin; Zhu, YiMing; Zhu, HaiBin

2014-01-13

The traditional transformation-based cloak seems like it can only hide objects by bending the incident electromagnetic waves around the hidden region. In this paper, we prove that invisible cloaks can be applied to realize the overlapped optics. No matter how many in-phase point sources are located in the hidden region, all of them can overlap each other (this can be considered as illusion effect), leading to the perfect optical interference effect. In addition, a singular parameter-independent cloak is also designed to obtain quasi-overlapped optics. Even more amazing of overlapped optics is that if N identical separated in-phase point sources covered with the illusion media, the total power outside the transformation region is N2I0 (not NI0) (I0 is the power of just one point source, and N is the number point sources), which seems violating the law of conservation of energy. A theoretical model based on interference effect is proposed to interpret the total power of these two kinds of overlapped optics effects. Our investigation may have wide applications in high power coherent laser beams, and multiple laser diodes, and so on.

Living as an LGBTQ adolescent and a parent’s child: Overlapping or separate experiences

Science.gov (United States)

Watson, Ryan J.; Eisenberg, Marla E.; Corliss, Heather L.; Porta, Carolyn M.

2017-01-01

It is well known that parental and community-based support are each related to healthy development in LGBTQ youth, but little research has explored the ways these contexts interact and overlap. Through go-along interviews (a method in which participants guide the interviewer around the community) with 66 youth in British Columbia, Massachusetts, and Minnesota, adolescents (aged 14–19 years) reported varying extent of overlap between their LGBTQ experiences and their parent-youth experiences; parents and youth each contributed to the extent of overlap. Youth who reported high overlap reported little need for resources outside their families but found resources easy to access if wanted. Youth who reported little overlap found it difficult to access resources. Findings suggest that in both research and practice, considering the extent to which youth feel they can express their authentic identity in multiple contexts may be more useful than simply evaluating parental acceptance or access to resources. PMID:28795897

Interactions between whey proteins and kaolinite surfaces

Energy Technology Data Exchange (ETDEWEB)

Barral, S. [Department of Chemical Engineering and Environmental Technology, University of Oviedo, Julian Claveria 8, 33006 Oviedo (Spain); Villa-Garcia, M.A. [Department of Organic and Inorganic Chemistry, University of Oviedo, Julian Claveria 8, 33006 Oviedo (Spain)], E-mail: mavg@uniovi.es; Rendueles, M. [Project Management Area, University of Oviedo, Independencia 13, 33004 Oviedo (Spain); Diaz, M. [Department of Chemical Engineering and Environmental Technology, University of Oviedo, Julian Claveria 8, 33006 Oviedo (Spain)

2008-07-15

The nature of the interactions between whey proteins and kaolinite surfaces was investigated by adsorption-desorption experiments at room temperature, performed at the isoelectric point (IEP) of the proteins and at pH 7. It was found that kaolinite is a strong adsorbent for proteins, reaching the maximum adsorption capacity at the IEP of each protein. At pH 7.0, the retention capacity decreased considerably. The adsorption isotherms showed typical Langmuir characteristics. X-ray diffraction data for the protein-kaolinite complexes showed that protein molecules were not intercalated in the mineral structure, but immobilized at the external surfaces and the edges of the kaolinite. Fourier transform IR results indicate the absence of hydrogen bonding between kaolinite surfaces and the polypeptide chain. The adsorption patterns appear to be related to electrostatic interactions, although steric effects should be also considered.

Interactions between whey proteins and kaolinite surfaces

International Nuclear Information System (INIS)

Barral, S.; Villa-Garcia, M.A.; Rendueles, M.; Diaz, M.

2008-01-01

The nature of the interactions between whey proteins and kaolinite surfaces was investigated by adsorption-desorption experiments at room temperature, performed at the isoelectric point (IEP) of the proteins and at pH 7. It was found that kaolinite is a strong adsorbent for proteins, reaching the maximum adsorption capacity at the IEP of each protein. At pH 7.0, the retention capacity decreased considerably. The adsorption isotherms showed typical Langmuir characteristics. X-ray diffraction data for the protein-kaolinite complexes showed that protein molecules were not intercalated in the mineral structure, but immobilized at the external surfaces and the edges of the kaolinite. Fourier transform IR results indicate the absence of hydrogen bonding between kaolinite surfaces and the polypeptide chain. The adsorption patterns appear to be related to electrostatic interactions, although steric effects should be also considered

Cross-Surface: Workshop on Interacting with Multi-Device Ecologies in the Wild

DEFF Research Database (Denmark)

Houben, Steven; Vermeulen, Jo; Klokmose, Clemens Nylandsted

2015-01-01

In this workshop, we will review and discuss opportunities, technical challenges and problems with cross-device interactions in interactive multi-surface and multi-device ecologies. We aim to bring together researchers and practitioners currently working on novel techniques for cross......-surface interactions, identify application domains and enabling technologies for cross-surface interactions in the wild, and establish a research community to develop effective strategies for successful design of cross-device interactions....

Lizard assemblage from a sand dune habitat from southeastern Brazil: a niche overlap analysis.

Science.gov (United States)

Winck, Gisele R; Hatano, Fabio; Vrcibradic, Davor; VAN Sluys, Monique; Rocha, Carlos F D

2016-01-01

Communities are structured by interactions of historical and ecological factors, which influence the use of different resources in time and space. We acquired data on time of activity, microhabitat use and diet of a lizard assemblage from a sand dune habitat in a coastal area, southeastern Brazil (Restinga de Jurubatiba). We analyzed the data of niche overlap among species in these three axes (temporal, spatial and trophic) using null models. We found a significant overlap within the trophic niche, whereas the overlap for the other axes did not differ from the expected. Based on this result, we discuss the factors acting on the structure of the local lizard community.

Surface diffusion studies by optical diffraction techniques

International Nuclear Information System (INIS)

Xiao, X.D.

1992-11-01

The newly developed optical techniques have been combined with either second harmonic (SH) diffraction or linear diffraction off a monolayer adsorbate grating for surface diffusion measurement. Anisotropy of surface diffusion of CO on Ni(l10) was used as a demonstration for the second harmonic dim reaction method. The linear diffraction method, which possesses a much higher sensitivity than the SH diffraction method, was employed to study the effect of adsorbate-adsorbate interaction on CO diffusion on Ni(l10) surface. Results showed that only the short range direct CO-CO orbital overlapping interaction influences CO diffusion but not the long range dipole-dipole and CO-NI-CO interactions. Effects of impurities and defects on surface diffusion were further explored by using linear diffraction method on CO/Ni(110) system. It was found that a few percent S impurity can alter the CO diffusion barrier height to a much higher value through changing the Ni(110) surface. The point defects of Ni(l10) surface seem to speed up CO diffusion significantly. A mechanism with long jumps over multiple lattice distance initiated by CO filled vacancy is proposed to explain the observed defect effect

The importance of predator–prey overlap: predicting North Sea cod recovery with a multispecies assessment model

DEFF Research Database (Denmark)

Kempf, Alexander; Dingsør, Gjert Endre; Huse, Geir

2010-01-01

The overlap between predator and prey is known as a sensitive parameter in multispecies assessment models for fish, and its parameterization is notoriously difficult. Overlap indices were derived from trawl surveys and used to parametrize the North Sea stochastic multispecies model. The effect...... of time-invariant and year- and quarter-specific overlap estimates on the historical (1991–2007) and predicted trophic interactions, as well as the development of predator and prey stocks, was investigated. The focus was set on a general comparison between single-species and multispecies forecasts...... and the sensitivity of the predicted development of North Sea cod for the two types of overlap implementation. The spatial–temporal overlap between cod and its predators increased with increasing temperature, indicating that foodweb processes might reduce the recovery potential of cod during warm periods...

Overlapping structures in sensory-motor mappings.

Directory of Open Access Journals (Sweden)

Kevin Earland

Full Text Available This paper examines a biologically-inspired representation technique designed for the support of sensory-motor learning in developmental robotics. An interesting feature of the many topographic neural sheets in the brain is that closely packed receptive fields must overlap in order to fully cover a spatial region. This raises interesting scientific questions with engineering implications: e.g. is overlap detrimental? does it have any benefits? This paper examines the effects and properties of overlap between elements arranged in arrays or maps. In particular we investigate how overlap affects the representation and transmission of spatial location information on and between topographic maps. Through a series of experiments we determine the conditions under which overlap offers advantages and identify useful ranges of overlap for building mappings in cognitive robotic systems. Our motivation is to understand the phenomena of overlap in order to provide guidance for application in sensory-motor learning robots.

Interaction between liquid droplets and heated surface

Energy Technology Data Exchange (ETDEWEB)

Nigmatulin, B I [Research and Engineering Centre, LWR Nuclear Plants Safety, Elektrogorsk (Russian Federation); Vasiliev, N I [Research and Engineering Centre, LWR Nuclear Plants Safety, Elektrogorsk (Russian Federation); Guguchkin, V V [Research and Engineering Centre, LWR Nuclear Plants Safety, Elektrogorsk (Russian Federation)

1993-06-01

In this paper, experimental methods and investigation results of interaction between droplets of different liquids and a heated surface are presented. Wetted area, contact time period and transition boundary from wetted to non-wetted interaction regimes are experimentally evaluated. A simple connection of the wetted area value and contact time period with the heat removal efficiency is shown. (orig.)

Electron emission during multicharged ion-metal surface interactions

International Nuclear Information System (INIS)

Zeijlmans van Emmichoven, P.A.; Havener, C.C.; Hughes, I.G.; Overbury, S.H.; Robinson, M.T.; Zehner, D.M.; Meyer, F.W.

1992-01-01

The electron emission during multicharged ion-metal surface interactions will be discussed. The interactions lead to the emission of a significant number of electrons. Most of these electrons have energies below 30 eV. For incident ions with innershell vacancies the emission of Auger electrons that fill these vacancies has been found to occur mainly below the surface. We will present recently measured electron energy distributions which will be used to discuss the mechanisms that lead to the emission of Auger and of low-energy electrons

Norm overlap between many-body states: Uncorrelated overlap between arbitrary Bogoliubov product states

Science.gov (United States)

Bally, B.; Duguet, T.

2018-02-01

Background: State-of-the-art multi-reference energy density functional calculations require the computation of norm overlaps between different Bogoliubov quasiparticle many-body states. It is only recently that the efficient and unambiguous calculation of such norm kernels has become available under the form of Pfaffians [L. M. Robledo, Phys. Rev. C 79, 021302 (2009), 10.1103/PhysRevC.79.021302]. Recently developed particle-number-restored Bogoliubov coupled-cluster (PNR-BCC) and particle-number-restored Bogoliubov many-body perturbation (PNR-BMBPT) ab initio theories [T. Duguet and A. Signoracci, J. Phys. G 44, 015103 (2017), 10.1088/0954-3899/44/1/015103] make use of generalized norm kernels incorporating explicit many-body correlations. In PNR-BCC and PNR-BMBPT, the Bogoliubov states involved in the norm kernels differ specifically via a global gauge rotation. Purpose: The goal of this work is threefold. We wish (i) to propose and implement an alternative to the Pfaffian method to compute unambiguously the norm overlap between arbitrary Bogoliubov quasiparticle states, (ii) to extend the first point to explicitly correlated norm kernels, and (iii) to scrutinize the analytical content of the correlated norm kernels employed in PNR-BMBPT. Point (i) constitutes the purpose of the present paper while points (ii) and (iii) are addressed in a forthcoming paper. Methods: We generalize the method used in another work [T. Duguet and A. Signoracci, J. Phys. G 44, 015103 (2017), 10.1088/0954-3899/44/1/015103] in such a way that it is applicable to kernels involving arbitrary pairs of Bogoliubov states. The formalism is presently explicated in detail in the case of the uncorrelated overlap between arbitrary Bogoliubov states. The power of the method is numerically illustrated and benchmarked against known results on the basis of toy models of increasing complexity. Results: The norm overlap between arbitrary Bogoliubov product states is obtained under a closed

Fungal-host diversity among mycoheterotrophic plants increases proportionally to their fungal-host overlap.

Science.gov (United States)

Gomes, Sofia I F; Merckx, Vincent S F T; Saavedra, Serguei

2017-05-01

The vast majority of plants obtain an important proportion of vital resources from soil through mycorrhizal fungi. Generally, this happens in exchange of photosynthetically fixed carbon, but occasionally the interaction is mycoheterotrophic, and plants obtain carbon from mycorrhizal fungi. This process results in an antagonistic interaction between mycoheterotrophic plants and their fungal hosts. Importantly, the fungal-host diversity available for plants is restricted as mycoheterotrophic interactions often involve narrow lineages of fungal hosts. Unfortunately, little is known whether fungal-host diversity may be additionally modulated by plant-plant interactions through shared hosts. Yet, this may have important implications for plant competition and coexistence. Here, we use DNA sequencing data to investigate the interaction patterns between mycoheterotrophic plants and arbuscular mycorrhizal fungi. We find no phylogenetic signal on the number of fungal hosts nor on the fungal hosts shared among mycoheterotrophic plants. However, we observe a potential trend toward increased phylogenetic diversity of fungal hosts among mycoheterotrophic plants with increasing overlap in their fungal hosts. While these patterns remain for groups of plants regardless of location, we do find higher levels of overlap and diversity among plants from the same location. These findings suggest that species coexistence cannot be fully understood without attention to the two sides of ecological interactions.

Elastic interaction between surface and spherical pore

International Nuclear Information System (INIS)

Ganeev, G.Z.; Kadyrzhanov, K.K.; Kislitsyn, S.B.; Turkebaev, T.Eh.

2000-01-01

The energy of elastic interaction of a gas-filled spherical cavity with a boundary of an elastic isotropic half-space is determined. The elastic field of a system of a spherical cavity - boundary is represented as an expansion in series of potential functions. The factors of expansions are determined by boundary conditions on a free surface of an elastic half-space and on a spherical surface of a cavity with pressure of gas P. Function of a Tresca-Miesesa on a surface of elastic surface is defined additionally with purpose creep condition determination caused by gas pressure in the cavity. (author)

Influence of World and Gravity Model Selection on Surface Interacting Vehicle Simulations

Science.gov (United States)

Madden, Michael M.

2007-01-01

A vehicle simulation is surface-interacting if the state of the vehicle (position, velocity, and acceleration) relative to the surface is important. Surface-interacting simulations perform ascent, entry, descent, landing, surface travel, or atmospheric flight. Modeling of gravity is an influential environmental factor for surface-interacting simulations. Gravity is the free-fall acceleration observed from a world-fixed frame that rotates with the world. Thus, gravity is the sum of gravitation and the centrifugal acceleration due to the world s rotation. In surface-interacting simulations, the fidelity of gravity at heights above the surface is more significant than gravity fidelity at locations in inertial space. A surface-interacting simulation cannot treat the gravity model separately from the world model, which simulates the motion and shape of the world. The world model's simulation of the world's rotation, or lack thereof, produces the centrifugal acceleration component of gravity. The world model s reproduction of the world's shape will produce different positions relative to the world center for a given height above the surface. These differences produce variations in the gravitation component of gravity. This paper examines the actual performance of world and gravity/gravitation pairs in a simulation using the Earth.

An intermolecular perturbation theory for the region of moderate overlap

International Nuclear Information System (INIS)

Hayes, I.C.; Stone, A.J.

1984-01-01

A perturbational method is described for calculating the interaction energy of two molecules in the region where the overlap between their wave-functions is significant. By working directly with a basis of determinants constructed from the SCF orbitals of the separated molecules, without orthogonalization, it is possible to avoid many of the disadvantages of other methods. (author)

Lizard assemblage from a sand dune habitat from southeastern Brazil: a niche overlap analysis

Directory of Open Access Journals (Sweden)

GISELE R. WINCK

2016-01-01

Full Text Available ABSTRACT Communities are structured by interactions of historical and ecological factors, which influence the use of different resources in time and space. We acquired data on time of activity, microhabitat use and diet of a lizard assemblage from a sand dune habitat in a coastal area, southeastern Brazil (Restinga de Jurubatiba. We analyzed the data of niche overlap among species in these three axes (temporal, spatial and trophic using null models. We found a significant overlap within the trophic niche, whereas the overlap for the other axes did not differ from the expected. Based on this result, we discuss the factors acting on the structure of the local lizard community.

Sikorsky interactive graphics surface design/manufacturing system

Science.gov (United States)

Robbins, R.

1975-01-01

An interactive graphics system conceived to be used in the design, analysis, and manufacturing of aircraft components with free form surfaces was described. In addition to the basic surface definition and viewing capabilities inherent in such a system, numerous other features are present: surface editing, automated smoothing of control curves, variable milling patch boundary definitions, surface intersection definition and viewing, automatic creation of true offset surfaces, digitizer and drafting machine interfaces, and cutter path optimization. Documented costs and time savings of better than six to one are being realized with this system. The system was written in FORTRAN and GSP for use on IBM 2250 CRT's in conjunction with an IBM 370/158 computer.

Improving surface acousto-optical interaction by high aspect ratio electrodes

DEFF Research Database (Denmark)

Dühring, Maria Bayard; Laude, Vincent; Khelif, Abdelkrim

2009-01-01

The acousto-optical interaction of an optical wave confined inside a waveguide and a surface acoustic wave launched by an interdigital transducer (IDT) at the surface of a piezoelectric material is considered. The IDT with high aspect ratio electrodes supports several acoustic modes that are stro......The acousto-optical interaction of an optical wave confined inside a waveguide and a surface acoustic wave launched by an interdigital transducer (IDT) at the surface of a piezoelectric material is considered. The IDT with high aspect ratio electrodes supports several acoustic modes...

Anomalous water dynamics at surfaces and interfaces: synergistic effects of confinement and surface interactions

Science.gov (United States)

Biswas, Rajib; Bagchi, Biman

2018-01-01

In nature, water is often found in contact with surfaces that are extended on the scale of molecule size but small on a macroscopic scale. Examples include lipid bilayers and reverse micelles as well as biomolecules like proteins, DNA and zeolites, to name a few. While the presence of surfaces and interfaces interrupts the continuous hydrogen bond network of liquid water, confinement on a mesoscopic scale introduces new features. Even when extended on a molecular scale, natural and biological surfaces often have features (like charge, hydrophobicity) that vary on the scale of the molecular diameter of water. As a result, many new and exotic features, which are not seen in the bulk, appear in the dynamics of water close to the surface. These different behaviors bear the signature of both water-surface interactions and of confinement. In other words, the altered properties are the result of the synergistic effects of surface-water interactions and confinement. Ultrafast spectroscopy, theoretical modeling and computer simulations together form powerful synergistic approaches towards an understanding of the properties of confined water in such systems as nanocavities, reverse micelles (RMs), water inside and outside biomolecules like proteins and DNA, and also between two hydrophobic walls. We shall review the experimental results and place them in the context of theory and simulations. For water confined within RMs, we discuss the possible interference effects propagating from opposite surfaces. Similar interference is found to give rise to an effective attractive force between two hydrophobic surfaces immersed and kept fixed at a separation of d, with the force showing an exponential dependence on this distance. For protein and DNA hydration, we shall examine a multitude of timescales that arise from frustration effects due to the inherent heterogeneity of these surfaces. We pay particular attention to the role of orientational correlations and modification of the

Jet-Surface Interaction - High Aspect Ratio Nozzle Test: Test Summary

Science.gov (United States)

Brown, Clifford A.

2016-01-01

The Jet-Surface Interaction High Aspect Ratio Nozzle Test was conducted in the Aero-Acoustic Propulsion Laboratory at the NASA Glenn Research Center in the fall of 2015. There were four primary goals specified for this test: (1) extend the current noise database for rectangular nozzles to higher aspect ratios, (2) verify data previously acquired at small-scale with data from a larger model, (3) acquired jet-surface interaction noise data suitable for creating verifying empirical noise models and (4) investigate the effect of nozzle septa on the jet-mixing and jet-surface interaction noise. These slides give a summary of the test with representative results for each goal.

Efficient methods for overlapping group lasso.

Science.gov (United States)

Yuan, Lei; Liu, Jun; Ye, Jieping

2013-09-01

The group Lasso is an extension of the Lasso for feature selection on (predefined) nonoverlapping groups of features. The nonoverlapping group structure limits its applicability in practice. There have been several recent attempts to study a more general formulation where groups of features are given, potentially with overlaps between the groups. The resulting optimization is, however, much more challenging to solve due to the group overlaps. In this paper, we consider the efficient optimization of the overlapping group Lasso penalized problem. We reveal several key properties of the proximal operator associated with the overlapping group Lasso, and compute the proximal operator by solving the smooth and convex dual problem, which allows the use of the gradient descent type of algorithms for the optimization. Our methods and theoretical results are then generalized to tackle the general overlapping group Lasso formulation based on the l(q) norm. We further extend our algorithm to solve a nonconvex overlapping group Lasso formulation based on the capped norm regularization, which reduces the estimation bias introduced by the convex penalty. We have performed empirical evaluations using both a synthetic and the breast cancer gene expression dataset, which consists of 8,141 genes organized into (overlapping) gene sets. Experimental results show that the proposed algorithm is more efficient than existing state-of-the-art algorithms. Results also demonstrate the effectiveness of the nonconvex formulation for overlapping group Lasso.

Atmosphere-surface interactions over polar oceans and heterogeneous surfaces

Energy Technology Data Exchange (ETDEWEB)

Vihma, T.

1995-12-31

Processes of interaction between the atmospheric boundary layer and the planetary surface have been studied with special emphasis on polar ocean surfaces: the open ocean, leads, polynyas and sea ice. The local exchange of momentum, heat and moisture has been studied experimentally both in the Weddell Sea and in the Greenland Sea. Exchange processes over heterogeneous surfaces are addressed by modelling studies. Over a homogeneous surface, the local turbulent fluxes can be reasonably well estimated using an iterative flux-profile scheme based on the Monin-Obukhov similarity theory. In the Greenland Sea, the near-surface air temperature and the generally small turbulent fluxes over the open ocean were affected by the sea surface temperature fronts. Over the sea ice cover in the Weddell Sea, the turbulent sensible heat flux was generally downwards, and together with an upward oceanic heat flux through the ice it compensated the heat loss from the surface via long-wave radiation. The wind dominated on time scales of days, while the current became important on longer time scales. The drift dynamics showed apparent spatial differences between the eastern and western regions, as well as between the Antarctic Circumpolar Current and the rest of the Weddell Sea. Inertial motion was present in regions of low ice concentration. The surface heterogeneity, arising e.g. from roughness or temperature distribution, poses a problem for the parameterization of surface exchange processes in large-scale models. In the case of neutral flow over a heterogeneous terrain, an effective roughness length can be used to parameterize the roughness effects

Atmosphere-surface interactions over polar oceans and heterogeneous surfaces

Energy Technology Data Exchange (ETDEWEB)

Vihma, T

1996-12-31

Processes of interaction between the atmospheric boundary layer and the planetary surface have been studied with special emphasis on polar ocean surfaces: the open ocean, leads, polynyas and sea ice. The local exchange of momentum, heat and moisture has been studied experimentally both in the Weddell Sea and in the Greenland Sea. Exchange processes over heterogeneous surfaces are addressed by modelling studies. Over a homogeneous surface, the local turbulent fluxes can be reasonably well estimated using an iterative flux-profile scheme based on the Monin-Obukhov similarity theory. In the Greenland Sea, the near-surface air temperature and the generally small turbulent fluxes over the open ocean were affected by the sea surface temperature fronts. Over the sea ice cover in the Weddell Sea, the turbulent sensible heat flux was generally downwards, and together with an upward oceanic heat flux through the ice it compensated the heat loss from the surface via long-wave radiation. The wind dominated on time scales of days, while the current became important on longer time scales. The drift dynamics showed apparent spatial differences between the eastern and western regions, as well as between the Antarctic Circumpolar Current and the rest of the Weddell Sea. Inertial motion was present in regions of low ice concentration. The surface heterogeneity, arising e.g. from roughness or temperature distribution, poses a problem for the parameterization of surface exchange processes in large-scale models. In the case of neutral flow over a heterogeneous terrain, an effective roughness length can be used to parameterize the roughness effects

Interaction of energetic particles with polymer surfaces: surface morphology development and sputtered polymer-fragment ion analysis

International Nuclear Information System (INIS)

Michael, R.S.

1987-01-01

The core of this thesis is based on a series of papers that have been published or will soon be published in which the various processes taking place in the energetic particle-polymer surface interaction scene is investigated. Results presented show different developments on polymer surfaces when compared to the vast experimental data on energetic particle-metal surface interactions. The surface morphology development depends on the physical characteristics of the polymer. Sputtering yields of fluoropolymers were several orders higher than the sputtering yields of aliphatic and aromatic polymers. Depending on the chemical nature of the polymer, the surface morphology development was dependent upon the extent of radiation-damage accumulation. Fast Atom Bombardment Mass Spectrometry at low and high resolution was applied to the characterization of sputtered polymer fragment ions. Fragment ions and their intensities were used to identify polymer samples, observe radiation damage accumulation and probe polymer-polymer interface of a polymer-polymer sandwich structure. A model was proposed which attempts to explain the nature of processes involved in the energetic particle-polymer surface interaction region

Protein-surface interactions on stimuli-responsive polymeric biomaterials.

Science.gov (United States)

Cross, Michael C; Toomey, Ryan G; Gallant, Nathan D

2016-03-04

Responsive surfaces: a review of the dependence of protein adsorption on the reversible volume phase transition in stimuli-responsive polymers. Specifically addressed are a widely studied subset: thermoresponsive polymers. Findings are also generalizable to other materials which undergo a similarly reversible volume phase transition. As of 2015, over 100,000 articles have been published on stimuli-responsive polymers and many more on protein-biomaterial interactions. Significantly, fewer than 100 of these have focused specifically on protein interactions with stimuli-responsive polymers. These report a clear trend of increased protein adsorption in the collapsed state compared to the swollen state. This control over protein interactions makes stimuli-responsive polymers highly useful in biomedical applications such as wound repair scaffolds, on-demand drug delivery, and antifouling surfaces. Outstanding questions are whether the protein adsorption is reversible with the volume phase transition and whether there is a time-dependence. A clear understanding of protein interactions with stimuli-responsive polymers will advance theoretical models, experimental results, and biomedical applications.

An overlapping region between the two terminal folding units of the outer surface protein A (OspA) controls its folding behavior.

Science.gov (United States)

Makabe, Koki; Nakamura, Takashi; Dhar, Debanjan; Ikura, Teikichi; Koide, Shohei; Kuwajima, Kunihiro

2018-04-27

Although many naturally occurring proteins consist of multiple domains, most studies on protein folding to date deal with single-domain proteins or isolated domains of multi-domain proteins. Studies of multi-domain protein folding are required for further advancing our understanding of protein folding mechanisms. Borrelia outer surface protein A (OspA) is a β-rich two-domain protein, in which two globular domains are connected by a rigid and stable single-layer β-sheet. Thus, OspA is particularly suited as a model system for studying the interplays of domains in protein folding. Here, we studied the equilibria and kinetics of the urea-induced folding-unfolding reactions of OspA probed with tryptophan fluorescence and ultraviolet circular dichroism. Global analysis of the experimental data revealed compelling lines of evidence for accumulation of an on-pathway intermediate during kinetic refolding and for the identity between the kinetic intermediate and a previously described equilibrium unfolding intermediate. The results suggest that the intermediate has the fully native structure in the N-terminal domain and the single layer β-sheet, with the C-terminal domain still unfolded. The observation of the productive on-pathway folding intermediate clearly indicates substantial interactions between the two domains mediated by the single-layer β-sheet. We propose that a rigid and stable intervening region between two domains creates an overlap between two folding units and can energetically couple their folding reactions. Copyright © 2018. Published by Elsevier Ltd.

Interaction of oxygen with zirconia surface

International Nuclear Information System (INIS)

Ivankiv, L.I.; Ketsman, I.V.

1999-01-01

The influence of surface heat treatment, electron (50-800) eV irradiation and UV (180-300) nM illumination of adsorption system on the state of oxygen adsorbed on zirconia surface have been investigated. On the basis of experimental results obtained by investigation of photon emission accompanying oxygen adsorption (AL) and TPD data existence of adsorption sites on the surface is suggested on which irreversible dissociative adsorption of oxygen occurs. These very sites are associated with emission processes Conclusion is made that the only type of adsorption sites connected with anion vacancy is present on zirconia surface and this is its charge state that determines the state of adsorbed oxygen. One of the important mechanisms by which the electron and UV photon excitation affects the adsorption interaction is the change of the charge state of the adsorption site

How long do satellites need to overlap? Evaluation of climate data stability from overlapping satellite records

Science.gov (United States)

Weatherhead, Elizabeth C.; Harder, Jerald; Araujo-Pradere, Eduardo A.; Bodeker, Greg; English, Jason M.; Flynn, Lawrence E.; Frith, Stacey M.; Lazo, Jeffrey K.; Pilewskie, Peter; Weber, Mark; Woods, Thomas N.

2017-12-01

Sensors on satellites provide unprecedented understanding of the Earth's climate system by measuring incoming solar radiation, as well as both passive and active observations of the entire Earth with outstanding spatial and temporal coverage. A common challenge with satellite observations is to quantify their ability to provide well-calibrated, long-term, stable records of the parameters they measure. Ground-based intercomparisons offer some insight, while reference observations and internal calibrations give further assistance for understanding long-term stability. A valuable tool for evaluating and developing long-term records from satellites is the examination of data from overlapping satellite missions. This paper addresses how the length of overlap affects the ability to identify an offset or a drift in the overlap of data between two sensors. Ozone and temperature data sets are used as examples showing that overlap data can differ by latitude and can change over time. New results are presented for the general case of sensor overlap by using Solar Radiation and Climate Experiment (SORCE) Spectral Irradiance Monitor (SIM) and Solar Stellar Irradiance Comparison Experiment (SOLSTICE) solar irradiance data as an example. To achieve a 1 % uncertainty in estimating the offset for these two instruments' measurement of the Mg II core (280 nm) requires approximately 5 months of overlap. For relative drift to be identified within 0.1 % yr-1 uncertainty (0.00008 W m-2 nm-1 yr-1), the overlap for these two satellites would need to be 2.5 years. Additional overlap of satellite measurements is needed if, as is the case for solar monitoring, unexpected jumps occur adding uncertainty to both offsets and drifts; the additional length of time needed to account for a single jump in the overlap data may be as large as 50 % of the original overlap period in order to achieve the same desired confidence in the stability of the merged data set. Results presented here are directly

XIX Conference on Plasma Surface Interactions

International Nuclear Information System (INIS)

Kurnaev, V A; Gasparyan, Yu M

2016-01-01

The 19 th Conference on Plasma Surface Interactions (PSI-2016) was held at National Research Nuclear University MEPhI (Moscow Engineering Physics Institute) on 28-29 January 2016. This is a traditional annual meeting organized by MEPhI for many years and devoted to the recent achievements of Russian scientists and foreign colleagues in experimental and computer simulations of plasma and its components' interactions with plasma faced materials (PFM) for fusion devices and plasma technologies. The conference agenda covered a broad list of topics including: • plasma induced erosion and modification of materials; • radiation damage in materials; • lithium and liquid metals as PFM; • modeling of plasma surface interaction and processes in SOL of tokamak plasma; • diagnostics of plasma-surface interaction. The aim of the conference was to present and discuss new results in PSI in a wide audience with different areas of expertise. The important feature of the conference is to give PhD and undergraduate students the opportunity for approbation of results of their scientific activity and improve their knowledge in the novel directions of R and D in the field of fusion and plasma technologies. In total, more than 80 experienced and young researchers participated in the conference. These Proceedings contain 21 papers selected for publication, which were reviewed by the invited international team of editors (T. Tanabe, S. Petrovich, Ch. Grisolia, Yu. Martynenko, S. Krasheninnikov, L. Begrambekov, A. Pisarev). The Conference as well as editing of this issue were supported by National Research Nuclear University MEPhI in the framework of the Russian Academic Excellence Project (contract No. 02.a03.21.0005, 27.08.2013). Finally, we would like to thank all of the speakers, participants and organizing committee members for their contribution to the conference. Acknowledgements The organizers of the conference would like to thank for the support from National Research

Protein-protein interaction site predictions with three-dimensional probability distributions of interacting atoms on protein surfaces.

Directory of Open Access Journals (Sweden)

Ching-Tai Chen

Full Text Available Protein-protein interactions are key to many biological processes. Computational methodologies devised to predict protein-protein interaction (PPI sites on protein surfaces are important tools in providing insights into the biological functions of proteins and in developing therapeutics targeting the protein-protein interaction sites. One of the general features of PPI sites is that the core regions from the two interacting protein surfaces are complementary to each other, similar to the interior of proteins in packing density and in the physicochemical nature of the amino acid composition. In this work, we simulated the physicochemical complementarities by constructing three-dimensional probability density maps of non-covalent interacting atoms on the protein surfaces. The interacting probabilities were derived from the interior of known structures. Machine learning algorithms were applied to learn the characteristic patterns of the probability density maps specific to the PPI sites. The trained predictors for PPI sites were cross-validated with the training cases (consisting of 432 proteins and were tested on an independent dataset (consisting of 142 proteins. The residue-based Matthews correlation coefficient for the independent test set was 0.423; the accuracy, precision, sensitivity, specificity were 0.753, 0.519, 0.677, and 0.779 respectively. The benchmark results indicate that the optimized machine learning models are among the best predictors in identifying PPI sites on protein surfaces. In particular, the PPI site prediction accuracy increases with increasing size of the PPI site and with increasing hydrophobicity in amino acid composition of the PPI interface; the core interface regions are more likely to be recognized with high prediction confidence. The results indicate that the physicochemical complementarity patterns on protein surfaces are important determinants in PPIs, and a substantial portion of the PPI sites can be predicted

Protein-Protein Interaction Site Predictions with Three-Dimensional Probability Distributions of Interacting Atoms on Protein Surfaces

Science.gov (United States)

Chen, Ching-Tai; Peng, Hung-Pin; Jian, Jhih-Wei; Tsai, Keng-Chang; Chang, Jeng-Yih; Yang, Ei-Wen; Chen, Jun-Bo; Ho, Shinn-Ying; Hsu, Wen-Lian; Yang, An-Suei

2012-01-01

Protein-protein interactions are key to many biological processes. Computational methodologies devised to predict protein-protein interaction (PPI) sites on protein surfaces are important tools in providing insights into the biological functions of proteins and in developing therapeutics targeting the protein-protein interaction sites. One of the general features of PPI sites is that the core regions from the two interacting protein surfaces are complementary to each other, similar to the interior of proteins in packing density and in the physicochemical nature of the amino acid composition. In this work, we simulated the physicochemical complementarities by constructing three-dimensional probability density maps of non-covalent interacting atoms on the protein surfaces. The interacting probabilities were derived from the interior of known structures. Machine learning algorithms were applied to learn the characteristic patterns of the probability density maps specific to the PPI sites. The trained predictors for PPI sites were cross-validated with the training cases (consisting of 432 proteins) and were tested on an independent dataset (consisting of 142 proteins). The residue-based Matthews correlation coefficient for the independent test set was 0.423; the accuracy, precision, sensitivity, specificity were 0.753, 0.519, 0.677, and 0.779 respectively. The benchmark results indicate that the optimized machine learning models are among the best predictors in identifying PPI sites on protein surfaces. In particular, the PPI site prediction accuracy increases with increasing size of the PPI site and with increasing hydrophobicity in amino acid composition of the PPI interface; the core interface regions are more likely to be recognized with high prediction confidence. The results indicate that the physicochemical complementarity patterns on protein surfaces are important determinants in PPIs, and a substantial portion of the PPI sites can be predicted correctly with

Modelling land surface - atmosphere interactions

DEFF Research Database (Denmark)

Rasmussen, Søren Højmark

representation of groundwater in the hydrological model is found to important and this imply resolving the small river valleys. Because, the important shallow groundwater is found in the river valleys. If the model does not represent the shallow groundwater then the area mean surface flux calculation......The study is investigates modelling of land surface – atmosphere interactions in context of fully coupled climatehydrological model. With a special focus of under what condition a fully coupled model system is needed. Regional climate model inter-comparison projects as ENSEMBLES have shown bias...... by the hydrological model is found to be insensitive to model resolution. Furthermore, this study highlights the effect of bias precipitation by regional climate model and it implications for hydrological modelling....

Interaction of alcohols with the calcite surface

DEFF Research Database (Denmark)

Bovet, Nicolas Emile; Yang, Mingjun; Javadi, Meshkat Sadat

2015-01-01

. Controlling their growth requires complex polysaccharides. Polysaccharide activity depends on the functionality of OH groups, so to simplify the system in order to get closer to a molecular level understanding, we investigated the interaction of OH from a suite of alcohols with clean, freshly cleaved calcite...... surfaces. X-ray photoelectron spectroscopy (XPS) provided binding energies and revealed the extent of surface coverage. Molecular dynamics (MD) simulations supplemented with information about molecule ordering, orientation and packing density. The results show that all alcohols studied bond...... with the calcite surface through the OH group, with their carbon chains sticking away in a standing-up orientation. Alcohol molecules are closely packed and form a well-ordered monolayer on the surface....

Computer simulation of biomolecule–biomaterial interactions at surfaces and interfaces

International Nuclear Information System (INIS)

Wang, Qun; Wang, Meng-hao; Lu, Xiong; Wang, Ke-feng; Zhang, Xing-dong; Liu, Yaling; Zhang, Hong-ping

2015-01-01

Biomaterial surfaces and interfaces are intrinsically complicated systems because they involve biomolecules, implanted biomaterials, and complex biological environments. It is difficult to understand the interaction mechanism between biomaterials and biomolecules through conventional experimental methods. Computer simulation is an effective way to study the interaction mechanism at the atomic and molecular levels. In this review, we summarized the recent studies on the interaction behaviors of biomolecules with three types of the most widely used biomaterials: hydroxyapatite (HA), titanium oxide (TiO 2 ), and graphene(G)/graphene oxide(GO). The effects of crystal forms, crystallographic planes, surface defects, doping atoms, and water environments on biomolecules adsorption are discussed in detail. This review provides valuable theoretical guidance for biomaterial designing and surface modification. (topical review)

Birth and death of gene overlaps in vertebrates

Directory of Open Access Journals (Sweden)

Makałowska Izabela

2007-10-01

Full Text Available Abstract Background Between five and fourteen per cent of genes in the vertebrate genomes do overlap sharing some intronic and/or exonic sequence. It was observed that majority of these overlaps are not conserved among vertebrate lineages. Although several mechanisms have been proposed to explain gene overlap origination the evolutionary basis of these phenomenon are still not well understood. Here, we present results of the comparative analysis of several vertebrate genomes. The purpose of this study was to examine overlapping genes in the context of their evolution and mechanisms leading to their origin. Results Based on the presence and arrangement of human overlapping genes orthologs in rodent and fish genomes we developed 15 theoretical scenarios of overlapping genes evolution. Analysis of these theoretical scenarios and close examination of genomic sequences revealed new mechanisms leading to the overlaps evolution and confirmed that many of the vertebrate gene overlaps are not conserved. This study also demonstrates that repetitive elements contribute to the overlapping genes origination and, for the first time, that evolutionary events could lead to the loss of an ancient overlap. Conclusion Birth as well as most probably death of gene overlaps occurred over the entire time of vertebrate evolution and there wasn't any rapid origin or 'big bang' in the course of overlapping genes evolution. The major forces in the gene overlaps origination are transposition and exaptation. Our results also imply that origin of overlapping genes is not an issue of saving space and contracting genomes size.

Study on hybrid heat source overlap welding of magnesium alloy AZ31B

International Nuclear Information System (INIS)

Liang, G.L.; Zhou, G.; Yuan, S.Q.

2009-01-01

The magnesium alloy AZ31B was overlap welded by hybrid welding (laser-tungsten inert gas arc). According to the hybrid welding interaction principle, a new heat source model, hybrid welding heat source model, was developed with finite element analysis. At the same time, using a high-temperature metallographical microscope, the macro-appearance and microstructure characteristics of the joint after hybrid overlap welding were studied. The results indicate that the hybrid welding was superior to the single tungsten inert gas welding or laser welding on the aspects of improving the utilized efficiency of the arc and enhancing the absorptivity of materials to laser energy. Due to the energy characteristics of hybrid overlap welding the macro-appearance of the joint was cup-shaped, the top weld showed the hybrid welding microstructure, while, the lower weld showed the typical laser welding microstructure

Study on hybrid heat source overlap welding of magnesium alloy AZ31B

Energy Technology Data Exchange (ETDEWEB)

Liang, G.L. [Department of Electromechanical Engineering, Tangshan College, Tangshan 063000 (China)], E-mail: guoliliang@sohu.com; Zhou, G. [School of Material Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Yuan, S.Q. [Department of Electromechanical Engineering, Tangshan College, Tangshan 063000 (China)

2009-01-15

The magnesium alloy AZ31B was overlap welded by hybrid welding (laser-tungsten inert gas arc). According to the hybrid welding interaction principle, a new heat source model, hybrid welding heat source model, was developed with finite element analysis. At the same time, using a high-temperature metallographical microscope, the macro-appearance and microstructure characteristics of the joint after hybrid overlap welding were studied. The results indicate that the hybrid welding was superior to the single tungsten inert gas welding or laser welding on the aspects of improving the utilized efficiency of the arc and enhancing the absorptivity of materials to laser energy. Due to the energy characteristics of hybrid overlap welding the macro-appearance of the joint was cup-shaped, the top weld showed the hybrid welding microstructure, while, the lower weld showed the typical laser welding microstructure.

Deformation analysis of a film-overlapped micro-pump membrane structure

International Nuclear Information System (INIS)

Lee, Fu-Shin; Wang, Pi-Wen; Chen, Chih-Hsiung

2008-01-01

A novel approach is developed to study a film-overlapped membrane structure. Meanwhile, the established model is employed to design the micro-pump membrane structure and to evaluate its pumping efficiency. Two-dimensional coupling effects between the overlapping actuator films and the deformable membrane are thoroughly investigated, including the influences on the membrane from the overlapping films' elongation effects, Poisson's ratio effects and shear strain effects. Overall deformations and interactions for the three-layer membrane structures are accurately calculated through exercising the developed model, in contrast to what difficulties are usually encountered in carrying out FEM methods with very thin elements meshed for the actuator films. Furthermore, this study demonstrates that the high stiffness of the actuating metal films needs to be reflected in the equivalent stiffness of the membrane structures, especially when the sizes of the actuator films become compatible with the sizes of the membranes. Hence, the optimal micro-pumping efficiency of a membrane structure is acquired upon exercising the developed model, and larger sizes of the actuating films do not definitely obtain larger pumping efficiencies for the electromagnetically actuated micro-pumps

Interaction of β-sheet folds with a gold surface.

Directory of Open Access Journals (Sweden)

Martin Hoefling

Full Text Available The adsorption of proteins on inorganic surfaces is of fundamental biological importance. Further, biomedical and nanotechnological applications increasingly use interfaces between inorganic material and polypeptides. Yet, the underlying adsorption mechanism of polypeptides on surfaces is not well understood and experimentally difficult to analyze. Therefore, we investigate here the interactions of polypeptides with a gold(111 surface using computational molecular dynamics (MD simulations with a polarizable gold model in explicit water. Our focus in this paper is the investigation of the interaction of polypeptides with β-sheet folds. First, we concentrate on a β-sheet forming model peptide. Second, we investigate the interactions of two domains with high β-sheet content of the biologically important extracellular matrix protein fibronectin (FN. We find that adsorption occurs in a stepwise mechanism both for the model peptide and the protein. The positively charged amino acid Arg facilitates the initial contact formation between protein and gold surface. Our results suggest that an effective gold-binding surface patch is overall uncharged, but contains Arg for contact initiation. The polypeptides do not unfold on the gold surface within the simulation time. However, for the two FN domains, the relative domain-domain orientation changes. The observation of a very fast and strong adsorption indicates that in a biological matrix, no bare gold surfaces will be present. Hence, the bioactivity of gold surfaces (like bare gold nanoparticles will critically depend on the history of particle administration and the proteins present during initial contact between gold and biological material. Further, gold particles may act as seeds for protein aggregation. Structural re-organization and protein aggregation are potentially of immunological importance.

Electrostatic energy and screened charge interaction near the surface of metals with different Fermi surface shape

Science.gov (United States)

Gabovich, A. M.; Il'chenko, L. G.; Pashitskii, E. A.; Romanov, Yu. A.

1980-04-01

Using the Poisson equation Green function for a self-consistent field in a spatially inhomogeneous system, expressions for the electrostatic energy and screened charge interaction near the surface of a semi-infinite metal and a thin quantizing film are derived. It is shown that the decrease law and Friedel oscillation amplitude of adsorbed atom indirect interaction are determined by the electron spectrum character and the Fermi surface shape. The results obtained enable us to explain, in particular, the submonolayer adsorbed film structure on the W and Mo surfaces.

MODELING THE INTERACTION OF AGROCHEMICALS WITH ENVIRONMENTAL SURFACES: PESTICIDES ON RUTILE AND ORGANO-RUTILE SURFACES

Science.gov (United States)

Non-bonded interactions between model pesticides and organo-mineral surfaces have been studied using molecular mechanical conformational calculations and molecular dynamics simulations. The minimum energy conformations and relative binding energies for the interaction of atrazine...

Modelling of energetic molecule-surface interactions

International Nuclear Information System (INIS)

Kerford, M.

2000-09-01

This thesis contains the results of molecular dynamics simulations of molecule-surface interactions, looking particularly at fullerene molecules and carbon surfaces. Energetic impacts of fullerene molecules on graphite create defect craters. The relationship between the parameters of the impacting molecule and the parameters of the crater axe examined and found to be a function of the energy and velocity of the impacting molecule. Less energetic fullerene molecules can be scattered from a graphite surface and the partitioning of energy after a scattering event is investigated. It is found that a large fraction of the kinetic energy retained after impact is translational energy, with a small fraction of rotational energy and a number of vibrational modes. At impact energies where the surface is not broken and at normal incidence, surface waves axe seen to occur. These waves axe used to develop a method of desorbing molecules from a graphite surface without damage to either the surface or the molecules being desorbed. A number of fullerene molecules are investigated and ways to increase the desorption yield are examined. It is found that this is a successful technique for desorbing large numbers of intact molecules from graphite. This technique could be used for desorbing intact molecules into a gas phase for mass spectrometric analysis. (author)

An extension to artifact-free projection overlaps

International Nuclear Information System (INIS)

Lin, Jianyu

2015-01-01

Purpose: In multipinhole single photon emission computed tomography, the overlapping of projections has been used to increase sensitivity. Avoiding artifacts in the reconstructed image associated with projection overlaps (multiplexing) is a critical issue. In our previous report, two types of artifact-free projection overlaps, i.e., projection overlaps that do not lead to artifacts in the reconstructed image, were formally defined and proved, and were validated via simulations. In this work, a new proposition is introduced to extend the previously defined type-II artifact-free projection overlaps so that a broader range of artifact-free overlaps is accommodated. One practical purpose of the new extension is to design a baffle window multipinhole system with artifact-free projection overlaps. Methods: First, the extended type-II artifact-free overlap was theoretically defined and proved. The new proposition accommodates the situation where the extended type-II artifact-free projection overlaps can be produced with incorrectly reconstructed portions in the reconstructed image. Next, to validate the theory, the extended-type-II artifact-free overlaps were employed in designing the multiplexing multipinhole spiral orbit imaging systems with a baffle window. Numerical validations were performed via simulations, where the corresponding 1-pinhole nonmultiplexing reconstruction results were used as the benchmark for artifact-free reconstructions. The mean square error (MSE) was the metric used for comparisons of noise-free reconstructed images. Noisy reconstructions were also performed as part of the validations. Results: Simulation results show that for noise-free reconstructions, the MSEs of the reconstructed images of the artifact-free multiplexing systems are very similar to those of the corresponding 1-pinhole systems. No artifacts were observed in the reconstructed images. Therefore, the testing results for artifact-free multiplexing systems designed using the

Leveraging disjoint communities for detecting overlapping community structure

International Nuclear Information System (INIS)

Chakraborty, Tanmoy

2015-01-01

Network communities represent mesoscopic structure for understanding the organization of real-world networks, where nodes often belong to multiple communities and form overlapping community structure in the network. Due to non-triviality in finding the exact boundary of such overlapping communities, this problem has become challenging, and therefore huge effort has been devoted to detect overlapping communities from the network.In this paper, we present PVOC (Permanence based Vertex-replication algorithm for Overlapping Community detection), a two-stage framework to detect overlapping community structure. We build on a novel observation that non-overlapping community structure detected by a standard disjoint community detection algorithm from a network has high resemblance with its actual overlapping community structure, except the overlapping part. Based on this observation, we posit that there is perhaps no need of building yet another overlapping community finding algorithm; but one can efficiently manipulate the output of any existing disjoint community finding algorithm to obtain the required overlapping structure. We propose a new post-processing technique that by combining with any existing disjoint community detection algorithm, can suitably process each vertex using a new vertex-based metric, called permanence, and thereby finds out overlapping candidates with their community memberships. Experimental results on both synthetic and large real-world networks show that PVOC significantly outperforms six state-of-the-art overlapping community detection algorithms in terms of high similarity of the output with the ground-truth structure. Thus our framework not only finds meaningful overlapping communities from the network, but also allows us to put an end to the constant effort of building yet another overlapping community detection algorithm. (paper)

The effect of neighbourhood definitions on spatio-temporal models of disease outbreaks: Separation distance versus range overlap.

Science.gov (United States)

Laffan, Shawn W; Wang, Zhaoyuan; Ward, Michael P

2011-12-01

The definition of the spatial relatedness between infectious and susceptible animal groups is a fundamental component of spatio-temporal modelling of disease outbreaks. A common neighbourhood definition for disease spread in wild and feral animal populations is the distance between the centroids of neighbouring group home ranges. This distance can be used to define neighbourhood interactions, and also to describe the probability of successful disease transmission. Key limitations of this approach are (1) that a susceptible neighbour of an infectious group with an overlapping home range - but whose centroid lies outside the home range of an infectious group - will not be considered for disease transmission, and (2) the degree of overlap between the home ranges is not taken into account for those groups with centroids inside the infectious home range. We assessed the impact of both distance-based and range overlap methods of disease transmission on model-predicted disease spread. Range overlap was calculated using home ranges modelled as circles. We used the Sirca geographic automata model, with the population data from a nine-county study area in Texas that we have previously described. For each method we applied 100 model repetitions, each of 100 time steps, to 30 index locations. The results show that the rate of disease spread for the range-overlap method is clearly less than the distance-based method, with median outbreaks modelled using the latter being 1.4-1.45 times larger. However, the two methods show similar overall trends in the area infected, and the range-overlap median (48 and 120 for cattle and pigs, respectively) falls within the 5th-95th percentile range of the distance-based method (0-96 and 0-252 for cattle and pigs, respectively). These differences can be attributed to the calculation of the interaction probabilities in the two methods, with overlap weights generally resulting in lower interaction probabilities. The definition of spatial

Spectral asymptotics of a strong δ′ interaction supported by a surface

International Nuclear Information System (INIS)

Exner, Pavel; Jex, Michal

2014-01-01

Highlights: • Attractive δ ′ interactions supported by a smooth surface are considered. • Surfaces can be either infinite and asymptotically planar, or compact and closed. • Spectral asymptotics is determined by the geometry of the interaction support. - Abstract: We derive asymptotic expansion for the spectrum of Hamiltonians with a strong attractive δ ′ interaction supported by a smooth surface in R 3 , either infinite and asymptotically planar, or compact and closed. Its second term is found to be determined by a Schrödinger type operator with an effective potential expressed in terms of the interaction support curvatures

Electric double layer interactions in bacterial adhesion to surfaces

NARCIS (Netherlands)

Poortinga, AT; Norde, W; Busscher, HJ; Bos, R.R.M.

2002-01-01

The DLVO (Derjaguin, Landau, Verwey, Overbeek) theory was originally developed to describe interactions between non-biological lyophobic colloids such as polystyrene particles, but is also used to describe bacterial adhesion to surfaces. Despite the differences between the surface of bacteria and

Interaction of ethanol and water with the {1014} surface of calcite

DEFF Research Database (Denmark)

Cooke, David; Gray, R J; Sand, K K

2010-01-01

Molecular dynamics simulations have been used to model the interaction between ethanol, water, and the {1014} surface of calcite. Our results demonstrate that a single ethanol molecule is able to form two interactions with the mineral surface (both Ca-O and O-H), resulting in a highly ordered, st...

The Character of the Solar Wind, Surface Interactions, and Water

Science.gov (United States)

Farrell, William M.

2011-01-01

We discuss the key characteristics of the proton-rich solar wind and describe how it may interact with the lunar surface. We suggest that solar wind can be both a source and loss of water/OH related volatiles, and review models showing both possibilities. Energy from the Sun in the form of radiation and solar wind plasma are in constant interaction with the lunar surface. As such, there is a solar-lunar energy connection, where solar energy and matter are continually bombarding the lunar surface, acting at the largest scale to erode the surface at 0.2 Angstroms per year via ion sputtering [1]. Figure 1 illustrates this dynamically Sun-Moon system.

Interaction of the Helium, Hydrogen, Air, Argon, and Nitrogen Bubbles with Graphite Surface in Water.

Science.gov (United States)

Bartali, Ruben; Otyepka, Michal; Pykal, Martin; Lazar, Petr; Micheli, Victor; Gottardi, Gloria; Laidani, Nadhira

2017-05-24

The interaction of the confined gas with solid surface immersed in water is a common theme of many important fields such as self-cleaning surface, gas storage, and sensing. For that reason, we investigated the gas-graphite interaction in the water medium. The graphite surface was prepared by mechanical exfoliation of highly oriented pyrolytic graphite (HOPG). The surface chemistry and morphology were studied by X-ray photoelectron spectroscopy, profilometry, and atomic force microscopy. The surface energy of HOPG was estimated by contact angle measurements using the Owens-Wendt method. The interaction of gases (Ar, He, H 2 , N 2 , and air) with graphite was studied by a captive bubble method, in which the gas bubble was in contact with the exfoliated graphite surface in water media. The experimental data were corroborated by molecular dynamics simulations and density functional theory calculations. The surface energy of HOPG equaled to 52.8 mJ/m 2 and more of 95% of the surface energy was attributed to dispersion interactions. The results on gas-surface interaction indicated that HOPG surface had gasphilic behavior for helium and hydrogen, while gasphobic behavior for argon and nitrogen. The results showed that the variation of the gas contact angle was related to the balance between the gas-surface and gas-gas interaction potentials. For helium and hydrogen the gas-surface interaction was particularly high compared to gas-gas interaction and this promoted the favorable interaction with graphite surface.

Habitat selection and overlap of Atlantic salmon and smallmouth bass juveniles in nursery streams

Science.gov (United States)

Wathen, G.; Coghlan, S.M.; Zydlewski, Joseph D.; Trial, J.G.

2011-01-01

Introduced smallmouth bass Micropterus dolomieu have invaded much of the historic freshwater habitat of Atlantic salmon Salmo salar in North America, yet little is known about the ecological interactions between the two species. We investigated the possibility of competition for habitat between age-0 Atlantic salmon and age-0 and age-1 smallmouth bass by means of in situ observations and a mesocosm experiment. We used snorkel observation to identify the degree and timing of overlap in habitat use in our in situ observations and to describe habitat shifts by Atlantic salmon in the presence of smallmouth bass in our mesocosm experiments. In late July 2008, we observed substantial overlap in the depths and mean water column velocities used by both species in sympatric in situ conditions and an apparent shift by age-0 Atlantic salmon to shallower water that coincided with the period of high overlap. In the mesocosm experiments, we detected no overlap or habitat shifts by age-0 Atlantic salmon in the presence age-1 smallmouth bass and low overlap and no habitat shifts of Atlantic salmon and age-0 smallmouth bass in fall 2009. In 2009, summer floods with sustained high flows and low temperatures resulted in the nearly complete reproductive failure of the smallmouth bass in our study streams, and we did not observe a midsummer habitat shift by Atlantic salmon similar to that seen in 2008. Although this prevented us from replicating our 2008 experiments under similar conditions, the virtual year-class failure of smallmouth bass itself is enlightening. We suggest that future studies incorporate the effects of varying temperature and discharge to determine how abiotic factors affect the interactions between these species and thus mediate the outcomes of potential competition.

Self-energies and the interactions of particles with surfaces

International Nuclear Information System (INIS)

Manson, J.R.; Ritchie, R.H.; Echenique, P.M.; Gras-Marti, A.

1987-01-01

We have in this paper reviewed the method of treating many-body problems by means of an effective interaction self-energy. We have developed an alternatvie approach to the self-energy which is simpler and more straight-forward than standard methods, and we have illustrated its use with two examples of a charge interacting with a metal surface. In each case the self-energy produces the classical image potential together with corrections due to quantum mechanical effects. This method has also been successfully applied to the problem of an atom interacting with a surface. Corrections to the Van der Waals dispersion force are obtained, and via the non-conservative imaginary parts to /summation//sub i/(z) we discuss transition rates and energy exchange. 14 refs., 1 fig

CH-π Interaction Driven Macroscopic Property Transition on Smart Polymer Surface

Science.gov (United States)

Li, Minmin; Qing, Guangyan; Xiong, Yuting; Lai, Yuekun; Sun, Taolei

2015-10-01

Life systems have evolved to utilize weak noncovalent interactions, particularly CH-π interaction, to achieve various biofunctions, for example cellular communication, immune response, and protein folding. However, for artificial materials, it remains a great challenge to recognize such weak interaction, further transform it into tunable macroscopic properties and realize special functions. Here we integrate monosaccharide-based CH-π receptor capable of recognizing aromatic peptides into a smart polymer with three-component “Recognition-Mediating-Function” design, and report the CH-π interaction driven surface property switching on smart polymer film, including wettability, adhesion, viscoelasticity and stiffness. Detailed studies indicate that, the CH-π interaction induces the complexation between saccharide unit and aromatic peptide, which breaks the initial amphiphilic balance of the polymer network, resulting in contraction-swelling conformational transition for polymer chains and subsequent dramatic switching in surface properties. This work not only presents a new approach to control the surface property of materials, but also points to a broader research prospect on CH-π interaction at a macroscopic level.

Strong coupling electrostatics for randomly charged surfaces: antifragility and effective interactions.

Science.gov (United States)

Ghodrat, Malihe; Naji, Ali; Komaie-Moghaddam, Haniyeh; Podgornik, Rudolf

2015-05-07

We study the effective interaction mediated by strongly coupled Coulomb fluids between dielectric surfaces carrying quenched, random monopolar charges with equal mean and variance, both when the Coulomb fluid consists only of mobile multivalent counterions and when it consists of an asymmetric ionic mixture containing multivalent and monovalent (salt) ions in equilibrium with an aqueous bulk reservoir. We analyze the consequences that follow from the interplay between surface charge disorder, dielectric and salt image effects, and the strong electrostatic coupling that results from multivalent counterions on the distribution of these ions and the effective interaction pressure they mediate between the surfaces. In a dielectrically homogeneous system, we show that the multivalent counterions are attracted towards the surfaces with a singular, disorder-induced potential that diverges logarithmically on approach to the surfaces, creating a singular but integrable counterion density profile that exhibits an algebraic divergence at the surfaces with an exponent that depends on the surface charge (disorder) variance. This effect drives the system towards a state of lower thermal 'disorder', one that can be described by a renormalized temperature, exhibiting thus a remarkable antifragility. In the presence of an interfacial dielectric discontinuity, the singular behavior of counterion density at the surfaces is removed but multivalent counterions are still accumulated much more strongly close to randomly charged surfaces as compared with uniformly charged ones. The interaction pressure acting on the surfaces displays in general a highly non-monotonic behavior as a function of the inter-surface separation with a prominent regime of attraction at small to intermediate separations. This attraction is caused directly by the combined effects from charge disorder and strong coupling electrostatics of multivalent counterions, which dominate the surface-surface repulsion due to

Optimization of control bank overlap for SMART

International Nuclear Information System (INIS)

Song, Jae Seung; Cho, Byung Oh; Zee, Sung Quun

1998-07-01

In the pressurized water reactor, control banks are operated by 40% effective core height overlap to avoid decrease of differential rod worth. This overlap does not effect on the core depletion history because the pressurized water reactor core operated at all rod out condition for the most of the operation time. For the boron free reactor SMART, however, one or more control banks are always inserted in the core to maintain critical condition, and the control bank overlap effects on the core depletion history. Since the cycle length of SMART is limited by three-dimensional core peaking factor at EOC, at which the control bank located at the core center is withdrawn, the cycle length of SMART is affected by the control bank overlap. In this report, the effect of control bank overlap on the core depletion history was evaluated. It is concluded that 60 cm control bank overlap corresponding to 30% effective core height was selected not to increase maximum peaking factor at EOC so that the control bank overlap does not affect the cycle length of the core. (author). 8 refs., 2 tabs., 19 figs

Spatial Overlap of Grey Seals and Fisheries in Irish Waters, Some New Insights Using Telemetry Technology and VMS.

Directory of Open Access Journals (Sweden)

M Cronin

Full Text Available Seals and humans often target the same food resource, leading to competition. This is of mounting concern with fish stocks in global decline. Grey seals were tracked from southeast Ireland, an area of mixed demersal and pelagic fisheries, and overlap with fisheries on the Celtic Shelf and Irish Sea was assessed. Overall, there was low overlap between the tagged seals and fisheries. However, when we separate active (e.g. trawls and passive gear (e.g. nets, lines fisheries, a different picture emerged. Overlap with active fisheries was no different from that expected under a random distribution, but overlap with passive fisheries was significantly higher. This suggests that grey seals may be targeting the same areas as passive fisheries and/or specifically targeting passive gear. There was variation in foraging areas between individual seals suggesting habitat partitioning to reduce intra-specific competition or potential individual specialisation in foraging behaviour. Our findings support other recent assertions that seal/fisheries interactions in Irish waters are an issue in inshore passive fisheries, most likely at the operational and individual level. This suggests that seal population management measures would be unjustifiable, and mitigation is best focused on minimizing interactions at nets.

Plasma surface interactions in controlled fusion devices

Energy Technology Data Exchange (ETDEWEB)

Ghendrih, Ph.; Becoulet, M.; Costanzo, L. [and others

2000-07-01

This report brings together all the contributions of EURATOM/CEA association to the 14. international conference on plasma surface interactions in controlled fusion devices. 24 papers are presented and they deal mainly with the ergodic divertor and the first wall of Tore-supra tokamak.

Plasma surface interactions in controlled fusion devices

International Nuclear Information System (INIS)

Ghendrih, Ph.; Becoulet, M.; Costanzo, L.

2000-07-01

This report brings together all the contributions of EURATOM/CEA association to the 14. international conference on plasma surface interactions in controlled fusion devices. 24 papers are presented and they deal mainly with the ergodic divertor and the first wall of Tore-supra tokamak

Adhesive friction for elastic-plastic contacting rough surfaces considering asperity interaction

International Nuclear Information System (INIS)

Sahoo, Prasanta

2006-01-01

The paper describes a theoretical study of adhesive friction at the contact between rough surfaces taking asperity interaction into consideration and using an elastic-plastic model of contact deformation that is based on an accurate finite element analysis of an elastic-plastic single asperity contact. The micro-contact model of asperity interactions, developed by Zhao and Chang, is integrated into the improved elastic-plastic rough surface adhesive contact analysis to consider the adhesive friction behaviour of rough surfaces. The model considers a large range of interference values from fully elastic through elastic-plastic to fully plastic regimes of contacting asperities. Two well-established adhesion indices are used to consider different conditions that arise as a result of varying load, surface and material parameters. Results are obtained for the coefficient of friction against applied load for various combinations of these parameters. The results show that the coefficient of friction depends strongly on the applied load for the no-interaction case while it becomes insensitive to the load for interaction consideration. Moreover, the inclusion of elastic-plastic asperities further reduces the friction coefficient

DFT study on the galvanic interaction between pyrite (100) and galena (100) surfaces

International Nuclear Information System (INIS)

Ke, Baolin; Li, Yuqiong; Chen, Jianhua; Zhao, Cuihua; Chen, Ye

2016-01-01

Graphical abstract: - Highlights: • Galvanic interaction is weakened with the increase of contact distance. • Electronic transfer mainly occurs on the contact layers. • Galvanic effect enhances nucleophilicity of galena and electrophilicity of pyrite. • Presence of H_2O increases the galvanic interaction. - Abstract: The galvanic interaction between pyrite and galena surface has been investigated using density functional theory (DFT) method. The calculated results show that galvanic interactions between pyrite and galena surface are decreased with the increase of contact distance. The galvanic interactions still occurs even the distance larger than the sum of two atoms radius (≈2.8 Å), and the limit distance of galvanic interaction between galena and pyrite surface is about 10 Å, which is consistent with the quantum tunneling effect. Through Mulliken charge population calculation, it is found that electrons transfer from galena to pyrite. For galena surface, Pb 6s and 6p states lose electrons and S 3p state loses a small amount of electrons, which causes the electron loss of galena. For pyrite surface, Fe 4p state obtains large numbers of electrons, resulting in the decrease of positive charge of Fe atom. However, the 3p state of S atom loses a small numbers of electrons. The reactivity of mineral surface has also been studied by calculating the frontier orbitals of minerals. Results suggest that the highest occupied molecular orbital (HOMO) coefficients of galena are increased whereas those of pyrite are decreased with the enhancing galvanic interaction, indicating that the oxidation of galena surface would be enhanced due to the galvanic interaction. The Fukui indices and dual descriptor values of surface atoms suggest that the nucleophilicity of the galena surface increases, meanwhile, the electrophilicity of pyrite surface increases with the decrease of the contact distance. In addition, the density of states (DOS) of atoms results show that the

Topological susceptibility from the overlap

International Nuclear Information System (INIS)

Del Debbio, Luigi; Pica, Claudio

2004-01-01

The chiral symmetry at finite lattice spacing of Ginsparg-Wilson fermionic actions constrains the renormalization of the lattice operators; in particular, the topological susceptibility does not require any renormalization, when using a fermionic estimator to define the topological charge. Therefore, the overlap formalism appears as an appealing candidate to study the continuum limit of the topological susceptibility while keeping the systematic errors under theoretical control. We present results for the SU(3) pure gauge theory using the index of the overlap Dirac operator to study the topology of the gauge configurations. The topological charge is obtained from the zero modes of the overlap and using a new algorithm for the spectral flow analysis. A detailed comparison with cooling techniques is presented. Particular care is taken in assessing the systematic errors. Relatively high statistics (500 to 1000 independent configurations) yield an extrapolated continuum limit with errors that are comparable with other methods. Our current value from the overlap is χ 1/4 = 188±12±5MeV (author)

Prediction of peak overlap in NMR spectra

International Nuclear Information System (INIS)

Hefke, Frederik; Schmucki, Roland; Güntert, Peter

2013-01-01

Peak overlap is one of the major factors complicating the analysis of biomolecular NMR spectra. We present a general method for predicting the extent of peak overlap in multidimensional NMR spectra and its validation using both, experimental data sets and Monte Carlo simulation. The method is based on knowledge of the magnetization transfer pathways of the NMR experiments and chemical shift statistics from the Biological Magnetic Resonance Data Bank. Assuming a normal distribution with characteristic mean value and standard deviation for the chemical shift of each observable atom, an analytic expression was derived for the expected overlap probability of the cross peaks. The analytical approach was verified to agree with the average peak overlap in a large number of individual peak lists simulated using the same chemical shift statistics. The method was applied to eight proteins, including an intrinsically disordered one, for which the prediction results could be compared with the actual overlap based on the experimentally measured chemical shifts. The extent of overlap predicted using only statistical chemical shift information was in good agreement with the overlap that was observed when the measured shifts were used in the virtual spectrum, except for the intrinsically disordered protein. Since the spectral complexity of a protein NMR spectrum is a crucial factor for protein structure determination, analytical overlap prediction can be used to identify potentially difficult proteins before conducting NMR experiments. Overlap predictions can be tailored to particular classes of proteins by preparing statistics from corresponding protein databases. The method is also suitable for optimizing recording parameters and labeling schemes for NMR experiments and improving the reliability of automated spectra analysis and protein structure determination.

Mapping of immunogenic and protein-interacting regions at the surface of the seven-bladed β-propeller domain of the HIV-1 cellular interactor EED

Directory of Open Access Journals (Sweden)

Gouet Patrice

2008-02-01

Full Text Available Abstract Background The human EED protein, a member of the superfamily of Polycomb group proteins, is involved in multiple cellular protein complexes. Its C-terminal domain, which is common to the four EED isoforms, contains seven repeats of a canonical WD-40 motif. EED is an interactor of three HIV-1 proteins, matrix (MA, integrase (IN and Nef. An antiviral activity has been found to be associated with isoforms EED3 and EED4 at the late stage of HIV-1 replication, due to a negative effect on virus assembly and genomic RNA packaging. The aim of the present study was to determine the regions of the EED C-terminal core domain which were accessible and available to protein interactions, using three-dimensional (3D protein homology modelling with a WD-40 protein of known structure, and epitope mapping of anti-EED antibodies. Results Our data suggested that the C-terminal domain of EED was folded as a seven-bladed β-propeller protein. During the completion of our work, crystallographic data of EED became available from co-crystals of the EED C-terminal core with the N-terminal domain of its cellular partner EZH2. Our 3D-model was in good congruence with the refined structural model determined from crystallographic data, except for a unique α-helix in the fourth β-blade. More importantly, the position of flexible loops and accessible β-strands on the β-propeller was consistent with our mapping of immunogenic epitopes and sites of interaction with HIV-1 MA and IN. Certain immunoreactive regions were found to overlap with the EZH2, MA and IN binding sites, confirming their accessibility and reactivity at the surface of EED. Crystal structure of EED showed that the two discrete regions of interaction with MA and IN did not overlap with each other, nor with the EZH2 binding pocket, but were contiguous, and formed a continuous binding groove running along the lateral face of the β-propeller. Conclusion Identification of antibody-, MA-, IN- and EZH2

Attractive interaction between an atom and a surface

International Nuclear Information System (INIS)

Manson, J.R.; Ritchie, R.H.

1983-01-01

Using a general self-energy formalism we examine the interaction between an atom and a surface. Considered in detail are deviations from the Van der Waals force due to recoil and finite velocity of the particle. Calculations for positronium near a metal surface show that for such systems recoil and velocity effects are significant even at very low energies. We also examine the mechanisms for energy exchange with the surface and calculations show that single quantum events do not always dominate the exchange rates. 8 references, 2 figures

Areas activated during naturalistic reading comprehension overlap topological visual, auditory, and somatotomotor maps.

Science.gov (United States)

Sood, Mariam R; Sereno, Martin I

2016-08-01

Cortical mapping techniques using fMRI have been instrumental in identifying the boundaries of topological (neighbor-preserving) maps in early sensory areas. The presence of topological maps beyond early sensory areas raises the possibility that they might play a significant role in other cognitive systems, and that topological mapping might help to delineate areas involved in higher cognitive processes. In this study, we combine surface-based visual, auditory, and somatomotor mapping methods with a naturalistic reading comprehension task in the same group of subjects to provide a qualitative and quantitative assessment of the cortical overlap between sensory-motor maps in all major sensory modalities, and reading processing regions. Our results suggest that cortical activation during naturalistic reading comprehension overlaps more extensively with topological sensory-motor maps than has been heretofore appreciated. Reading activation in regions adjacent to occipital lobe and inferior parietal lobe almost completely overlaps visual maps, whereas a significant portion of frontal activation for reading in dorsolateral and ventral prefrontal cortex overlaps both visual and auditory maps. Even classical language regions in superior temporal cortex are partially overlapped by topological visual and auditory maps. By contrast, the main overlap with somatomotor maps is restricted to a small region on the anterior bank of the central sulcus near the border between the face and hand representations of M-I. Hum Brain Mapp 37:2784-2810, 2016. © 2016 The Authors Human Brain Mapping Published by Wiley Periodicals, Inc. © 2016 The Authors Human Brain Mapping Published by Wiley Periodicals, Inc.

Toward stimulated interaction of surface phonon polaritons

Energy Technology Data Exchange (ETDEWEB)

Kong, B. D.; Trew, R. J.; Kim, K. W., E-mail: kwk@ncsu.edu [Department of Electrical and Computer Engineering, North Carolina State University, Raleigh, North Carolina 27695-7911 (United States)

2013-12-21

Thermal emission spectra mediated by surface phonon polariton are examined by using a theoretical model that accounts for generation processes. Specifically, the acoustic phonon fusion mechanism is introduced to remedy theoretical deficiencies of the near thermal equilibrium treatments. The model clarifies the thermal excitation mechanism of surface phonon polaritons and the energy transfer path under non-zero energy flow. When applied to GaAs and SiC semi-infinite surfaces, the nonequilibrium model predicts that the temperature dependence of the quasi-monochromatic peak can exhibit distinctly different characteristics of either sharp increase or slow saturation depending on the materials, which is in direct contrast with the estimate made by the near-equilibrium model. The proposed theoretical tool can accurately analyze the nonequilibrium steady states, potentially paving a pathway to demonstrate stimulated interaction/emission of thermally excited surface phonon polaritons.

Surface modification of hydrophobic polymers for improvement of endothelial cell-surface interactions

NARCIS (Netherlands)

Dekker, A.; Dekker, A.; Reitsma, K.; Beugeling, T.; Beugeling, T.; Bantjes, A.; Bantjes, A.; Feijen, Jan; Kirkpatrick, C.J.; van Aken, W.G.

1992-01-01

The aim of this study is to improve the interaction of endothelial cells with polymers used in vascular prostheses. Polytetrafluoroethylene (PTFE; Teflon) films were treated by means of nitrogen and oxygen plasmas. Depending on the plasma exposure time, modified PTFE surfaces showed water-contact

Asperity interaction in elastic-plastic contact of rough surfaces in presence of adhesion

International Nuclear Information System (INIS)

Sahoo, Prasanta; Banerjee, Atanu

2005-01-01

This paper presents an analysis of the effect of asperity interaction in elastic-plastic contact of rough surfaces in the presence of adhesion. The micro-contact model of asperity interactions, developed by Zhao and Chang (2001 Trans. ASME: J. Tribol. 123 857-64), is integrated into the elastic-plastic contact model developed by Roy Chowdhury and Ghosh (1994 Wear 174 9-19) to allow the asperity interaction and elastic-plastic deformation in the presence of surface forces to be considered simultaneously. The well-established elastic and plastic adhesion indices are used to consider the different conditions that arise as a result of varying load and material parameters. Results show that asperity interaction influences the loading-unloading behaviour in elastic-plastic adhesive contact of rough surfaces and in general asperity interactions reduce the effect of surface forces

The influence of amperage of electric arc on microhardness in the area single and overlapping remeltings of HS 6-5-2 steel

Directory of Open Access Journals (Sweden)

A. Dziedzic

2011-07-01

Full Text Available The present thesis depicts the microhardness of HV0,065 surface layer of high speed steel HS6-5-2 remelted with the electric arc. There were different surface layer variants of remelting used – the amperage was changed from 50 to 120A with the stable scanning speed of 300mm/min. There was also the influence of overlapping of the remeltings on the microhardness result. The highest average microhardness of the surface layer of high speed steel HS6-5-2 amounting 1100 HV0,065 was achieved by using the amperage of electric arc of 50 A. The overlapping of remeltings is connected with the possibility of occurence of the microhardness decrease in the area of overlapping of the heat influence zone of second remelting (another remelting on the first remelting (the previous one.

Interaction of hydrogen and oxygen with bulk defects and surfaces of metals

International Nuclear Information System (INIS)

Besenbacher, F.

1994-05-01

The thesis deals with the interaction of hydrogen with defects in metals and the interaction of hydrogen and oxygen with metal surfaces studied by ion-beam techniques and scanning tunneling microscopy (STM), respectively. The first part of the thesis discusses the interaction of hydrogen with simple defects in transition metals. The trap-binding enthalpies and the lattice location of hydrogen trapped to vacancies have been determined, and an extremely simple and versatile picture of the hydrogen-metal interaction has evolved, in which the trap strength is mainly determined by the local electron density. Any dilution of the lattice will lead to a trap, vacancies and voids being the strongest trap. It is found that hydrogen trapped to vacancies in fcc metals is quantum-mechanically delocalized, and the excitation energies for the hydrogen in the vacancy potential are a few MeV only. The interaction of hydrogen with metal surfaces is studied by the transmission channeling (TC) technique. It is found that hydrogen chemisorbs in the highest-coordinated sites on the surfaces, and that there is a direct relationship between the hydrogen-metal bond length and the coordination number for the hydrogen. In the final part of the thesis the dynamics of the chemisorption process for oxygen and hydrogen on metal surfaces is studied by STM, a fascinating and powerful technique for exploring the atomic-scale realm of surfaces. It is found that there is a strong coupling between the chemisorption process and the distortion of the metal surface. The adsorbates induce a surface reconstruction, i.e. metal-metal bond breaks and metal-adsorbate bounds form. Whereas hydrogen interacts weakly with the metals and induces reconstructions where only nnn metals bonds are broken, oxygen interacts strongly with the metal, and the driving force for the O-induced reconstructions appears to be the formation of low-coordinated metal-O rows, formed by breaking of nn metal bonds. Finally it is shown

The interaction of water and hydrogen with nickel surfaces

NARCIS (Netherlands)

Shan, Junjun

2009-01-01

As nickel and platinum are in the same group of the periodic table, the Ni(111) and Pt(111) surfaces may be expected to show similar interaction with water and hydrogen. However in this thesis, we show these interactions for Ni(111) are quite different from those of Pt(111). Moreover, our results

Plasma surface interactions in Q-enhanced mirror systems

International Nuclear Information System (INIS)

Post, R.F.

1978-01-01

Two approaches to enhancement of the Q (energy gain) factor of mirror systems are under study at Livermore. These include the Tandem Mirror and the Field Reversed Mirror. Both of these new ideas preserve features of conventional mirror systems as far as plasma-wall interactions are concerned. Specifically in both approaches field lines exit from the ends of the system and impinge on walls located at a distance from the confinement chamber. It is possible to predict some aspects of the plasma/surface interactions of TM and FRM systems from experience obtained in the Livermore 2XIIB experiment. In particular, as observed in 2XIIB, effective isolation of the plasma from thermal contact with the ends owing to the development of sheath-like regions is to be expected. Studies presently underway directed toward still further enhancing the decoupling of the plasma from the effects of plasma surface interactions at the walls will be discussed, with particular reference to the problem of minimizing the effects of refluxing secondary electrons produced by plasma impact on the end walls

Galaxy Zoo: A Catalog of Overlapping Galaxy Pairs for Dust Studies

Science.gov (United States)

Keel, William C.; Manning, Anna M.; Holwerda, Benne W.; Mezzoprete, Massimo; Lintott, Chris J.; Schawinski, Kevin; Gay, Pamela; Masters, Karen L.

2013-01-01

Analysis of galaxies with overlapping images offers a direct way to probe the distribution of dust extinction and its effects on the background light. We present a catalog of 1990 such galaxy pairs selected from the Sloan Digital Sky Survey (SDSS) by volunteers of the Galaxy Zoo project. We highlight subsamples which are particularly useful for retrieving such properties of the dust distribution as UV extinction, the extent perpendicular to the disk plane, and extinction in the inner parts of disks. The sample spans wide ranges of morphology and surface brightness, opening up the possibility of using this technique to address systematic changes in dust extinction or distribution with galaxy type. This sample will form the basis for forthcoming work on the ranges of dust distributions in local disk galaxies, both for their astrophysical implications and as the low-redshift part of a study of the evolution of dust properties. Separate lists and figures show deep overlaps, where the inner regions of the foreground galaxy are backlit, and the relatively small number of previously-known overlapping pairs outside the SDSS DR7 sky coverage.

Influences of overlap index on Fourier ptychography imaging

Science.gov (United States)

Wang, Honghong; Rong, Lu; Wang, Dayong; Zhang, Xu; Zhai, Changchao; Panezai, Spozmai; Wang, Yunxin; Zhao, Jie

2018-01-01

Fourier ptychography is a new type of synthetic aperture imaging technique based on phase retrieval method which can improve microscopeic imaging performance beyond the diffraction limit of the employed optical components by illuminating the object with oblique waves of different incident angles where the field of view remains unchanged. illumination angle and the overlap rate of spectrum will have a certain impact on the quality of reconstruction. In this paper, we study the effects of illumination angle and spectral overlap rate on the image quality of Fourier ptychography. The simulation results show that increasing the illumination angle and spectral overlap can improve the resolution, but there is a threshold for the key parameters of spectral overlap rate. The convergence rate decreases when the overlap rate exceeds 70%, and the reconstruction process is more time-consuming due to the high overlap rate. However the results of proposed study shows that an overlap of 60% is the optimal choice to acquire a high-quality recovery with high speed.

Identifying Hierarchical and Overlapping Protein Complexes Based on Essential Protein-Protein Interactions and “Seed-Expanding” Method

Directory of Open Access Journals (Sweden)

Jun Ren

2014-01-01

Full Text Available Many evidences have demonstrated that protein complexes are overlapping and hierarchically organized in PPI networks. Meanwhile, the large size of PPI network wants complex detection methods have low time complexity. Up to now, few methods can identify overlapping and hierarchical protein complexes in a PPI network quickly. In this paper, a novel method, called MCSE, is proposed based on λ-module and “seed-expanding.” First, it chooses seeds as essential PPIs or edges with high edge clustering values. Then, it identifies protein complexes by expanding each seed to a λ-module. MCSE is suitable for large PPI networks because of its low time complexity. MCSE can identify overlapping protein complexes naturally because a protein can be visited by different seeds. MCSE uses the parameter λ_th to control the range of seed expanding and can detect a hierarchical organization of protein complexes by tuning the value of λ_th. Experimental results of S. cerevisiae show that this hierarchical organization is similar to that of known complexes in MIPS database. The experimental results also show that MCSE outperforms other previous competing algorithms, such as CPM, CMC, Core-Attachment, Dpclus, HC-PIN, MCL, and NFC, in terms of the functional enrichment and matching with known protein complexes.

Density Functional Theory Study of Leaching Performance of Different Acids on Pyrochlore (100) Surface

Science.gov (United States)

Yang, Xiuli; Fang, Qing; Ouyang, Hui

2018-06-01

Pyrochlore leaching using hydrofluoric, sulfuric, and hydrochloric acids has been studied via experimental methods for years, but the interactions between niobium atoms on the pyrochlore surface and different acids have not been investigated. In this work, first-principles calculations based on density functional theory were used to elucidate the leaching performance of these three acids from the viewpoint of geometrical and electronic structures. The calculation results indicate that sulfate, chloride, and fluoride anions influence the geometric structure of pyrochlore (100) to different extents, decreasing in the order: sulfate, fluoride, chloride. Orbitals of O1 and O2 atoms of sulfate hybridized with those of surface niobium atom. Fluorine orbitals hybridized with those of surface niobium atoms. However, no obvious overlap exists between any orbitals of chlorine and surface niobium, revealing that chlorine does not interact chemically with surface niobium atoms.

Water's Interfacial Hydrogen Bonding Structure Reveals the Effective Strength of Surface-Water Interactions.

Science.gov (United States)

Shin, Sucheol; Willard, Adam P

2018-06-05

We combine all-atom molecular dynamics simulations with a mean field model of interfacial hydrogen bonding to analyze the effect of surface-water interactions on the structural and energetic properties of the liquid water interface. We show that the molecular structure of water at a weakly interacting ( i.e., hydrophobic) surface is resistant to change unless the strength of surface-water interactions are above a certain threshold. We find that below this threshold water's interfacial structure is homogeneous and insensitive to the details of the disordered surface, however, above this threshold water's interfacial structure is heterogeneous. Despite this heterogeneity, we demonstrate that the equilibrium distribution of molecular orientations can be used to quantify the energetic component of the surface-water interactions that contribute specifically to modifying the interfacial hydrogen bonding network. We identify this specific energetic component as a new measure of hydrophilicity, which we refer to as the intrinsic hydropathy.

Groundwater-surface water interaction

International Nuclear Information System (INIS)

White, P.A.; Clausen, B.; Hunt, B.; Cameron, S.; Weir, J.J.

2001-01-01

This chapter discusses natural and modified interactions between groundwater and surface water. Theory on recharge to groundwater from rivers is introduced, and the relative importance of groundwater recharge from rivers is illustrated with an example from the Ngaruroro River, Hawke's Bay. Some of the techniques used to identify and measure recharge to groundwater from gravel-bed rivers will be outlined, with examples from the Ngaruroro River, where the recharge reach is relatively well defined, and from the Rakaia River, where it is poorly defined. Groundwater recharged from rivers can have characteristic chemical and isotopic signatures, as shown by Waimakariri River water in the Christchurch-West Melton groundwater system. The incorporation of groundwater-river interaction in a regional groundwater flow model is outlined for the Waimea Plains, and relationships between river scour and groundwater recharge are examined for the Waimakariri River. Springs are the result of natural discharge from groundwater systems and are important water sources. The interactions between groundwater systems, springs, and river flow for the Avon River in New Zealand will be outlined. The theory of depletion of stream flow by groundwater pumpage will be introduced with a case study from Canterbury, and salt-water intrusion into groundwater systems with examples from Nelson and Christchurch. The theory of artificial recharge to groundwater systems is introduced with a case study from Hawke's Bay. Wetlands are important to flora, and the relationship of the wetland environment to groundwater hydrology will be discussed, with an example from the South Taupo wetland. (author). 56 refs., 25 figs., 3 tabs

Interaction of SO2 with the Surface of a Water Nanodroplet.

Science.gov (United States)

Zhong, Jie; Zhu, Chongqin; Li, Lei; Richmond, Geraldine L; Francisco, Joseph S; Zeng, Xiao Cheng

2017-11-29

We present a comprehensive computational study of interaction of a SO 2 with water molecules in the gas phase and with the surface of various sized water nanodroplets to investigate the solvation behavior of SO 2 in different atmospheric environments. Born-Oppenheimer molecular dynamics (BOMD) simulation shows that, in the gas phase and at a temperature of 300 K, the dominant interaction between SO 2 and H 2 O is (SO 2 ) S···O (H 2 O) , consistent with previous density-functional theory (DFT) computation at 0 K. However, at the surface of a water nanodroplet, BOMD simulation shows that the hydrogen-bonding interaction of (SO 2 ) O···H (H 2 O) becomes increasingly important with the increase of droplet size, reflecting a marked effect of the water surface on the SO 2 solvation. This conclusion is in good accordance with spectroscopy evidence obtained previously (J. Am. Chem. Soc. 2005, 127, 16806; J. Am. Chem. Soc. 2006, 128, 3256). The prevailing interaction (SO 2 ) O···H (H 2 O) on a large droplet is mainly due to favorable exposure of H atoms of H 2 O at the air-water interface. Indeed, the conversion of the dominant interaction in the gas phase (SO 2 ) S···O (H 2 O) to the dominant interaction on the water nanodroplet (SO 2 ) O···H (H 2 O) may incur effects on the SO 2 chemistry in atmospheric aerosols because the solvation of SO 2 at the water surface can affect the reactive sites and electrophilicity of SO 2 . Hence, the solvation of SO 2 on the aerosol surface may have new implications when studying SO 2 chemistry in the aerosol-containing troposphere.

Multi-scale cell/surface interaction on modified titanium aluminum vanadium surfaces

Science.gov (United States)

Chen, Jianbo

This dissertation presents a series of experimental studies of the effects of multi-scale cell/surface interactions on modified Ti-6Al-4V surfaces. These include laser-grooved surfaces; porous structures and RGD-coated laser-grooved surfaces. A nano-second DPSS UV lasers with a Gaussian pulse energy profile was used to introduce the desired micro-groove geometries onto Ti-6Al-4V surfaces. This was done without inducing micro-cracks or significant changes in surface chemistry within the heat affected zones. The desired 8-12 mum groove depths and widths were achieved by the control of pulse frequency, scan speed, and the lens focal length that controls spot size. The interactions between human osteosarcoma (HOS) cells and laser-grooved Ti-6Al-4V surfaces were investigated after 48 hours of cell culture. The cell behavior, including cell spreading, alignment and adhesion, was elucidated using scanning electronic microscopy (SEM), immuno-fluorescence staining and enzymatic detachment. Contact guidance was shown to increase as grooved spacing decreased. For the range of micro-groove geometries studied, micro-grooves with groove spacings of 20 mum provided the best combination of cell orientation and adhesion. Short-term adhesion experiments (15 mins to 1 day) also revealed that there is a positive correlation between cell orientation and cell adhesion. Contact guidance on the micro-grooved surfaces is shown to be enhanced by nano- and micro-scale asperities that provide sites for the attachment of lamellopodia during cell locomotion and spreading. Contact guidance is also promoted by the geometrical confinement provided by laser grooves. An experimental study of initial cell spreading and ingrowth into Ti-6Al-4V porous structures was also carried out on porous structures with different pore sizes and geometries. A combination of SEM, the tetrazolium salt (MTT) colorimetric assay and enzymatic detachment were used to study cell spreading and adhesion. The extent of cell

MODELING THE INTERACTION OF AGROCHEMICALS WITH ENVIRONMENTAL SURFACES

Science.gov (United States)

The interactions between agrochemicals and organo-mineral surfaces were studied using molecular mechanical conformational calculations and molecular dynamics simulations. Atrazine (2-chloro-4-ethylamino-6-isopropylamino-s-triazine), 2,4-D (1, 2-dichlorophenoxyacetic acid), and DD...

Neural overlap in processing music and speech

Science.gov (United States)

Peretz, Isabelle; Vuvan, Dominique; Lagrois, Marie-Élaine; Armony, Jorge L.

2015-01-01

Neural overlap in processing music and speech, as measured by the co-activation of brain regions in neuroimaging studies, may suggest that parts of the neural circuitries established for language may have been recycled during evolution for musicality, or vice versa that musicality served as a springboard for language emergence. Such a perspective has important implications for several topics of general interest besides evolutionary origins. For instance, neural overlap is an important premise for the possibility of music training to influence language acquisition and literacy. However, neural overlap in processing music and speech does not entail sharing neural circuitries. Neural separability between music and speech may occur in overlapping brain regions. In this paper, we review the evidence and outline the issues faced in interpreting such neural data, and argue that converging evidence from several methodologies is needed before neural overlap is taken as evidence of sharing. PMID:25646513

Probing gas-surface interactions with a molecular beam

International Nuclear Information System (INIS)

Spruit, M.E.M.

1988-01-01

The dynamics of direct scattering, trapping and sticking in molecular beam scattering is probed. The O 2 /Ag interaction was chosen, using the close-packed (111) plane of Ag as target surface. 170 refs.; 22 figs.; 3 tabs

Comparison of various HFB overlap formulae

International Nuclear Information System (INIS)

Oi, M.

2015-01-01

The nuclear many-body approach beyond the mean-field approximation demands overlap calculations of different many-body states. Norm overlaps between two different Hartree-Fock-Bogoliubov states can be calculated by means of the Onishi formula. However, the formula leaves the sign of the norm overlap undetermined. Several approaches have been proposed by Hara-Hayashi-Ring, Neergård-Wüst, and Robledo. In the present paper, the Neergård-Wüst formula is examined whether it is applicable to practical numerical calculations, although the formula was dismissed by many nuclear theoreticians so far for unknown reasons

Anisotropic Surface State Mediated RKKY Interaction Between Adatoms on a Hexagonal Lattice

Science.gov (United States)

Einstein, Theodore; Patrone, Paul

2012-02-01

Motivated by recent numerical studies of Ag on Pt(111), we derive a far-field expression for the RKKY interaction mediated by surface states on a (111) FCC surface, considering the effect of anisotropy in the Fermi edge. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that in general, the corresponding Fermi wave-vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface state band structure. The wavelength, in particular, is determined by the component of the aforementioned kF that is parallel to R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work.

SAGE: String-overlap Assembly of GEnomes.

Science.gov (United States)

Ilie, Lucian; Haider, Bahlul; Molnar, Michael; Solis-Oba, Roberto

2014-09-15

De novo genome assembly of next-generation sequencing data is one of the most important current problems in bioinformatics, essential in many biological applications. In spite of significant amount of work in this area, better solutions are still very much needed. We present a new program, SAGE, for de novo genome assembly. As opposed to most assemblers, which are de Bruijn graph based, SAGE uses the string-overlap graph. SAGE builds upon great existing work on string-overlap graph and maximum likelihood assembly, bringing an important number of new ideas, such as the efficient computation of the transitive reduction of the string overlap graph, the use of (generalized) edge multiplicity statistics for more accurate estimation of read copy counts, and the improved use of mate pairs and min-cost flow for supporting edge merging. The assemblies produced by SAGE for several short and medium-size genomes compared favourably with those of existing leading assemblers. SAGE benefits from innovations in almost every aspect of the assembly process: error correction of input reads, string-overlap graph construction, read copy counts estimation, overlap graph analysis and reduction, contig extraction, and scaffolding. We hope that these new ideas will help advance the current state-of-the-art in an essential area of research in genomics.

Aerial Neutron Detection of Cosmic-Ray Interactions with the Earth's Surface

International Nuclear Information System (INIS)

Richard Maurer

2008-01-01

We have demonstrated the ability to measure the neutron flux produced by the cosmic-ray interaction with nuclei in the ground surface using aerial neutron detection. High energy cosmic-rays (primarily muons with GeV energies) interact with the nuclei in the ground surface and produce energetic neutrons via spallation. At the air-surface interface, the neutrons produced by spallation will either scatter within the surface material, become thermalized and reabsorbed, or be emitted into the air. The mean free path of energetic neutrons in air can be hundreds of feet as opposed to a few feet in dense materials. As such, the flux of neutrons escaping into the air provides a measure of the surface nuclei composition. It has been demonstrated that this effect can be measured at long range using neutron detectors on low flying helicopters. Radiological survey measurements conducted at Government Wash in Las Vegas, Nevada, have shown that the neutron background from the cosmic-soil interactions is repeatable and directly correlated to the geological data. Government Wash has a very unique geology, spanning a wide variety of nuclide mixtures and formations. The results of the preliminary measurements are presented

Dynamics of gas-surface interactions atomic-level understanding of scattering processes at surfaces

CERN Document Server

Díez Muniño, Ricardo

2013-01-01

This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the ‘surface science’ approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level u...

Immobilized enzymes: understanding enzyme - surface interactions at the molecular level.

Science.gov (United States)

Hoarau, Marie; Badieyan, Somayesadat; Marsh, E Neil G

2017-11-22

Enzymes immobilized on solid supports have important and industrial and medical applications. However, their uses are limited by the significant reductions in activity and stability that often accompany the immobilization process. Here we review recent advances in our understanding of the molecular level interactions between proteins and supporting surfaces that contribute to changes in stability and activity. This understanding has been facilitated by the application of various surface-sensitive spectroscopic techniques that allow the structure and orientation of enzymes at the solid/liquid interface to be probed, often with monolayer sensitivity. An appreciation of the molecular interactions between enzyme and surface support has allowed the surface chemistry and method of enzyme attachement to be fine-tuned such that activity and stability can be greatly enhanced. These advances suggest that a much wider variety of enzymes may eventually be amenable to immobilization as green catalysts.

Neural overlap in processing music and speech.

Science.gov (United States)

Peretz, Isabelle; Vuvan, Dominique; Lagrois, Marie-Élaine; Armony, Jorge L

2015-03-19

Neural overlap in processing music and speech, as measured by the co-activation of brain regions in neuroimaging studies, may suggest that parts of the neural circuitries established for language may have been recycled during evolution for musicality, or vice versa that musicality served as a springboard for language emergence. Such a perspective has important implications for several topics of general interest besides evolutionary origins. For instance, neural overlap is an important premise for the possibility of music training to influence language acquisition and literacy. However, neural overlap in processing music and speech does not entail sharing neural circuitries. Neural separability between music and speech may occur in overlapping brain regions. In this paper, we review the evidence and outline the issues faced in interpreting such neural data, and argue that converging evidence from several methodologies is needed before neural overlap is taken as evidence of sharing. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

On the acoustics of overlapping laughter in conversational speech

NARCIS (Netherlands)

Truong, Khiet Phuong; Trouvain, Jürgen

The social nature of laughter invites people to laugh together. This joint vocal action often results in overlapping laughter. In this paper, we show that the acoustics of overlapping laughs are different from non-overlapping laughs. We found that overlapping laughs are stronger prosodically marked

Measurement of the interaction between the flow and the free surface of a liquid

Energy Technology Data Exchange (ETDEWEB)

Okamoto, Koji [Univ. of Tokyo, Ibaraki (Japan); Schmidl, W.D.; Philip, O.G. [Texas A& M Univ., College Station, TX (United States)

1995-09-01

The interaction between the flow and free surface was evaluated measuring the velocity distribution and surface movement simultaneously. The test section was a rectangular tank having a free surface. A rectangular nozzle was set near the free surface, causing the wavy free surface condition. The flow under the free surface was visualized by a laser light sheet and small tracer particles. With image processing techniques, the movement of the free surface and the movement of the particles were simultaneously measured from the recorded images, resulting in the velocity distributions and surface locations. Then, the interactions between the flow and free surface were evaluated using the form of turbulent energy and surface-related turbulent values. By increasing the turbulent energy near the free surface, the fluctuations of the free surface height and the inclination of the free surface were increased. The higher fluctuation of horizontal velocity was related to the higher surface position and negative inclination. The image processing technique is found to be very useful to evaluate the interaction between free surface and flow.

Measurement of the interaction between the flow and the free surface of a liquid

International Nuclear Information System (INIS)

Okamoto, Koji; Schmidl, W.D.; Philip, O.G.

1995-01-01

The interaction between the flow and free surface was evaluated measuring the velocity distribution and surface movement simultaneously. The test section was a rectangular tank having a free surface. A rectangular nozzle was set near the free surface, causing the wavy free surface condition. The flow under the free surface was visualized by a laser light sheet and small tracer particles. With image processing techniques, the movement of the free surface and the movement of the particles were simultaneously measured from the recorded images, resulting in the velocity distributions and surface locations. Then, the interactions between the flow and free surface were evaluated using the form of turbulent energy and surface-related turbulent values. By increasing the turbulent energy near the free surface, the fluctuations of the free surface height and the inclination of the free surface were increased. The higher fluctuation of horizontal velocity was related to the higher surface position and negative inclination. The image processing technique is found to be very useful to evaluate the interaction between free surface and flow

Molecular resonances, fusion reactions and surface transparency of interaction between heavy ions

International Nuclear Information System (INIS)

Abe, Yasuhisa.

1980-01-01

A review of the Band Crossing Model is given, including recent results on the 16 O + 16 O system. Surface Transparency is discussed in the light of the recent development in our understanding of the fusion reaction mechanisms and by calculating the number of open channels available to direct reactions. The existence of the Molecular Resonance Region is suggested in several systems by the fact that Band Crossing Region overlaps with the Transparent Region. A systematic study predicts molecular resonances in the 14 C + 14 C and 12 C + 14 C systems as prominent as those observed in the 16 O + 16 O and 12 C + 16 O systems

Influence of slice overlap on positron emission tomography image quality

International Nuclear Information System (INIS)

McKeown, Clare; Gillen, Gerry; Dempsey, Mary Frances; Findlay, Caroline

2016-01-01

PET scans use overlapping acquisition beds to correct for reduced sensitivity at bed edges. The optimum overlap size for the General Electric (GE) Discovery 690 has not been established. This study assesses how image quality is affected by slice overlap. Efficacy of 23% overlaps (recommended by GE) and 49% overlaps (maximum possible overlap) were specifically assessed. European Association of Nuclear Medicine (EANM) guidelines for calculating minimum injected activities based on overlap size were also reviewed. A uniform flood phantom was used to assess noise (coefficient of variation, (COV)) and voxel accuracy (activity concentrations, Bq ml −1 ). A NEMA (National Electrical Manufacturers Association) body phantom with hot/cold spheres in a background activity was used to assess contrast recovery coefficients (CRCs) and signal to noise ratios (SNR). Different overlap sizes and sphere-to-background ratios were assessed. COVs for 49% and 23% overlaps were 9% and 13% respectively. This increased noise was difficult to visualise on the 23% overlap images. Mean voxel activity concentrations were not affected by overlap size. No clinically significant differences in CRCs were observed. However, visibility and SNR of small, low contrast spheres (⩽13 mm diameter, 2:1 sphere to background ratio) may be affected by overlap size in low count studies if they are located in the overlap area. There was minimal detectable influence on image quality in terms of noise, mean activity concentrations or mean CRCs when comparing 23% overlap with 49% overlap. Detectability of small, low contrast lesions may be affected in low count studies—however, this is a worst-case scenario. The marginal benefits of increasing overlap from 23% to 49% are likely to be offset by increased patient scan times. A 23% overlap is therefore appropriate for clinical use. An amendment to EANM guidelines for calculating injected activities is also proposed which better reflects the effect overlap size

Link overlap, viability, and mutual percolation in multiplex networks

International Nuclear Information System (INIS)

Min, Byungjoon; Lee, Sangchul; Lee, Kyu-Min; Goh, K.-I.

2015-01-01

Many real-world complex systems are best modeled by multiplex networks. The multiplexity has proved to have broad impact on the system’s structure and function. Most theoretical studies on multiplex networks to date, however, have largely ignored the effect of the link overlap across layers despite strong empirical evidences for its significance. In this article, we investigate the effect of the link overlap in the viability of multiplex networks, both analytically and numerically. After a short recap of the original multiplex viability study, the distinctive role of overlapping links in viability and mutual connectivity is emphasized and exploited for setting up a proper analytic framework. A rich phase diagram for viability is obtained and greatly diversified patterns of hysteretic behavior in viability are observed in the presence of link overlap. Mutual percolation with link overlap is revisited as a limit of multiplex viability problem, and the controversy between existing results is clarified. The distinctive role of overlapping links is further demonstrated by the different responses of networks under random removals of overlapping and non-overlapping links, respectively, as well as under several link-removal strategies. Our results show that the link overlap facilitates the viability and mutual percolation; at the same time, the presence of link overlap poses a challenge in analytical approaches to the problem

Nanoscale roughness and morphology affect the IsoElectric Point of titania surfaces.

Directory of Open Access Journals (Sweden)

Francesca Borghi

Full Text Available We report on the systematic investigation of the role of surface nanoscale roughness and morphology on the charging behaviour of nanostructured titania (TiO2 surfaces in aqueous solutions. IsoElectric Points (IEPs of surfaces have been characterized by direct measurement of the electrostatic double layer interactions between titania surfaces and the micrometer-sized spherical silica probe of an atomic force microscope in NaCl aqueous electrolyte. The use of a colloidal probe provides well-defined interaction geometry and allows effectively probing the overall effect of nanoscale morphology. By using supersonic cluster beam deposition to fabricate nanostructured titania films, we achieved a quantitative control over the surface morphological parameters. We performed a systematical exploration of the electrical double layer properties in different interaction regimes characterized by different ratios of characteristic nanometric lengths of the system: the surface rms roughness Rq, the correlation length ξ and the Debye length λD. We observed a remarkable reduction by several pH units of IEP on rough nanostructured surfaces, with respect to flat crystalline rutile TiO2. In order to explain the observed behavior of IEP, we consider the roughness-induced self-overlap of the electrical double layers as a potential source of deviation from the trend expected for flat surfaces.

Climate change has indirect effects on resource use and overlap among coexisting bird species with negative consequences for their reproductive success.

Science.gov (United States)

Auer, Sonya K; Martin, Thomas E

2013-02-01

Climate change can modify ecological interactions, but whether it can have cascading effects throughout ecological networks of multiple interacting species remains poorly studied. Climate-driven alterations in the intensity of plant-herbivore interactions may have particularly profound effects on the larger community because plants provide habitat for a wide diversity of organisms. Here we show that changes in vegetation over the last 21 years, due to climate effects on plant-herbivore interactions, have consequences for songbird nest site overlap and breeding success. Browsing-induced reductions in the availability of preferred nesting sites for two of three ground nesting songbirds led to increasing overlap in nest site characteristics among all three bird species with increasingly negative consequences for reproductive success over the long term. These results demonstrate that changes in the vegetation community from effects of climate change on plant-herbivore interactions can cause subtle shifts in ecological interactions that have critical demographic ramifications for other species in the larger community. © 2012 Blackwell Publishing Ltd.

Climate change has indirect effects on resource use and overlap among coexisting bird species with negative consequences for their reproductive success

Science.gov (United States)

Martin, Thomas E.; Auer, Sonya K.

2013-01-01

Climate change can modify ecological interactions, but whether it can have cascading effects throughout ecological networks of multiple interacting species remains poorly studied. Climate-driven alterations in the intensity of plant–herbivore interactions may have particularly profound effects on the larger community because plants provide habitat for a wide diversity of organisms. Here we show that changes in vegetation over the last 21 years, due to climate effects on plant–herbivore interactions, have consequences for songbird nest site overlap and breeding success. Browsing-induced reductions in the availability of preferred nesting sites for two of three ground nesting songbirds led to increasing overlap in nest site characteristics among all three bird species with increasingly negative consequences for reproductive success over the long term. These results demonstrate that changes in the vegetation community from effects of climate change on plant–herbivore interactions can cause subtle shifts in ecological interactions that have critical demographic ramifications for other species in the larger community.

Individual-based analyses reveal limited functional overlap in a coral reef fish community.

Science.gov (United States)

Brandl, Simon J; Bellwood, David R

2014-05-01

Detailed knowledge of a species' functional niche is crucial for the study of ecological communities and processes. The extent of niche overlap, functional redundancy and functional complementarity is of particular importance if we are to understand ecosystem processes and their vulnerability to disturbances. Coral reefs are among the most threatened marine systems, and anthropogenic activity is changing the functional composition of reefs. The loss of herbivorous fishes is particularly concerning as the removal of algae is crucial for the growth and survival of corals. Yet, the foraging patterns of the various herbivorous fish species are poorly understood. Using a multidimensional framework, we present novel individual-based analyses of species' realized functional niches, which we apply to a herbivorous coral reef fish community. In calculating niche volumes for 21 species, based on their microhabitat utilization patterns during foraging, and computing functional overlaps, we provide a measurement of functional redundancy or complementarity. Complementarity is the inverse of redundancy and is defined as less than 50% overlap in niche volumes. The analyses reveal extensive complementarity with an average functional overlap of just 15.2%. Furthermore, the analyses divide herbivorous reef fishes into two broad groups. The first group (predominantly surgeonfishes and parrotfishes) comprises species feeding on exposed surfaces and predominantly open reef matrix or sandy substrata, resulting in small niche volumes and extensive complementarity. In contrast, the second group consists of species (predominantly rabbitfishes) that feed over a wider range of microhabitats, penetrating the reef matrix to exploit concealed surfaces of various substratum types. These species show high variation among individuals, leading to large niche volumes, more overlap and less complementarity. These results may have crucial consequences for our understanding of herbivorous processes on

Iterative Overlap FDE for Multicode DS-CDMA

Science.gov (United States)

Takeda, Kazuaki; Tomeba, Hiromichi; Adachi, Fumiyuki

Recently, a new frequency-domain equalization (FDE) technique, called overlap FDE, that requires no GI insertion was proposed. However, the residual inter/intra-block interference (IBI) cannot completely be removed. In addition to this, for multicode direct sequence code division multiple access (DS-CDMA), the presence of residual interchip interference (ICI) after FDE distorts orthogonality among the spreading codes. In this paper, we propose an iterative overlap FDE for multicode DS-CDMA to suppress both the residual IBI and the residual ICI. In the iterative overlap FDE, joint minimum mean square error (MMSE)-FDE and ICI cancellation is repeated a sufficient number of times. The bit error rate (BER) performance with the iterative overlap FDE is evaluated by computer simulation.

FLIC-overlap fermions and topology

International Nuclear Information System (INIS)

Kamleh, W.; Kusterer, D.J.; Leinweber, D.B.; Williams, A.G.

2003-01-01

APE smearing the links in the irrelevant operators of clover fermions (Fat-Link Irrelevant Clover (FLIC) fermions) provides significant improvement in the condition number of the Hermitian-Dirac operator and gives rise to a factor of two savings in computing the overlap operator. This report investigates the effects of using a highly-improved definition of the lattice field-strength tensor F μν in the fermion action, made possible through the use of APE-smeared fat links in the construction of the irrelevant operators. Spurious double-zero crossings in the spectral flow of the Hermitian-Wilson Dirac operator associated with lattice artifacts at the scale of the lattice spacing are removed with FLIC fermions composed with an O(α 4 )-improved lattice field strength tensor. Hence, FLIC-Overlap fermions provide an additional benefit to the overlap formalism: a correct realization of topology in the fermion sector on the lattice

Anisotropic surface-state-mediated RKKY interaction between adatoms on a hexagonal lattice

Science.gov (United States)

Patrone, Paul N.; Einstein, T. L.

2012-01-01

Motivated by recent numerical studies of Ag on Pt(111), we derive an expression for the RKKY interaction mediated by surface states, considering the effect of anisotropy in the Fermi edge. Our analysis is based on a stationary phase approximation. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that, in general, the corresponding Fermi wave vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface-state band structure. The wavelength, in particular, is determined by the projection of this kF (corresponding to vF) onto the direction of R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work. However, for metals with surface-state dispersions similar to Be(101¯0), we show that the RKKY interaction should have considerable anisotropy.

Interactions between yeasts and bacteria in the smear surface-ripened cheeses.

Science.gov (United States)

Corsetti, A; Rossi, J; Gobbetti, M

2001-09-19

In the initial phase of ripening, the microflora of bacterial smear surface-ripened cheeses such as Limburger, Taleggio, Brick, Münster and Saint-Paulin and that of surface mould-ripened cheeses such as Camembert and Brie may be similar, but at the end of the ripening, bacteria such as Brevibacterium spp., Arthrobacter spp., Micrococcus spp., Corynebacterium spp. and moulds such as Penicillium camemberti are, respectively, the dominant microorganisms. Yeasts such as Candida spp., Cryptococcus spp., Debaryomyces spp., Geotrichum candidum, Pichia spp., Rhodotorula spp., Saccharomyces spp. and Yarrowia lipolytica are often and variably isolated from the smear surface-ripened cheeses. Although not dominant within the microorganisms of the smear surface-ripened cheeses, yeasts establish significant interactions with moulds and especially bacteria, including surface bacteria and lactic acid bacteria. Some aspects of the interactions between yeasts and bacteria in such type of cheeses are considered in this paper.

Plasma surface interaction studies in Japan

International Nuclear Information System (INIS)

Hino, T.; Hirohata, Y.; Yamashina, T.

1994-01-01

In order to achieve a long burning time period in a fusion reactor, the interactions between the plasma facing materials and the fusion plasma have to be well controlled. Namely, the radiation loss due to impurities and deterioration of the energy confinement time due to fuel particle recyclings have to be suppressed, in addition to the requirement of heat removal based on a high heat flux component. Recently, in Japan, the plasma facing material/component has been very actively developed for ITER and Large Helical Device (LHD). In this review paper, we briefly introduce the following issues, (1) progress of plasma surface interactions in tokamaks and helical devices, (2) development of plasma facing materials, (3) divertor development, (4) boronization, (5) selective pumping of helium ash, (6) tritium retention, and (7) neutron damage of graphite plasma facing material. (author)

UV and IR laser radiation's interaction with metal film and teflon surfaces

Science.gov (United States)

Fedenev, A. V.; Alekseev, S. B.; Goncharenko, I. M.; Koval', N. N.; Lipatov, E. I.; Orlovskii, V. M.; Shulepov, M. A.; Tarasenko, V. F.

2003-04-01

The interaction of Xe ([lambda] [similar] 1.73 [mu]m) and XeCl (0.308 [mu]m) laser radiation with surfaces of metal and TiN-ceramic coatings on glass and steel substrates has been studied. Correlation between parameters of surface erosion versus laser-specific energy was investigated. Monitoring of laser-induced erosion on smooth polished surfaces was performed using optical microscopy. The correlation has been revealed between characteristic zones of thin coatings damaged by irradiation and energy distribution over the laser beam cross section allowing evaluation of defects and adhesion of coatings. The interaction of pulsed periodical CO2 ([lambda] [similar] 10.6 [mu]m), and Xe ([lambda] [similar] 1.73 [mu]m) laser radiation with surfaces of teflon (polytetrafluoroethylene—PTFE) has been studied. Monitoring of erosion track on surfaces was performed through optical microscopy. It has been shown that at pulsed periodical CO2-radiation interaction with teflon the sputtering of polymer with formation of submicron-size particles occurs. Dependencies of particle sizes, form, and sputtering velocity on laser pulse duration and target temperature have been obtained.

A model for evolution of overlapping community networks

Science.gov (United States)

Karan, Rituraj; Biswal, Bibhu

2017-05-01

A model is proposed for the evolution of network topology in social networks with overlapping community structure. Starting from an initial community structure that is defined in terms of group affiliations, the model postulates that the subsequent growth and loss of connections is similar to the Hebbian learning and unlearning in the brain and is governed by two dominant factors: the strength and frequency of interaction between the members, and the degree of overlap between different communities. The temporal evolution from an initial community structure to the current network topology can be described based on these two parameters. It is possible to quantify the growth occurred so far and predict the final stationary state to which the network is likely to evolve. Applications in epidemiology or the spread of email virus in a computer network as well as finding specific target nodes to control it are envisaged. While facing the challenge of collecting and analyzing large-scale time-resolved data on social groups and communities one faces the most basic questions: how do communities evolve in time? This work aims to address this issue by developing a mathematical model for the evolution of community networks and studying it through computer simulation.

Interaction of dyes CD–1 and SD–1 with the surface of oligodimethysiloxane

Science.gov (United States)

Chausov, D. N.

2018-03-01

We carried out the modeling orientation of the dyes CD–1 and SD–1 relative to the surface of oligodimethysiloxane using the atom–atom potentials method. We have discovered the dependence of the interaction energy in dyes molecules on the angles which characterizes their orientation relative to the surface of the oligodimethysiloxane crystal. It was found out that the obtained energy value of interaction with the surface can explain weak adhesive qualities of the dyes and the orientation type relative to the surface. We identified the break– loose force for the dyes on the oligodimethysiloxane crystal surface.

The effect of pattern overlap on the accuracy of high resolution electron backscatter diffraction measurements

Energy Technology Data Exchange (ETDEWEB)

Tong, Vivian, E-mail: v.tong13@imperial.ac.uk [Department of Materials, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom); Jiang, Jun [Department of Materials, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom); Wilkinson, Angus J. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Britton, T. Ben [Department of Materials, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom)

2015-08-15

High resolution, cross-correlation-based, electron backscatter diffraction (EBSD) measures the variation of elastic strains and lattice rotations from a reference state. Regions near grain boundaries are often of interest but overlap of patterns from the two grains could reduce accuracy of the cross-correlation analysis. To explore this concern, patterns from the interior of two grains have been mixed to simulate the interaction volume crossing a grain boundary so that the effect on the accuracy of the cross correlation results can be tested. It was found that the accuracy of HR-EBSD strain measurements performed in a FEG-SEM on zirconium remains good until the incident beam is less than 18 nm from a grain boundary. A simulated microstructure was used to measure how often pattern overlap occurs at any given EBSD step size, and a simple relation was found linking the probability of overlap with step size. - Highlights: • Pattern overlap occurs at grain boundaries and reduces HR-EBSD accuracy. • A test is devised to measure the accuracy of HR-EBSD in the presence of overlap. • High pass filters can sometimes, but not generally, improve HR-EBSD measurements. • Accuracy of HR-EBSD remains high until the reference pattern intensity is <72%. • 9% of points near a grain boundary will have significant error for 200nm step size in Zircaloy-4.

A study of the Gaussian overlap approach in the two-center shell model

International Nuclear Information System (INIS)

Reinhard, P.-G.

1976-01-01

The Gaussian overlap approach (GOA) to the generator coordinate method (GCM) is carried through up to fourth order in the derivatives. By diagonalizing the norm overlap, a collective Schroedinger equation is obtained. The potential therein contains the usual potential energy surface (PES) plus correction terms, which subtract the zero-point energies (ZPE) is the PES. The formalism is applied to BCS states obtained from a two-center shell model (TCSM). To understand the crucial role of the pairing contributions in the GOA a schematic picture, the multi-level model, is constructed. An explicit numerical study of the convergence of the GOA is given for the TCSM, with the result that the GOA seems to be justified for medium and heavy nuclei but critical for light nuclei. (Auth.)

Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions.

Science.gov (United States)

Khayet, Mohamed; Fernández, Victoria

2012-11-14

Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we introduce a thermodynamic method for estimating the solubilities of model plant surface constituents and relating them to the effects of agrochemicals. Following the van Krevelen and Hoftyzer method, we calculated the solubility parameters of three model plant species and eight compounds that differ in hydrophobicity and polarity. In addition, intact tissues were examined by scanning electron microscopy and the surface free energy, polarity, solubility parameter and work of adhesion of each were calculated from contact angle measurements of three liquids with different polarities. By comparing the affinities between plant surface constituents and agrochemicals derived from (a) theoretical calculations and (b) contact angle measurements we were able to distinguish the physical effect of surface roughness from the effect of the chemical nature of the epicuticular waxes. A solubility parameter model for plant surfaces is proposed on the basis of an increasing gradient from the cuticular surface towards the underlying cell wall. The procedure enabled us to predict the interactions among agrochemicals, plant surfaces, and cuticular and cell wall components, and promises to be a useful tool for improving our understanding of biological surface interactions.

Piles, tabs and overlaps in navigation among documents

DEFF Research Database (Denmark)

Jakobsen, Mikkel Rønne; Hornbæk, Kasper

2010-01-01

Navigation among documents is a frequent, but ill supported activity. Overlapping or tabbed documents are widespread, but they offer limited visibility of their content. We explore variations on navigation support: arranging documents with tabs, as overlapping windows, and in piles. In an experim......Navigation among documents is a frequent, but ill supported activity. Overlapping or tabbed documents are widespread, but they offer limited visibility of their content. We explore variations on navigation support: arranging documents with tabs, as overlapping windows, and in piles....... In an experiment we compared 11 participants’ navigation with these variations and found strong task effects. Overall, overlapping windows were preferred and their structured layout worked well with some tasks. Surprisingly, tabbed documents were efficient in tasks requiring simply finding a document. Piled...... on document navigation and its support by piling....

Contributions of Medial Temporal Lobe and Striatal Memory Systems to Learning and Retrieving Overlapping Spatial Memories

Science.gov (United States)

Brown, Thackery I.; Stern, Chantal E.

2014-01-01

Many life experiences share information with other memories. In order to make decisions based on overlapping memories, we need to distinguish between experiences to determine the appropriate behavior for the current situation. Previous work suggests that the medial temporal lobe (MTL) and medial caudate interact to support the retrieval of overlapping navigational memories in different contexts. The present study used functional magnetic resonance imaging (fMRI) in humans to test the prediction that the MTL and medial caudate play complementary roles in learning novel mazes that cross paths with, and must be distinguished from, previously learned routes. During fMRI scanning, participants navigated virtual routes that were well learned from prior training while also learning new mazes. Critically, some routes learned during scanning shared hallways with those learned during pre-scan training. Overlap between mazes required participants to use contextual cues to select between alternative behaviors. Results demonstrated parahippocampal cortex activity specific for novel spatial cues that distinguish between overlapping routes. The hippocampus and medial caudate were active for learning overlapping spatial memories, and increased their activity for previously learned routes when they became context dependent. Our findings provide novel evidence that the MTL and medial caudate play complementary roles in the learning, updating, and execution of context-dependent navigational behaviors. PMID:23448868

Blast wave interaction with a rigid surface

International Nuclear Information System (INIS)

Josey, T.; Whitehouse, D.R.; Ripley, R.C.; Dionne, J.P.

2004-01-01

A simple model used to investigate blast wave interactions with a rigid surface is presented. The model uses a constant volume energy source analogue to predict pressure histories at gauges located directly above the charge. A series of two-dimensional axi-symmetric CFD calculations were performed, varying the height of the charge relative to the ground. Pressure histories, along with isopycnic plots are presented to evaluate the effects of placing a charge in close proximity to a rigid surface. When a charge is placed near a solid surface the pressure histories experienced at gauges above the charge indicate the presence of two distinct pressure peaks. The first peak is caused by the primary shock and the second peak is a result of the wave reflections from the rigid surface. As the distance from the charge to the wall is increased the magnitude of the second pressure peak is reduced, provided that the distance between the charge and the gauge is maintained constant. The simple model presented is able to capture significant, predictable flow features. (author)

Interaction Mechanisms between Air Bubble and Molybdenite Surface: Impact of Solution Salinity and Polymer Adsorption.

Science.gov (United States)

Xie, Lei; Wang, Jingyi; Yuan, Duowei; Shi, Chen; Cui, Xin; Zhang, Hao; Liu, Qi; Liu, Qingxia; Zeng, Hongbo

2017-03-07

The surface characteristics of molybdenite (MoS 2 ) such as wettability and surface interactions have attracted much research interest in a wide range of engineering applications, such as froth flotation. In this work, a bubble probe atomic force microscope (AFM) technique was employed to directly measure the interaction forces between an air bubble and molybdenite mineral surface before/after polymer (i.e., guar gum) adsorption treatment. The AFM imaging showed that the polymer coverage on the surface of molybdenite could achieve ∼5.6, ∼44.5, and ∼100% after conditioning in 1, 5, and 10 ppm polymer solution, respectively, which coincided with the polymer coverage results based on contact angle measurements. The electrolyte concentration and surface treatment by polymer adsorption were found to significantly affect bubble-mineral interaction and attachment. The experimental force results on bubble-molybdenite (without polymer treatment) agreed well with the calculations using a theoretical model based on the Reynolds lubrication theory and augmented Young-Laplace equation including the effect of disjoining pressure. The overall surface repulsion was enhanced when the NaCl concentration decreased from 100 to 1 mM, which inhibited the bubble-molybdenite attachment. After conditioning the molybdenite surface in 1 ppm polymer solution, it was more difficult for air bubbles to attach to the molybdenite surface due to the weakened hydrophobic interaction with a shorter decay length. Increasing the polymer concentration to 5 ppm effectively inhibited bubble attachment on mineral surface, which was mainly due to the much reduced hydrophobic interaction as well as the additional steric repulsion between the extended polymer chains and bubble surface. The results provide quantitative information on the interaction mechanism between air bubbles and molybdenite mineral surfaces on the nanoscale, with useful implications for the development of effective polymer

Optimal structural inference of signaling pathways from unordered and overlapping gene sets.

Science.gov (United States)

Acharya, Lipi R; Judeh, Thair; Wang, Guangdi; Zhu, Dongxiao

2012-02-15

A plethora of bioinformatics analysis has led to the discovery of numerous gene sets, which can be interpreted as discrete measurements emitted from latent signaling pathways. Their potential to infer signaling pathway structures, however, has not been sufficiently exploited. Existing methods accommodating discrete data do not explicitly consider signal cascading mechanisms that characterize a signaling pathway. Novel computational methods are thus needed to fully utilize gene sets and broaden the scope from focusing only on pairwise interactions to the more general cascading events in the inference of signaling pathway structures. We propose a gene set based simulated annealing (SA) algorithm for the reconstruction of signaling pathway structures. A signaling pathway structure is a directed graph containing up to a few hundred nodes and many overlapping signal cascades, where each cascade represents a chain of molecular interactions from the cell surface to the nucleus. Gene sets in our context refer to discrete sets of genes participating in signal cascades, the basic building blocks of a signaling pathway, with no prior information about gene orderings in the cascades. From a compendium of gene sets related to a pathway, SA aims to search for signal cascades that characterize the optimal signaling pathway structure. In the search process, the extent of overlap among signal cascades is used to measure the optimality of a structure. Throughout, we treat gene sets as random samples from a first-order Markov chain model. We evaluated the performance of SA in three case studies. In the first study conducted on 83 KEGG pathways, SA demonstrated a significantly better performance than Bayesian network methods. Since both SA and Bayesian network methods accommodate discrete data, use a 'search and score' network learning strategy and output a directed network, they can be compared in terms of performance and computational time. In the second study, we compared SA and

Nanophotonic force microscopy: characterizing particle-surface interactions using near-field photonics.

Science.gov (United States)

Schein, Perry; Kang, Pilgyu; O'Dell, Dakota; Erickson, David

2015-02-11

Direct measurements of particle-surface interactions are important for characterizing the stability and behavior of colloidal and nanoparticle suspensions. Current techniques are limited in their ability to measure pico-Newton scale interaction forces on submicrometer particles due to signal detection limits and thermal noise. Here we present a new technique for making measurements in this regime, which we refer to as nanophotonic force microscopy. Using a photonic crystal resonator, we generate a strongly localized region of exponentially decaying, near-field light that allows us to confine small particles close to a surface. From the statistical distribution of the light intensity scattered by the particle we are able to map out the potential well of the trap and directly quantify the repulsive force between the nanoparticle and the surface. As shown in this Letter, our technique is not limited by thermal noise, and therefore, we are able to resolve interaction forces smaller than 1 pN on dielectric particles as small as 100 nm in diameter.

Spectral studies of Lanthanide interactions with membrane surfaces

Energy Technology Data Exchange (ETDEWEB)

Karukstis, K.K.; Kao, M.Y.; Savin, D.A.; Bittker, R.A.; Kaphengst, K.J.; Emetarom, C.M.; Naito, N.R.; Takamoto, D.Y. [Harvey Mudd College, Claremont, CA (United States)

1995-03-23

We have monitored the interactions of the series of trivalent lanthanide cations with the thylakoid membrane surface of spinach chloroplasts using two complementary spectral techniques. Measurements of the fluorescence emission of the extrinsic probe 2-p-toluidinonaphthalene-6-sulfonate (TNS) and the absorbance of the intrinsic chromophore chlorophyll provide two sensitive means of characterizing the dependence of the cation-membrane interaction on the nature of the cation. In these systems, added lanthanide cations adsorb onto the membrane surface to neutralize exposed segments of membrane-embedded protein complexes. The lanthanide-induced charge neutralization increases the proximity of added TNS anion to the membrane surface as evidenced by variations in the TNS fluorescence level and wavelength of maximum emission. Our results reveal a strong dependence of TNS fluorescence parameters on both lanthanide size and total orbital angular momentum L value. Lanthanides with greater charge density (small size and/or low L value) enhance the TNS fluorescence level to a greater extent. A possible origin for the lanthanide-dependent TNS fluorescence levels is suggested in terms of a heterogeneity in the number and type of TNS binding sites. The data are consistent with the proposal that larger lanthanides with smaller enthalpies of hydration induce more significant membrane appression. 59 refs., 9 figs., 2 tabs.

Atom-surface interaction: Zero-point energy formalism

International Nuclear Information System (INIS)

Paranjape, V.V.

1985-01-01

The interaction energy between an atom and a surface formed by a polar medium is derived with use of a new approach based on the zero-point energy formalism. It is shown that the energy depends on the separation Z between the atom and the surface. With increasing Z, the energy decreases according to 1/Z 3 , while with decreasing Z the energy saturates to a finite value. It is also shown that the energy is affected by the velocity of the atom, but this correction is small. Our result for large Z is consistent with the work of Manson and Ritchie [Phys. Rev. B 29, 1084 (1984)], who follow a more traditional approach to the problem

Topological susceptibility from the overlap

DEFF Research Database (Denmark)

Del Debbio, Luigi; Pica, Claudio

2003-01-01

The chiral symmetry at finite lattice spacing of Ginsparg-Wilson fermionic actions constrains the renormalization of the lattice operators; in particular, the topological susceptibility does not require any renormalization, when using a fermionic estimator to define the topological charge....... Therefore, the overlap formalism appears as an appealing candidate to study the continuum limit of the topological susceptibility while keeping the systematic errors under theoretical control. We present results for the SU(3) pure gauge theory using the index of the overlap Dirac operator to study...

Plasma diagnostics surface analysis and interactions

CERN Document Server

Auciello, Orlando

2013-01-01

Plasmas and their interaction with materials have become subjects of major interest because of their importance in modern forefront technologies such as microelectronics, fusion energy, and space. Plasmas are used in microelectronics to process semiconductors (etching of patterns for microcircuits, plasma-induced deposition of thin films, etc.); plasmas produce deleterious erosion effects on surfaces of materials used for fusion devices and spaceships exposed to the low earth environment.Diagnostics of plasmas and materials exposed to them are fundamental to the understanding of the physical a

A cooperative game framework for detecting overlapping communities in social networks

Science.gov (United States)

Jonnalagadda, Annapurna; Kuppusamy, Lakshmanan

2018-02-01

Community detection in social networks is a challenging and complex task, which received much attention from researchers of multiple domains in recent years. The evolution of communities in social networks happens merely due to the self-interest of the nodes. The interesting feature of community structure in social networks is the multi membership of the nodes resulting in overlapping communities. Assuming the nodes of the social network as self-interested players, the dynamics of community formation can be captured in the form of a game. In this paper, we propose a greedy algorithm, namely, Weighted Graph Community Game (WGCG), in order to model the interactions among the self-interested nodes of the social network. The proposed algorithm employs the Shapley value mechanism to discover the inherent communities of the underlying social network. The experimental evaluation on the real-world and synthetic benchmark networks demonstrates that the performance of the proposed algorithm is superior to the state-of-the-art overlapping community detection algorithms.

Interactions of bluff-body obstacles with turbulent airflows affecting evaporative fluxes from porous surfaces

Science.gov (United States)

Haghighi, Erfan; Or, Dani

2015-11-01

Bluff-body obstacles interacting with turbulent airflows are common in many natural and engineering applications (from desert pavement and shrubs over natural surfaces to cylindrical elements in compact heat exchangers). Even with obstacles of simple geometry, their interactions within turbulent airflows result in a complex and unsteady flow field that affects surface drag partitioning and transport of scalars from adjacent evaporating surfaces. Observations of spatio-temporal thermal patterns on evaporating porous surfaces adjacent to bluff-body obstacles depict well-defined and persistent zonation of evaporation rates that were used to construct a simple mechanistic model for surface-turbulence interactions. Results from evaporative drying of sand surfaces with isolated cylindrical elements (bluff bodies) subjected to constant turbulent airflows were in good agreement with model predictions for localized exchange rates. Experimental and theoretical results show persistent enhancement of evaporative fluxes from bluff-rough surfaces relative to smooth flat surfaces under similar conditions. The enhancement is attributed to formation of vortices that induce a thinner boundary layer over part of the interacting surface footprint. For a practical range of air velocities (0.5-4.0 m/s), low-aspect ratio cylindrical bluff elements placed on evaporating sand surfaces enhanced evaporative mass losses (relative to a flat surface) by up to 300% for high density of elements and high wind velocity, similar to observations reported in the literature. Concepts from drag partitioning were used to generalize the model and upscale predictions to evaporation from surfaces with multiple obstacles for potential applications to natural bluff-rough surfaces.

EDITORIAL: Plasma Surface Interactions for Fusion

Science.gov (United States)

2006-05-01

Because plasma-boundary physics encompasses some of the most important unresolved issues for both the International Thermonuclear Experimental Reactor (ITER) project and future fusion power reactors, there is a strong interest in the fusion community for better understanding and characterization of plasma wall interactions. Chemical and physical sputtering cause the erosion of the limiters/divertor plates and vacuum vessel walls (made of C, Be and W, for example) and degrade fusion performance by diluting the fusion fuel and excessively cooling the core, while carbon redeposition could produce long-term in-vessel tritium retention, degrading the superior thermo-mechanical properties of the carbon materials. Mixed plasma-facing materials are proposed, requiring optimization for different power and particle flux characteristics. Knowledge of material properties as well as characteristics of the plasma material interaction are prerequisites for such optimizations. Computational power will soon reach hundreds of teraflops, so that theoretical and plasma science expertise can be matched with new experimental capabilities in order to mount a strong response to these challenges. To begin to address such questions, a Workshop on New Directions for Advanced Computer Simulations and Experiments in Fusion-Related Plasma Surface Interactions for Fusion (PSIF) was held at the Oak Ridge National Laboratory from 21 to 23 March, 2005. The purpose of the workshop was to bring together researchers in fusion related plasma wall interactions in order to address these topics and to identify the most needed and promising directions for study, to exchange opinions on the present depth of knowledge of surface properties for the main fusion-related materials, e.g., C, Be and W, especially for sputtering, reflection, and deuterium (tritium) retention properties. The goal was to suggest the most important next steps needed for such basic computational and experimental work to be facilitated

A model system for carbohydrates interactions on single-crystalline Ru surfaces

Energy Technology Data Exchange (ETDEWEB)

Nguyen, Thanh Nam

2015-07-01

In this thesis, I present a model system for carbohydrate interactions with single-crystalline Ru surfaces. Geometric and electronic properties of copper phthalocyanine (CuPc) on top of graphene on hexagonal Ru(0001), rectangular Ru(10 anti 10) and vicinal Ru(1,1, anti 2,10) surfaces have been studied. First, the Fermi surfaces and band structures of the three Ru surfaces were investigated by high-resolution angle-resolved photoemission spectroscopy. The experimental data and theoretical calculations allow to derive detailed information about the momentum-resolved electronic structure. The results can be used as a reference to understand the chemical and catalytic properties of Ru surfaces. Second, graphene layers were prepared on the three different Ru surfaces. Using low-energy electron diffraction and scanning tunneling microscopy, it was found that graphene can be grown in well-ordered structures on all three surfaces, hexagonal Ru(0001), rectangular Ru(10 anti 10) and vicinal Ru(1,1, anti 2,10), although they have different surface symmetries. Evidence for a strong interaction between graphene and Ru surfaces is a 1.3-1.7 eV increase in the graphene π-bands binding energy with respect to free-standing graphene sheets. This energy variation is due to the hybridization between the graphene pi bands and the Ru 4d electrons, while the lattice mismatch does not play an important role in the bonding between graphene and Ru surfaces. Finally, the geometric and electronic structures of CuPc on Ru(10 anti 10), graphene/Ru(10 anti 10), and graphene/Ru(0001) have been studied in detail. CuPc molecules can be grown well-ordered on Ru(10 anti 10) but not on Ru(0001). The growth of CuPc on graphene/Ru(10 anti 10) and Ru(0001) is dominated by the Moire pattern of graphene. CuPc molecules form well-ordered structures with rectangular unit cells on graphene/Ru(10 anti 10) and Ru(0001). The distance of adjacent CuPc molecules is 15±0.5 Aa and 13±0.5 Aa on graphene/Ru(0001

Finding overlapping communities in multilayer networks.

Science.gov (United States)

Liu, Weiyi; Suzumura, Toyotaro; Ji, Hongyu; Hu, Guangmin

2018-01-01

Finding communities in multilayer networks is a vital step in understanding the structure and dynamics of these layers, where each layer represents a particular type of relationship between nodes in the natural world. However, most community discovery methods for multilayer networks may ignore the interplay between layers or the unique topological structure in a layer. Moreover, most of them can only detect non-overlapping communities. In this paper, we propose a new community discovery method for multilayer networks, which leverages the interplay between layers and the unique topology in a layer to reveal overlapping communities. Through a comprehensive analysis of edge behaviors within and across layers, we first calculate the similarities for edges from the same layer and the cross layers. Then, by leveraging these similarities, we can construct a dendrogram for the multilayer networks that takes both the unique topological structure and the important interplay into consideration. Finally, by introducing a new community density metric for multilayer networks, we can cut the dendrogram to get the overlapping communities for these layers. By applying our method on both synthetic and real-world datasets, we demonstrate that our method has an accurate performance in discovering overlapping communities in multilayer networks.

Electron-phonon interaction on an Al(001) surface

International Nuclear Information System (INIS)

Sklyadneva, I Yu; Chulkov, E V; Echenique, P M

2008-01-01

We report an ab initio study of the electron-phonon (e-ph) interaction and its contribution to the lifetime broadening of excited hole (electron) surface states on Al(001). The calculations based on density-functional theory were carried out using a linear response approach in the plane-wave pseudopotential representation. The obtained results show that both the electron-phonon coupling and the linewidth experience a weak variation with the energy and momentum position of a hole (electron) surface state in the energy band. An analysis of different contributions to the e-ph coupling reveals that bulk phonon modes turn out to be more involved in the scattering processes of excited electrons and holes than surface phonon modes. It is also shown that the role of the e-ph coupling in the broadening of the Rayleigh surface phonon mode is insignificant compared to anharmonic effects

Surface-state mediated three-adsorbate interaction: exact and numerical results and simple asymptotic expression

International Nuclear Information System (INIS)

Hyldgaard, Per; Einstein, T.L.

2003-01-01

The interaction energy of three adsorbates on a surface consists of the sum of the three-pair interactions plus a trio contribution produced primarily by interference of electrons which traverse the entire perimeter, d 123 , of the three-adsorbate cluster. Here, we investigate this three-adatom interaction when mediated by the isotropic Shockley surface-state band found on noble-metal (1 1 1) surfaces, extending work on pair interactions. Our experimentally testable result depends on the s-wave phase-shift, characterizing the standing-wave patterns seen in scanning-tunneling microscopy (STM) images. Compared with the adsorbate-pair interactions, and in contrast to bulk-mediated interactions, the trio contribution exhibits a slightly weaker amplitude and a slightly faster asymptotic envelope decay, d 123 -5/2 . It also has a different but well-defined oscillation period dependent on d 123 and little dependence on the shape of the cluster. We finally compare the asymptotic description with exact model calculations assuming short-range interactions, which are viable even in the non-asymptotic range (when not outweighed by bulk-mediated interactions)

Argon ion beam interaction on polyethylene terephthalate surface by ...

Indian Academy of Sciences (India)

discharge treatment and laser irradiation are used. ... vation: where the interaction of plasma with the polymer involves both gas and surface .... that of metals [17]. ... with atmospheric constituents such as oxygen, water vapour and CO2 reduce ...

Interleaved neuromuscular electrical stimulation: Motor unit recruitment overlap.

Science.gov (United States)

Wiest, Matheus J; Bergquist, Austin J; Schimidt, Helen L; Jones, Kelvin E; Collins, David F

2017-04-01

In this study, we quantified the "overlap" between motor units recruited by single pulses of neuromuscular electrical stimulation (NMES) delivered over the tibialis anterior muscle (mNMES) and the common peroneal nerve (nNMES). We then quantified the torque produced when pulses were alternated between the mNMES and nNMES sites at 40 Hz ("interleaved" NMES; iNMES). Overlap was assessed by comparing torque produced by twitches evoked by mNMES, nNMES, and both delivered together, over a range of stimulus intensities. Trains of iNMES were delivered at the intensity that produced the lowest overlap. Overlap was lowest (5%) when twitches evoked by both mNMES and nNMES produced 10% peak twitch torque. iNMES delivered at this intensity generated 25% of maximal voluntary dorsiflexion torque (11 Nm). Low intensity iNMES leads to low overlap and produces torque that is functionally relevant to evoke dorsiflexion during walking. Muscle Nerve 55: 490-499, 2017. © 2016 Wiley Periodicals, Inc.

Interaction of antihydrogen with ordinary atoms and solid surfaces

Energy Technology Data Exchange (ETDEWEB)

Froelich, Piotr, E-mail: piotr.froelich@kvac.uu.se; Voronin, Alexei [P.N. Lebedev Physical Institute (Russian Federation)

2012-12-15

The characteristic features of cold atom-antiatom collisions and antiatom-surface interactions are discussed and illustrated by the results for hydrogen-antihydrogen scattering and for quantum reflection of ultracold antihydrogen from a metallic surface. We discuss in some detail the case of spin-exchange in ultracold H-bar - H collisions, exposing the interplay of Coulombic, strong and dispersive forces, and demonstrating the sensitivity of the spin-exchange cross sections to hypothetical violations of Charge-Parity-Time (CPT) symmetry.

Extractable Bacterial Surface Proteins in Probiotic–Host Interaction

Directory of Open Access Journals (Sweden)

Fillipe L. R. do Carmo

2018-04-01

Full Text Available Some Gram-positive bacteria, including probiotic ones, are covered with an external proteinaceous layer called a surface-layer. Described as a paracrystalline layer and formed by the self-assembly of a surface-layer-protein (Slp, this optional structure is peculiar. The surface layer per se is conserved and encountered in many prokaryotes. However, the sequence of the corresponding Slp protein is highly variable among bacterial species, or even among strains of the same species. Other proteins, including surface layer associated proteins (SLAPs, and other non-covalently surface-bound proteins may also be extracted with this surface structure. They can be involved a various functions. In probiotic Gram-positives, they were shown by different authors and experimental approaches to play a role in key interactions with the host. Depending on the species, and sometime on the strain, they can be involved in stress tolerance, in survival within the host digestive tract, in adhesion to host cells or mucus, or in the modulation of intestinal inflammation. Future trends include the valorization of their properties in the formation of nanoparticles, coating and encapsulation, and in the development of new vaccines.

Cytochrome c interaction with hematite ({alpha}-Fe{sub 2}O{sub 3}) surfaces

Energy Technology Data Exchange (ETDEWEB)

Eggleston, Carrick M. [Department of Geology and Geophysics, University of Wyoming, Laramie, WY 82071 (United States)]. E-mail: carrick@uwyo.edu; Khare, Nidhi [Department of Geology and Geophysics, University of Wyoming, Laramie, WY 82071 (United States); Lovelace, David M. [Department of Geology and Geophysics, University of Wyoming, Laramie, WY 82071 (United States)

2006-02-15

The interaction of metalloproteins such as cytochromes with oxides is of interest for a number of reasons, including molecular catalysis of environmentally important mineral-solution electron transfer reactions (e.g., dehalogenations) and photovoltaic applications. Iron reduction by bacteria, thought to be cytochrome mediated, is of interest for geochemical and environmental remediation reasons. As a baseline for understanding cytochrome interaction with ferric oxide surfaces, we report on the interaction of mitochondrial cytochrome c (Mcc), a well-studied protein, with hematite ({alpha}-Fe{sub 2}O{sub 3}) surfaces. Mcc sorbs strongly to hematite from aqueous solution in a narrow pH range corresponding to opposite charge on Mcc and hematite (between pH 8.5 and 10, Mcc is positively charged and hematite surfaces are negatively charged). Cyclic voltammetry of Mcc using hematite electrodes gives redox potentials characteristic of Mcc in a native conformational state, with no evidence for unfolding on the hematite surface. Atomic force microscopy imaging is consistent with a loosely attached adsorbate that is easily deformed by the AFM tip. In phosphate-containing solution, Mcc adhers to the surface more strongly. These results establish hematite as a viable material for electrochemical and spectroscopic characterization of cytochrome-mineral interaction.

Transiting topological sectors with the overlap

International Nuclear Information System (INIS)

Creutz, Michael

2003-01-01

The overlap operator provides an elegant definition for the winding number of lattice gauge field configurations. Only for a set of configurations of measure zero is this procedure undefined. Without restrictions on the lattice fields, however, the space of gauge fields is simply connected. I present a simple low dimensional illustration of how the eigenvalues of a truncated overlap operator flow as one travels between different topological sectors

Microbe-surface interactions in biofouling and biocorrosion processes.

Science.gov (United States)

Beech, Iwona B; Sunner, Jan A; Hiraoka, Kenzo

2005-09-01

The presence of microorganisms on material surfaces can have a profound effect on materials performance. Surface-associated microbial growth, i.e. a biofilm, is known to instigate biofouling. The presence of biofilms may promote interfacial physico-chemical reactions that are not favored under abiotic conditions. In the case of metallic materials, undesirable changes in material properties due to a biofilm (or a biofouling layer) are referred to as biocorrosion or microbially influenced corrosion (MIC). Biofouling and biocorrosion occur in aquatic and terrestrial habitats varying in nutrient content, temperature, pressure and pH. Interfacial chemistry in such systems reflects a wide variety of physiological activities carried out by diverse microbial populations thriving within biofilms. Biocorrosion can be viewed as a consequence of coupled biological and abiotic electron-transfer reactions, i.e. redox reactions of metals, enabled by microbial ecology. Microbially produced extracellular polymeric substances (EPS), which comprise different macromolecules, mediate initial cell adhesion to the material surface and constitute a biofilm matrix. Despite their unquestionable importance in biofilm development, the extent to which EPS contribute to biocorrosion is not well-understood. This review offers a current perspective on material/microbe interactions pertinent to biocorrosion and biofouling, with EPS as a focal point, while emphasizing the role atomic force spectroscopy and mass spectrometry techniques can play in elucidating such interactions.

Lateral phase separation of mixed polymer brushes on planar and spherical surfaces

Science.gov (United States)

van Lehn, Reid; Alexander-Katz, Alfredo

2012-02-01

A mixed polymer brush consists of two (or more) polymer species grafted to a surface at a high density, inducing the polymers to highly stretch to maximize favorable solvent interactions while minimizing polymer overlap. The enthalpic and entropic interactions between the different polymers give rise to lateral phase behavior on the surface. Understanding this phase separation behavior is interesting for applications in nanotemplating and controlled protein adsorption. In this work, we present a novel theoretical model to quickly predict lateral phase separated morphologies of mixed polymer brushes on planar, cylindrical and spherical surfaces. The model combines a Flory-Huggins model for enthalpic interactions between the polymer components with an Alexander-de Gennes model for the entropy of the brush layers. When there is a length difference between the polymer components, these two interactions along with the conformational entropy of the system lead to a range of morphologies including stripes, dimples, mixing, and complete phase separation. The computational efficiency of this model allows for phase diagrams to be generated with great accuracy. The results of our model thus allow for the fast prediction of lateral morphologies on different geometries.

Dynamic interactions of Leidenfrost droplets on liquid metal surface

Science.gov (United States)

Ding, Yujie; Liu, Jing

2016-09-01

Leidenfrost dynamic interaction effects of the isopentane droplets on the surface of heated liquid metal were disclosed. Unlike conventional rigid metal, such conductive and deformable liquid metal surface enables the levitating droplets to demonstrate rather abundant and complex dynamics. The Leidenfrost droplets at different diameters present diverse morphologies and behaviors like rotation and oscillation. Depending on the distance between the evaporating droplets, they attract and repulse each other through the curved surfaces beneath them and their vapor flows. With high boiling point up to 2000 °C, liquid metal offers a unique platform for testing the evaporating properties of a wide variety of liquid even solid.

Analysis the complex interaction among flexible nanoparticles and materials surface in the mechanical polishing process

Energy Technology Data Exchange (ETDEWEB)

Han Xuesong, E-mail: hanxuesongphd@yahoo.com.cn [School of Mechanical Engineering, Tianjin University, 300072 (China); Gan, Yong X. [Department of Mechanical, Industrial and Manufacturing Engineering, University of Toledo, OH 43606 (United States)

2011-02-01

Mechanical polishing (MP), being the important technique of realizing the surface planarization, has already been widely applied in the area of microelectronic manufacturing and computer manufacturing technology. The surface planarization in the MP is mainly realized by mechanical process which depended on the microdynamic behavior of nanoparticle. The complex multibody interaction among nanoparticles and materials surface is different from interaction in the macroscopic multibody system which makes the traditional classical materials machining theory cannot accurately uncover the mystery of the surface generation in the MP. Large-scale classical molecular dynamic (MD) simulation of interaction among nanoparticles and solid surface has been carried out to investigate the physical essence of surface planarization. The particles with small impact angle can generate more uniform global planarization surface but the materials removal rate is lower. The shear interaction between particle and substrate may induce large friction torque and lead to the rotation of particle. The translation plus rotation makes the nanoparticle behaved like micro-milling tool. The results show that the nanoparticles may aggregrate together and form larger cluster thus deteriorate surface the quality. This MD simulation results illuminate that the f inal planarized surface can only be acquired by synergic behavior of all particles using various means such as cutting, impacting, scratching, indentation and so on.

Capacitance, charge dynamics, and electrolyte-surface interactions in functionalized carbide-derived carbon electrodes

Directory of Open Access Journals (Sweden)

Boris Dyatkin

2015-12-01

Full Text Available This study analyzed the dynamics of ionic liquid electrolyte inside of defunctionalized, hydrogenated, and aminated pores of carbide-derived carbon supercapacitor electrodes. The approach tailors surface functionalities and tunes nanoporous structures to decouple the influence of pore wall composition on capacitance, ionic resistance, and long-term cyclability. Quasi-elastic neutron scattering probes the self-diffusion properties and electrode-ion interactions of electrolyte molecules confined in functionalized pores. Room-temperature ionic liquid interactions in confined pores are strongest when the hydrogen-containing groups are present on the surface. This property translates into higher capacitance and greater ion transport through pores during electrochemical cycling. Unlike hydrogenated pores, aminated pores do not favorably interact with ionic liquid ions and, subsequently, are outperformed by defunctionalized surfaces.

Capacitance, charge dynamics, and electrolyte-surface interactions in functionalized carbide-derived carbon electrodes

Energy Technology Data Exchange (ETDEWEB)

Dyatkin, Boris; Mamontov, Eugene; Cook, Kevin M.; Gogotsi, Yury

2015-12-01

This study analyzed the dynamics of ionic liquid electrolyte inside of defunctionalized, hydrogenated, and aminated pores of carbide-derived carbon supercapacitor electrodes. The approach tailors surface functionalities and tunes nanoporous structures to decouple the influence of pore wall composition on capacitance, ionic resistance, and long-term cyclability. Quasi-elastic neutron scattering probes the self-diffusion properties and electrode-ion interactions of electrolyte molecules confined in functionalized pores. Room-temperature ionic liquid interactions in confined pores are strongest when the hydrogen-containing groups are present on the surface. This property translates into higher capacitance and greater ion transport through pores during electrochemical cycling. Unlike hydrogenated pores, aminated pores do not favorably interact with ionic liquid ions and, subsequently, are outperformed by defunctionalized surfaces.

Numerical properties of staggered overlap fermions

CERN Document Server

de Forcrand, Philippe; Panero, Marco

2010-01-01

We report the results of a numerical study of staggered overlap fermions, following the construction of Adams which reduces the number of tastes from 4 to 2 without fine-tuning. We study the sensitivity of the operator to the topology of the gauge field, its locality and its robustness to fluctuations of the gauge field. We make a first estimate of the computing cost of a quark propagator calculation, and compare with Neuberger's overlap.

AFM Colloidal Probe Measurements Implicate Capillary Condensation in Punch-Particle Surface Interactions during Tableting.

Science.gov (United States)

Badal Tejedor, Maria; Nordgren, Niklas; Schuleit, Michael; Millqvist-Fureby, Anna; Rutland, Mark W

2017-11-21

Adhesion of the powders to the punches is a common issue during tableting. This phenomenon is known as sticking and affects the quality of the manufactured tablets. Defective tablets increase the cost of the manufacturing process. Thus, the ability to predict the tableting performance of the formulation blend before the process is scaled-up is important. The adhesive propensity of the powder to the tableting tools is mostly governed by the surface-surface adhesive interactions. Atomic force microscopy (AFM) colloidal probe is a surface characterization technique that allows the measurement of the adhesive interactions between two materials of interest. In this study, AFM steel colloidal probe measurements were performed on ibuprofen, MCC (microcrystalline cellulose), α-lactose monohydrate, and spray-dried lactose particles as an approach to modeling the punch-particle surface interactions during tableting. The excipients (lactose and MCC) showed constant, small, attractive, and adhesive forces toward the steel surface after a repeated number of contacts. In comparison, ibuprofen displayed a much larger attractive and adhesive interaction increasing over time both in magnitude and in jump-in/jump-out separation distance. The type of interaction acting on the excipient-steel interface can be related to a van der Waals force, which is relatively weak and short-ranged. By contrast, the ibuprofen-steel interaction is described by a capillary force profile. Even though ibuprofen is not highly hydrophilic, the relatively smooth surfaces of the crystals allow "contact flooding" upon contact with the steel probe. Capillary forces increase because of the "harvesting" of moisture-due to the fast condensation kinetics-leaving a residual condensate that contributes to increase the interaction force after each consecutive contact. Local asperity contacts on the more hydrophilic surface of the excipients prevent the flooding of the contact zone, and there is no such adhesive

Semiautomated segmentation of blood vessels using ellipse-overlap criteria: Method and comparison to manual editing

International Nuclear Information System (INIS)

Shiffman, Smadar; Rubin, Geoffrey D.; Schraedley-Desmond, Pamela; Napel, Sandy

2003-01-01

Two-dimensional intensity-based methods for the segmentation of blood vessels from computed-tomography-angiography data often result in spurious segments that originate from other objects whose intensity distributions overlap with those of the vessels. When segmented images include spurious segments, additional methods are required to select segments that belong to the target vessels. We describe a method that allows experts to select vessel segments from sequences of segmented images with little effort. Our method uses ellipse-overlap criteria to differentiate between segments that belong to different objects and are separated in plane but are connected in the through-plane direction. To validate our method, we used it to extract vessel regions from volumes that were segmented via analysis of isolabel-contour maps, and showed that the difference between the results of our method and manually-edited results was within inter-expert variability. Although the total editing duration for our method, which included user-interaction and computer processing, exceeded that of manual editing, the extent of user interaction required for our method was about a fifth of that required for manual editing

Pre-evaluation and interactive editing of B-spline and GERBS curves and surfaces

Science.gov (United States)

Laksâ, Arne

2017-12-01

Interactive computer based geometry editing is very useful for designers and artists. Our goal has been to develop useful tools for geometry editing in a way that increases the ability for creative design. When we interactively editing geometry, we want to see the change happening gradually and smoothly on the screen. Pre-evaluation is a tool for increasing the speed of the graphics when doing interactive affine operation on control points and control surfaces. It is then possible to add details on surfaces, and change shape in a smooth and continuous way. We use pre-evaluation on basis functions, on blending functions and on local surfaces. Pre-evaluation can be made hierarchi-cally and is thus useful for local refinements. Sampling and plotting of curves, surfaces and volumes can today be handled by the GPU and it is therefore important to have a structured organization and updating system to be able to make interactive editing as smooth and user friendly as possible. In the following, we will show a structure for pre-evaluation and an optimal organisation of the computation and we will show the effect of implementing both of these techniques.

The surface chemistry determines the spatio-temporal interaction dynamics of quantum dots in atherosclerotic lesions.

Science.gov (United States)

Uhl, Bernd; Hirn, Stephanie; Mildner, Karina; Coletti, Raffaele; Massberg, Steffen; Reichel, Christoph A; Rehberg, Markus; Zeuschner, Dagmar; Krombach, Fritz

2018-03-01

To optimize the design of nanoparticles for diagnosis or therapy of vascular diseases, it is mandatory to characterize the determinants of nano-bio interactions in vascular lesions. Using ex vivo and in vivo microscopy, we analyzed the interactive behavior of quantum dots with different surface functionalizations in atherosclerotic lesions of ApoE-deficient mice. We demonstrate that quantum dots with different surface functionalizations exhibit specific interactive behaviors with distinct molecular and cellular components of the injured vessel wall. Moreover, we show a role for fibrinogen in the regulation of the spatio-temporal interaction dynamics in atherosclerotic lesions. Our findings emphasize the relevance of surface chemistry-driven nano-bio interactions on the differential in vivo behavior of nanoparticles in diseased tissue.

Color surface-flow visualization of fin-generated shock wave boundary-layer interactions

Science.gov (United States)

Lu, F. K.; Settles, G. S.

1990-03-01

Kerosene-lampblack mixtures with addition of a ground colored chalk were used in an experiment on visualizing surface flows of swept shock boundary-layer interactions. The results show that contrasting colors intensify the visualization of different regions of the interaction surface, and help the eye in following the fine streaks to locate the upstream influence. The study confirms observations of the separation occurring at shock strength below accepted values. The superiority of the reported technique over the previous monochrome technique is demonstrated.

Grid adaptation using chimera composite overlapping meshes

Science.gov (United States)

Kao, Kai-Hsiung; Liou, Meng-Sing; Chow, Chuen-Yen

1994-01-01

The objective of this paper is to perform grid adaptation using composite overlapping meshes in regions of large gradient to accurately capture the salient features during computation. The chimera grid scheme, a multiple overset mesh technique, is used in combination with a Navier-Stokes solver. The numerical solution is first converged to a steady state based on an initial coarse mesh. Solution-adaptive enhancement is then performed by using a secondary fine grid system which oversets on top of the base grid in the high-gradient region, but without requiring the mesh boundaries to join in any special way. Communications through boundary interfaces between those separated grids are carried out using trilinear interpolation. Application to the Euler equations for shock reflections and to shock wave/boundary layer interaction problem are tested. With the present method, the salient features are well-resolved.

Prediction of Protein-Protein Interactions Related to Protein Complexes Based on Protein Interaction Networks

Directory of Open Access Journals (Sweden)

Peng Liu

2015-01-01

Full Text Available A method for predicting protein-protein interactions based on detected protein complexes is proposed to repair deficient interactions derived from high-throughput biological experiments. Protein complexes are pruned and decomposed into small parts based on the adaptive k-cores method to predict protein-protein interactions associated with the complexes. The proposed method is adaptive to protein complexes with different structure, number, and size of nodes in a protein-protein interaction network. Based on different complex sets detected by various algorithms, we can obtain different prediction sets of protein-protein interactions. The reliability of the predicted interaction sets is proved by using estimations with statistical tests and direct confirmation of the biological data. In comparison with the approaches which predict the interactions based on the cliques, the overlap of the predictions is small. Similarly, the overlaps among the predicted sets of interactions derived from various complex sets are also small. Thus, every predicted set of interactions may complement and improve the quality of the original network data. Meanwhile, the predictions from the proposed method replenish protein-protein interactions associated with protein complexes using only the network topology.

Chemical and Physical Interactions of Martian Surface Material

Science.gov (United States)

Bishop, J. L.

1999-09-01

A model of alteration and maturation of the Martian surface material is described involving both chemical and physical interactions. Physical processes involve distribution and mixing of the fine-grained soil particles across the surface and into the atmosphere. Chemical processes include reaction of sulfate, salt and oxidizing components of the soil particles; these agents in the soils deposited on rocks will chew through the rock minerals forming coatings and will bind surface soils together to form duricrust deposits. Formation of crystalline iron oxide/oxyhydroxide minerals through hydrothermal processes and of poorly crystalline and amorphous phases through palagonitic processes both contribute to formation of the soil particles. Chemical and physical alteration of these soil minerals and phases contribute to producing the chemical, magnetic and spectroscopic character of the Martian soil as observed by Mars Pathfinder and Mars Global Surveyor. Minerals such as maghemite/magnetite and jarosite/alunite have been observed in terrestrial volcanic soils near steam vents and may be important components of the Martian surface material. The spectroscopic properties of several terrestrial volcanic soils containing these minerals have been analyzed and evaluated in terms of the spectroscopic character of the surface material on Mars.

On the interaction between ocean surface waves and seamounts

Science.gov (United States)

Sosa, Jeison; Cavaleri, Luigi; Portilla-Yandún, Jesús

2017-12-01

Of the many topographic features, more specifically seamounts, that are ubiquitous in the ocean floor, we focus our attention on those with relatively shallow summits that can interact with wind-generated surface waves. Among these, especially relatively long waves crossing the oceans (swells) and stormy seas are able to affect the water column up to a considerable depth and therefore interact with these deep-sea features. We quantify this interaction through numerical experiments using a numerical wave model (SWAN), in which a simply shaped seamount is exposed to waves of different length. The results show a strong interaction that leads to significant changes in the wave field, creating wake zones and regions of large wave amplification. This is then exemplified in a practical case where we analyze the interaction of more realistic sea conditions with a very shallow rock in the Yellow Sea. Potentially important for navigation and erosion processes, mutatis mutandis, these results are also indicative of possible interactions with emerged islands and sand banks in shelf seas.

Capillary Assembly of Colloids: Interactions on Planar and Curved Interfaces

Science.gov (United States)

Liu, Iris B.; Sharifi-Mood, Nima; Stebe, Kathleen J.

2018-03-01

In directed assembly, small building blocks are assembled into an organized structure under the influence of guiding fields. Capillary interactions provide a versatile route for structure formation. Colloids adsorbed on fluid interfaces distort the interface, which creates an associated energy field. When neighboring distortions overlap, colloids interact to minimize interfacial area. Contact line pinning, particle shape, and surface chemistry play important roles in structure formation. Interface curvature acts like an external field; particles migrate and assemble in patterns dictated by curvature gradients. We review basic analysis and recent findings in this rapidly evolving literature. Understanding the roles of assembly is essential for tuning the mechanical, physical, and optical properties of the structure.

Towards reconstruction of overlapping fingerprints using plasma spectroscopy

Science.gov (United States)

Yang, Jun-Ho; Choi, Soo-Jin; Yoh, Jack J.

2017-08-01

Chemical analysis is commonly used in the field of forensic science where the precise discrimination of primary evidence is of significant importance. Laser-Induced Breakdown Spectroscopy (LIBS) exceeds other spectroscopic methods in terms of the time required for pre- and post-sample preparation, the insensitivity to sample phase state be it solid, liquid, or gas, and the detection of two-dimensional spectral mapping from real time point measurements. In this research, fingerprint samples on various surface materials are considered in the chemical detection and reconstruction of fingerprints using the two-dimensional LIBS technique. Strong and distinct intensities of specific wavelengths represent visible ink, natural secretion of sweat, and contaminants from the environment, all of which can be present in latent fingerprints. The particular aim of the work presented here is to enhance the precision of the two-dimensional recreation of the fingerprints present on metal, plastic, and artificially prepared soil surface using LIBS with principal component analysis. By applying a distinct wavelength discrimination for two overlapping fingerprint samples, separation into two non-identical chemical fingerprints was successfully performed.

Tribochemical interaction between nanoparticles and surfaces of selective layer during chemical mechanical polishing

International Nuclear Information System (INIS)

Ilie, Filip

2013-01-01

Nanoparticles have been widely used in polish slurries such as those in the chemical mechanical polishing (CMP) process. For understanding the mechanisms of CMP, an atomic force microscope (AFM) is used to characterize polished surfaces of selective layers, after a set of polishing experiments. To optimize the CMP polishing process, one needs to get information on the interaction between the nano-abrasive slurry nanoparticles and the surface of selective layer being polished. The slurry used in CMP process of the solid surfaces is slurry with large nanoparticle size colloidal silica sol nano-abrasives. Silica sol nano-abrasives with large nanoparticle are prepared and characterized by transmission electron microscopy, particles colloidal size, and Zeta potential in this paper. The movement of nanoparticles in liquid and the interaction between nanoparticles and solid surfaces coating with selective layer are very important to obtain an atomic alloy smooth surface in the CMP process. We investigate the nanoparticle adhesion and removal processes during CMP and post-CMP cleaning. The mechanical interaction between nanoparticles and the wafer surface was studied using a microcontact wear model. This model considers the nanoparticle effects between the polishing interfaces during load balancing. Experimental results on polishing and cleaning are compared with numerical analysis. This paper suggests that during post-CMP cleaning, a combined effort in chemical and mechanical interaction (tribochemical interactions) would be effective in removal of small nanoparticles during cleaning. For large nanoparticles, more mechanical forces would be more effective. CMP results show that the removal rate has been improved to 367 nm/min and root mean square (RMS) of roughness has been reduced from 4.4 to 0.80 nm. Also, the results show that the silica sol nano-abrasives about 100 nm are of higher stability (Zeta potential is −65 mV) and narrow distribution of nanoparticle

New tools to analyze overlapping coding regions.

Science.gov (United States)

Bayegan, Amir H; Garcia-Martin, Juan Antonio; Clote, Peter

2016-12-13

Retroviruses transcribe messenger RNA for the overlapping Gag and Gag-Pol polyproteins, by using a programmed -1 ribosomal frameshift which requires a slippery sequence and an immediate downstream stem-loop secondary structure, together called frameshift stimulating signal (FSS). It follows that the molecular evolution of this genomic region of HIV-1 is highly constrained, since the retroviral genome must contain a slippery sequence (sequence constraint), code appropriate peptides in reading frames 0 and 1 (coding requirements), and form a thermodynamically stable stem-loop secondary structure (structure requirement). We describe a unique computational tool, RNAsampleCDS, designed to compute the number of RNA sequences that code two (or more) peptides p,q in overlapping reading frames, that are identical (or have BLOSUM/PAM similarity that exceeds a user-specified value) to the input peptides p,q. RNAsampleCDS then samples a user-specified number of messenger RNAs that code such peptides; alternatively, RNAsampleCDS can exactly compute the position-specific scoring matrix and codon usage bias for all such RNA sequences. Our software allows the user to stipulate overlapping coding requirements for all 6 possible reading frames simultaneously, even allowing IUPAC constraints on RNA sequences and fixing GC-content. We generalize the notion of codon preference index (CPI) to overlapping reading frames, and use RNAsampleCDS to generate control sequences required in the computation of CPI. Moreover, by applying RNAsampleCDS, we are able to quantify the extent to which the overlapping coding requirement in HIV-1 [resp. HCV] contribute to the formation of the stem-loop [resp. double stem-loop] secondary structure known as the frameshift stimulating signal. Using our software, we confirm that certain experimentally determined deleterious HCV mutations occur in positions for which our software RNAsampleCDS and RNAiFold both indicate a single possible nucleotide. We

Integrated modeling of groundwater–surface water interactions in a tile-drained agricultural field

NARCIS (Netherlands)

Rosemeijer, J.C.; Velde, van der Y.; McLaren, R.G.; Geer, van F.C.; Broers, H.P.; Bierkens, M.F.P.

2010-01-01

Understanding the dynamics of groundwater–surface water interaction is needed to evaluate and simulate water and solute transport in catchments. However, direct measurements of the contributions of different flow routes from specific surfaces within a catchment toward the surface water are rarely

Spectral analysis of vortex/free-surface interaction

OpenAIRE

Hofert, Glenn D.

1994-01-01

The unsteady flow phenomena resulting from the interaction of vorticity with a free surface has been investigated through the use of a three- color Laser Doppler-Velocimeter. The vorticity field was provided by a single tip vortex generated by an airfoil, placed in the test section of a recirculating water tunnel at a suitable angle of attack. All of the statistical quantities of flow such as turbulence and Reynolds stresses and in particular the spectrum of the fluctuations have been measure...

On modeling biomolecular–surface nonbonded interactions: application to nucleobase adsorption on single-wall carbon nanotube surfaces

International Nuclear Information System (INIS)

Akdim, B; Pachter, R; Day, P N; Kim, S S; Naik, R R

2012-01-01

In this work we explored the selectivity of single nucleobases towards adsorption on chiral single-wall carbon nanotubes (SWCNTs) by density functional theory calculations. Specifically, the adsorption of molecular models of guanine (G), adenine (A), thymine (T), and cytosine (C), as well as of AT and GC Watson–Crick (WC) base pairs on chiral SWCNT C(6, 5), C(9, 1) and C(8, 3) model structures, was analyzed in detail. The importance of correcting the exchange–correlation functional for London dispersion was clearly demonstrated, yet limitations in modeling such interactions by considering the SWCNT as a molecular model may mask subtle effects in a molecular–macroscopic material system. The trend in the calculated adsorption energies of the nucleobases on same diameter C(6, 5) and C(9, 1) SWCNT surfaces, i.e. G > A > T > C, was consistent with related computations and experimental work on graphitic surfaces, however contradicting experimental data on the adsorption of single-strand short homo-oligonucleotides on SWCNTs that demonstrated a trend of G > C > A > T (Albertorio et al 2009 Nanotechnology 20 395101). A possible role of electrostatic interactions in this case was partially captured by applying the effective fragment potential method, emphasizing that the interplay of the various contributions in modeling nonbonded interactions is complicated by theoretical limitations. Finally, because the calculated adsorption energies for Watson–Crick base pairs have shown little effect upon adsorption of the base pair farther from the surface, the results on SWCNT sorting by salmon genomic DNA could be indicative of partial unfolding of the double helix upon adsorption on the SWCNT surface. (paper)

Pattern overlap implies runaway growth in hierarchical tile systems

Directory of Open Access Journals (Sweden)

David Doty

2015-11-01

Full Text Available We show that in the hierarchical tile assembly model, if there is a producible assembly that overlaps a nontrivial translation of itself consistently (i.e., the pattern of tile types in the overlap region is identical in both translations, then arbitrarily large assemblies are producible. The significance of this result is that tile systems intended to controllably produce finite structures must avoid pattern repetition in their producible assemblies that would lead to such overlap.This answers an open question of Chen and Doty (SODA 2012, who showed that so-called "partial-order" systems producing a unique finite assembly and avoiding such overlaps must require time linear in the assembly diameter. An application of our main result is that any system producing a unique finite assembly is automatically guaranteed to avoid such overlaps, simplifying the hypothesis of Chen and Doty's main theorem.

Towards a Revised Monte Carlo Neutral Particle Surface Interaction Model

International Nuclear Information System (INIS)

Stotler, D.P.

2005-01-01

The components of the neutral- and plasma-surface interaction model used in the Monte Carlo neutral transport code DEGAS 2 are reviewed. The idealized surfaces and processes handled by that model are inadequate for accurately simulating neutral transport behavior in present day and future fusion devices. We identify some of the physical processes missing from the model, such as mixed materials and implanted hydrogen, and make some suggestions for improving the model

Impact of river restoration on groundwater - surface water - interactions

Science.gov (United States)

Kurth, Anne-Marie; Schirmer, Mario

2014-05-01

Since the end of the 19th century, flood protection was increasingly based on the construction of impermeable dams and side walls (BWG, 2003). In spite of providing flood protection, these measures also limited the connectivity between the river and the land, restricted the area available for flooding, and hampered the natural flow dynamics of the river. Apart from the debilitating effect on riverine ecosystems due to loss of habitats, these measures also limited bank filtration, inhibited the infiltration of storm water, and affected groundwater-surface water-interactions. This in turn had a profound effect on ecosystem health, as a lack of groundwater-surface water interactions led to decreased cycling of pollutants and nutrients in the hyporheic zone and limited the moderation of the water temperature (EA, 2009). In recent decades, it has become apparent that further damages to riverine ecosystems must be prohibited, as the damages to ecology, economy and society surmount any benefits gained from exploiting them. Nowadays, the restoration of rivers is a globally accepted means to restore ecosystem functioning, protect water resources and amend flood protection (Andrea et al., 2012; Palmer et al., 2005; Wortley et al., 2013). In spite of huge efforts regarding the restoration of rivers over the last 30 years, the question of its effectiveness remains, as river restorations often reconstruct a naturally looking rather than a naturally functioning stream (EA, 2009). We therefore focussed our research on the effectiveness of river restorations, represented by the groundwater-surface water-interactions. Given a sufficiently high groundwater level, a lack of groundwater-surface water-interactions after restoration may indicate that the vertical connectivity in the stream was not fully restored. In order to investigate groundwater-surface water-interactions we determined the thermal signature on the stream bed and in +/- 40 cm depth by using Distributed Temperature

Plasma Surface interaction in Controlled fusion devices

International Nuclear Information System (INIS)

1990-05-01

The subjects presented in the 9th conference on plasma surface interaction in controlled fusion devices were: the modifications of power scrape-off-length and power deposition during various configurations in Tore Supra plasmas; the effects observed in ergodic divertor experiments in Tore-Supra; the diffuse connexion induced by the ergodic divertor and the topology of the heat load patterns on the plasma facing components in Tore-Supra; the study of the influence of air exposure on graphite implanted by low energy high density deuterium plasma

Molecular modeling studies of interactions between sodium polyacrylate polymer and calcite surface

Energy Technology Data Exchange (ETDEWEB)

Ylikantola, A. [University of Jyväskylä, Department of Chemistry, P.O. Box 35, University of Jyväskylä, FI-40014 (Finland); Linnanto, J., E-mail: juha.m.linnanto@gmail.com [University of Jyväskylä, Department of Chemistry, P.O. Box 35, University of Jyväskylä, FI-40014 (Finland); University of Tartu, Institute of Physics, Riia 142, EE-51014 Tartu (Estonia); Knuutinen, J.; Oravilahti, A. [University of Jyväskylä, Department of Chemistry, P.O. Box 35, University of Jyväskylä, FI-40014 (Finland); Toivakka, M. [Åbo Akademi University, Laboratory of Paper Coating and Converting and Center for Functional Materials, FI-20500 Turku/Åbo (Finland)

2013-07-01

The interactions between calcite pigment and sodium polyacrylate dispersing agent, widely used in papermaking as paper coating components, were investigated using classical force field and quantum chemical approaches. The objective was to understand interactions between the calcite surface and sodium polyacrylate polymer at 300 K using molecular dynamics simulations. A quantum mechanical ab initio Hartree–Fock method was also used to obtain detailed information about the sodium polyacrylate polymer structure. The effect of water molecules (moisture) on the interactions was also examined. Calculations showed that molecular weight, branching and the orientation of sodium polyacrylate polymers influence the interactions between the calcite surface and the polymer. The force field applied, and also water molecules, were found to have an impact on all systems studied. Ab initio Hartree–Fock calculations indicated that there are two types of coordination between sodium atoms and carboxylate groups of the sodium polyacrylate polymer, inter- and intra-carboxylate group coordination. In addition, ab initio Hartree–Fock calculations of the structure of the sodium polyacrylate polymer produced important information regarding interactions between the polymers and carboxylated styrene-butadiene latex particles.

Grid adaption using Chimera composite overlapping meshes

Science.gov (United States)

Kao, Kai-Hsiung; Liou, Meng-Sing; Chow, Chuen-Yen

1993-01-01

The objective of this paper is to perform grid adaptation using composite over-lapping meshes in regions of large gradient to capture the salient features accurately during computation. The Chimera grid scheme, a multiple overset mesh technique, is used in combination with a Navier-Stokes solver. The numerical solution is first converged to a steady state based on an initial coarse mesh. Solution-adaptive enhancement is then performed by using a secondary fine grid system which oversets on top of the base grid in the high-gradient region, but without requiring the mesh boundaries to join in any special way. Communications through boundary interfaces between those separated grids are carried out using tri-linear interpolation. Applications to the Euler equations for shock reflections and to a shock wave/boundary layer interaction problem are tested. With the present method, the salient features are well resolved.

Plasma-surface interactions

International Nuclear Information System (INIS)

Goeckner, M J; Nelson, C T; Sant, S P; Jindal, A K; Joseph, E A; Zhou, B S; Padron-Wells, G; Jarvis, B; Pierce, R; Overzet, L J

2008-01-01

Materials processing is at a crossroads. Currently a large fraction of industrially viable materials processing is via plasmas. Until recently it has been economical to just examine the influence the plasma properties on the desired surface processes and through this ultimately optimize manufacturing. For example, it is well known that the surface processes (etch or deposition), occur in the top few mono-layers of the surface. Thus, in film growth one requires that molecules from the gas-phase land and bond on the surface. However as processing has reached the nano-scale, development of viable processes has become more and more difficult. In part, this is because of all of the free parameters that exist in plasmas. To overcome this economic issue, tool vendors and semiconductor companies have turned to complex computational models of processing plasmas. For those models to work, one requires a through understanding of all of the gas-phase and surface-phase processes that are exhibited in plasmas. Unfortunately, these processes, particularly those at the surface, are not well understood. In this article we describe a viable model of the surface-phase based on cross sections for processes that occur. While originally developed of fluorocarbon systems, the model also appears to be applicable to hydrocarbon systems.

Plasma-surface interactions

Energy Technology Data Exchange (ETDEWEB)

Goeckner, M J; Nelson, C T; Sant, S P; Jindal, A K; Joseph, E A; Zhou, B S; Padron-Wells, G; Jarvis, B; Pierce, R; Overzet, L J [Department of Electrical Engineering, University of Texas at Dallas (United States)], E-mail: goeckner@utdallas.edu

2008-10-01

Materials processing is at a crossroads. Currently a large fraction of industrially viable materials processing is via plasmas. Until recently it has been economical to just examine the influence the plasma properties on the desired surface processes and through this ultimately optimize manufacturing. For example, it is well known that the surface processes (etch or deposition), occur in the top few mono-layers of the surface. Thus, in film growth one requires that molecules from the gas-phase land and bond on the surface. However as processing has reached the nano-scale, development of viable processes has become more and more difficult. In part, this is because of all of the free parameters that exist in plasmas. To overcome this economic issue, tool vendors and semiconductor companies have turned to complex computational models of processing plasmas. For those models to work, one requires a through understanding of all of the gas-phase and surface-phase processes that are exhibited in plasmas. Unfortunately, these processes, particularly those at the surface, are not well understood. In this article we describe a viable model of the surface-phase based on cross sections for processes that occur. While originally developed of fluorocarbon systems, the model also appears to be applicable to hydrocarbon systems.

Detecting highly overlapping community structure by greedy clique expansion

OpenAIRE

Lee, Conrad; Reid, Fergal; McDaid, Aaron; Hurley, Neil

2010-01-01

In complex networks it is common for each node to belong to several communities, implying a highly overlapping community structure. Recent advances in benchmarking indicate that existing community assignment algorithms that are capable of detecting overlapping communities perform well only when the extent of community overlap is kept to modest levels. To overcome this limitation, we introduce a new community assignment algorithm called Greedy Clique Expansion (GCE). The algorithm identifies d...

GEOMETRIC QUALITY ASSESSMENT OF LIDAR DATA BASED ON SWATH OVERLAP

Directory of Open Access Journals (Sweden)

A. Sampath

2016-06-01

Full Text Available This paper provides guidelines on quantifying the relative horizontal and vertical errors observed between conjugate features in the overlapping regions of lidar data. The quantification of these errors is important because their presence quantifies the geometric quality of the data. A data set can be said to have good geometric quality if measurements of identical features, regardless of their position or orientation, yield identical results. Good geometric quality indicates that the data are produced using sensor models that are working as they are mathematically designed, and data acquisition processes are not introducing any unforeseen distortion in the data. High geometric quality also leads to high geolocation accuracy of the data when the data acquisition process includes coupling the sensor with geopositioning systems. Current specifications (e.g. Heidemann 2014 do not provide adequate means to quantitatively measure these errors, even though they are required to be reported. Current accuracy measurement and reporting practices followed in the industry and as recommended by data specification documents also potentially underestimate the inter-swath errors, including the presence of systematic errors in lidar data. Hence they pose a risk to the user in terms of data acceptance (i.e. a higher potential for Type II error indicating risk of accepting potentially unsuitable data. For example, if the overlap area is too small or if the sampled locations are close to the center of overlap, or if the errors are sampled in flat regions when there are residual pitch errors in the data, the resultant Root Mean Square Differences (RMSD can still be small. To avoid this, the following are suggested to be used as criteria for defining the inter-swath quality of data: a Median Discrepancy Angle b Mean and RMSD of Horizontal Errors using DQM measured on sloping surfaces c RMSD for sampled locations from flat areas (defined as areas with less than 5

Generation of non-overlapping fiber architecture

DEFF Research Database (Denmark)

Chapelle, Lucie; Lévesque, M.; Brøndsted, Povl

2015-01-01

and polymer networks. The model takes into account the complex geometry of the fiber arrangement in which a fiber can be modeled with a certain degree of bending while keeping a main fiber orientation. The model is built in two steps. First, fibers are generated as a chain of overlapping spheres or as a chain......: a repulsion force to suppress the overlap between two fibers and a bending and stretching force to ensure that the fiber structure is kept unchanged. The model can be used as the geometrical basis for further finite-element modelling....

Understanding small biomolecule-biomaterial interactions: a review of fundamental theoretical and experimental approaches for biomolecule interactions with inorganic surfaces.

Science.gov (United States)

Costa, Dominique; Garrain, Pierre-Alain; Baaden, Marc

2013-04-01

Interactions between biomolecules and inorganic surfaces play an important role in natural environments and in industry, including a wide variety of conditions: marine environment, ship hulls (fouling), water treatment, heat exchange, membrane separation, soils, mineral particles at the earth's surface, hospitals (hygiene), art and buildings (degradation and biocorrosion), paper industry (fouling) and more. To better control the first steps leading to adsorption of a biomolecule on an inorganic surface, it is mandatory to understand the adsorption mechanisms of biomolecules of several sizes at the atomic scale, that is, the nature of the chemical interaction between the biomolecule and the surface and the resulting biomolecule conformations once adsorbed at the surface. This remains a challenging and unsolved problem. Here, we review the state of art in experimental and theoretical approaches. We focus on metallic biomaterial surfaces such as TiO(2) and stainless steel, mentioning some remarkable results on hydroxyapatite. Experimental techniques include atomic force microscopy, surface plasmon resonance, quartz crystal microbalance, X-ray photoelectron spectroscopy, fluorescence microscopy, polarization modulation infrared reflection absorption spectroscopy, sum frequency generation and time of flight secondary ion mass spectroscopy. Theoretical models range from detailed quantum mechanical representations to classical forcefield-based approaches. Copyright © 2012 Wiley Periodicals, Inc.

[Asthma-COPD overlap syndrome].

Science.gov (United States)

Odler, Balázs; Müller, Veronika

2016-08-01

Obstructive lung diseases represent a major health problem worldwide due to their high prevalence associated with elevated socioeconomic costs. Bronchial asthma and chronic obstructive pulmonary disease are chronic obstructive ventilatory disorders with airway inflammation, however they are separate nosological entities based on thedifferent development, diagnostic and therapeutic approaches, and prognostic features. However, these diseases may coexist and can be defined as the coexistence of increased variability of airflow in a patient with incompletely reversible airway obstruction. This phenotype is called asthma - chronic obstructive pulmonary disease overlap syndrome. The syndrome is a clinical and scientific challenge as the majority of these patients have been excluded from the clinical and pharmacological trials, thus well-defined clinical characteristics and therapeutic approaches are lacking. The aim of this review is to summarize the currently available literature focusing on pathophysiological and clinical features, and discuss possible therapeutic approaches of patients with asthma - chronic obstructive pulmonary disease overlap syndrome. Orv. Hetil., 2016, 157(33), 1304-1313.

Accessing the mental space - Spatial working memory processes for language and vision overlap in precuneus

DEFF Research Database (Denmark)

Wallentin, Mikkel; Weed, Ethan; Østergaard, Leif

2008-01-01

, strikingly overlapping a network previously shown to be involved in recall of spatial aspects of images depicting similar scenarios. This supports a neurocognitive model of language function, where sentences establish meaning by interacting with the perceptual and working memory networks of the brain.......Abstract: The ‘‘overlapping systems'' theory of language function argues that linguistic meaning construction crucially relies on contextual information provided by ‘‘nonlinguistic'' cognitive systems, such as perception and memory. This study examines whether linguistic processing of spatial.......g., ‘‘Was he turned towards her?'') and equally concrete nonspatial content (e.g., ‘‘Was he older than her?''). We found that recall of the spatial content relative to the nonspatial content resulted in higher BOLD response in a dorsoposterior network of brain regions, most significantly in precuneus...

Transport through overlapping states in quantum dots and double dot molecules

International Nuclear Information System (INIS)

Berkovits, R.

2006-01-01

Full Text: We shall review the transport properties of interacting quantum dots with overlapping orbitals for which the orthodox Coulomb blockade picture no longer holds. We shall concentrate on he conductance through a serial double dot structure for which the inter-dot tunneling is stronger than the tunneling to the leads. When the dots are occupied by 1 or 3 electrons the usual Kondo peak is observed. For the case in which 2 electrons occupy the molecule a singlet is formed. Nevertheless, the conductance in that case has a constant non-zero value, and might even be equal to the maximum conductance of 2e 2 /h for certain values of the molecule parameters. We show that this is the result of the subtle interplay between the symmetric and anti-symmetric orbitals of the molecule caused by interactions and interference

The interaction of deuterium with AgPd/Pd(111) surface alloys

Energy Technology Data Exchange (ETDEWEB)

Diemant, Thomas; Martin, Jan; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University (Germany)

2016-07-01

AgPd/Pd(111) surface alloys, which consist of a reactive and an inert metal, represent an ideal test case for the study of ensemble effects on bimetallic surfaces. In the present contribution, we have studied their deuterium adsorption properties by temperature-programmed desorption (TPD) measurements. The structural properties (surface contents and atom distribution) were determined already earlier by high-resolution scanning tunnelling microscopy (STM), which enables us to correlate the structural properties of these surface alloys to their adsorption behaviour. Most prominently, a steady decrease of the adsorbate coverage with increasing Ag content is observed. The results will be compared to findings on the interaction of CO with these surface alloys.

Time-Domain Modeling of RF Antennas and Plasma-Surface Interactions

Directory of Open Access Journals (Sweden)

Jenkins Thomas G.

2017-01-01

Full Text Available Recent advances in finite-difference time-domain (FDTD modeling techniques allow plasma-surface interactions such as sheath formation and sputtering to be modeled concurrently with the physics of antenna near- and far-field behavior and ICRF power flow. Although typical sheath length scales (micrometers are much smaller than the wavelengths of fast (tens of cm and slow (millimeter waves excited by the antenna, sheath behavior near plasma-facing antenna components can be represented by a sub-grid kinetic sheath boundary condition, from which RF-rectified sheath potential variation over the surface is computed as a function of current flow and local plasma parameters near the wall. These local time-varying sheath potentials can then be used, in tandem with particle-in-cell (PIC models of the edge plasma, to study sputtering effects. Particle strike energies at the wall can be computed more accurately, consistent with their passage through the known potential of the sheath, such that correspondingly increased accuracy of sputtering yields and heat/particle fluxes to antenna surfaces is obtained. The new simulation capabilities enable time-domain modeling of plasma-surface interactions and ICRF physics in realistic experimental configurations at unprecedented spatial resolution. We will present results/animations from high-performance (10k-100k core FDTD/PIC simulations of Alcator C-Mod antenna operation.

Spectroscopic characterization of Greek dolomitic marble surface interacted with uranium and thorium in aqueous solutions

International Nuclear Information System (INIS)

Godelitsas, A.; Kokkoris, M.; Chatzitheodoridis, E.; Misaelides, P.

2008-01-01

The surface of a typical Greek (Thassian) dolomitic marble was studied after interaction with U- and Th-containing aqueous solutions (1000 mg/L, free-drift experiments for 1 week at atmospheric P CO 2 ), using 12 C-RBS and Laser μ-Raman spectroscopy. Powder-XRD and SEM-EDS were also applied to investigate the phases deposited on the surface of the interacted samples. The obtained results indicated a considerable removal of U from the aqueous medium mainly due to massive surface precipitation of amorphous UO 2 -hydroxide phases forming a relatively thick (μm-sized) coating on the carbonate substrate. The interaction of Th with dolomitic marble surface is also intense leading to a formation of an amorphous Th-hydroxide layer of similar thickness but of significantly lower elemental atomic proportion

Spectroscopic characterization of Greek dolomitic marble surface interacted with uranium and thorium in aqueous solutions

Energy Technology Data Exchange (ETDEWEB)

Godelitsas, A. [Faculty of Geology and Geoenvironment, University of Athens, 15784 Zographou, Athens (Greece)], E-mail: agodel@geol.uoa.gr; Kokkoris, M. [School of Applied Mathematics and Physics, National Technical University of Athens, 15780 Zographou, Athens (Greece); Chatzitheodoridis, E. [School of Mining and Metallurgical Engineering, National Technical University of Athens, 15780 Zographou, Athens (Greece); Misaelides, P. [Faculty of Chemistry, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece)

2008-05-15

The surface of a typical Greek (Thassian) dolomitic marble was studied after interaction with U- and Th-containing aqueous solutions (1000 mg/L, free-drift experiments for 1 week at atmospheric P{sub CO{sub 2}}), using {sup 12}C-RBS and Laser {mu}-Raman spectroscopy. Powder-XRD and SEM-EDS were also applied to investigate the phases deposited on the surface of the interacted samples. The obtained results indicated a considerable removal of U from the aqueous medium mainly due to massive surface precipitation of amorphous UO{sub 2}-hydroxide phases forming a relatively thick ({mu}m-sized) coating on the carbonate substrate. The interaction of Th with dolomitic marble surface is also intense leading to a formation of an amorphous Th-hydroxide layer of similar thickness but of significantly lower elemental atomic proportion.

Spectroscopic characterization of Greek dolomitic marble surface interacted with uranium and thorium in aqueous solutions

Science.gov (United States)

Godelitsas, A.; Kokkoris, M.; Chatzitheodoridis, E.; Misaelides, P.

2008-05-01

The surface of a typical Greek (Thassian) dolomitic marble was studied after interaction with U- and Th-containing aqueous solutions (1000 mg/L, free-drift experiments for 1 week at atmospheric PCO2), using 12C-RBS and Laser μ-Raman spectroscopy. Powder-XRD and SEM-EDS were also applied to investigate the phases deposited on the surface of the interacted samples. The obtained results indicated a considerable removal of U from the aqueous medium mainly due to massive surface precipitation of amorphous UO2-hydroxide phases forming a relatively thick (μm-sized) coating on the carbonate substrate. The interaction of Th with dolomitic marble surface is also intense leading to a formation of an amorphous Th-hydroxide layer of similar thickness but of significantly lower elemental atomic proportion.

Achieving atomistic control in materials processing by plasma–surface interactions

International Nuclear Information System (INIS)

Chang, Jeffrey; Chang, Jane P

2017-01-01

The continuous down-scaling of electronic devices and the introduction of functionally improved novel materials require a greater atomic level controllability in the synthesis and patterning of thin film materials, especially with regards to deposition uniformity and conformality as well as etching selectivity and anisotropy. The richness of plasma chemistry and the corresponding plasma–surface interactions provide the much needed processing flexibility and efficacy. To achieve the integration of the novel materials into devices, plasma-enhanced atomic layer processing techniques are emerging as the enabling factors to obtain atomic scale control of complex materials and nanostructures. This review focuses on an overview of the role of respective plasma species involved in plasma–surface interactions, addressing their respective and synergistic effects, which is followed by two distinct applications: plasma-enhanced atomic layer deposition (ALD) and atomic layer etching (ALE). For plasma-enhanced ALD, this review emphasizes the use of plasma chemistry to enable alternative pathways to synthesize complex materials at low temperatures and the challenges associated with deposition conformality. For plasma enabled ALE processes, the review focuses on the surface-specific chemical reactions needed to achieve desirable selectivity and anisotropy. (topical review)

Effects of black carbon and boundary layer interaction on surface ozone in Nanjing, China

Directory of Open Access Journals (Sweden)

J. Gao

2018-05-01

Full Text Available As an important solar radiation absorbing aerosol, the effect of black carbon (BC on surface ozone, via reducing photolysis rate, has been widely discussed by offline model studies. However, BC–boundary layer (BL interactions also influence surface ozone. Using the online model simulations and process analysis, we demonstrate the significant impact of BC–BL interaction on surface ozone in Nanjing. The absorbing effect of BC heats the air above the BL and suppresses and delays the development of the BL, which eventually leads to a change in surface ozone via a change in the contributions from chemical and physical processes (photochemistry, vertical mixing and advection. For chemical processes, the suppression of the BL leads to large amounts of ozone precursors being confined below the BL which has an increased effect on ozone chemical production and offsets the decrease caused by the reduction of the photolysis rate, thus enhancing ozone chemical formation from 10:00 to 12:00 LT. Furthermore, changes in physical processes, especially the vertical mixing process, show a more significant influence on surface ozone. The weakened turbulence, caused by the suppressed BL, entrains much less ozone aloft down to the surface. Finally, summing-up the changes in the processes, surface ozone reduces before noon and the maximum reduction reaches 16.4 ppb at 12:00 LT. In the afternoon, the changes in chemical process are small which inconspicuously influence surface ozone. However, change in the vertical mixing process still influences surface ozone significantly. Due to the delayed development of the BL, there are obvious ozone gradients around the top of BL. Therefore, high concentrations of ozone aloft can still be entrained down to the surface which offsets the reduction of surface ozone. Comparing the changes in the processes, the change in vertical mixing plays the most important role in impacting surface ozone. Our results highlight the

Effects of black carbon and boundary layer interaction on surface ozone in Nanjing, China

Science.gov (United States)

Gao, Jinhui; Zhu, Bin; Xiao, Hui; Kang, Hanqing; Pan, Chen; Wang, Dongdong; Wang, Honglei

2018-05-01

As an important solar radiation absorbing aerosol, the effect of black carbon (BC) on surface ozone, via reducing photolysis rate, has been widely discussed by offline model studies. However, BC-boundary layer (BL) interactions also influence surface ozone. Using the online model simulations and process analysis, we demonstrate the significant impact of BC-BL interaction on surface ozone in Nanjing. The absorbing effect of BC heats the air above the BL and suppresses and delays the development of the BL, which eventually leads to a change in surface ozone via a change in the contributions from chemical and physical processes (photochemistry, vertical mixing and advection). For chemical processes, the suppression of the BL leads to large amounts of ozone precursors being confined below the BL which has an increased effect on ozone chemical production and offsets the decrease caused by the reduction of the photolysis rate, thus enhancing ozone chemical formation from 10:00 to 12:00 LT. Furthermore, changes in physical processes, especially the vertical mixing process, show a more significant influence on surface ozone. The weakened turbulence, caused by the suppressed BL, entrains much less ozone aloft down to the surface. Finally, summing-up the changes in the processes, surface ozone reduces before noon and the maximum reduction reaches 16.4 ppb at 12:00 LT. In the afternoon, the changes in chemical process are small which inconspicuously influence surface ozone. However, change in the vertical mixing process still influences surface ozone significantly. Due to the delayed development of the BL, there are obvious ozone gradients around the top of BL. Therefore, high concentrations of ozone aloft can still be entrained down to the surface which offsets the reduction of surface ozone. Comparing the changes in the processes, the change in vertical mixing plays the most important role in impacting surface ozone. Our results highlight the great impacts BC

Substitution models for overlapping technologies - an application to fast reactor deployment

International Nuclear Information System (INIS)

Lehtinen, R.; Silvennoinen, P.; Vira, J.

1982-01-01

In this paper market penetration models are discussed in the context of interacting technologies. An increased confidence credit is proposed for a technology that can draw on other overlapping technologies. The model is also reduced to a numerically tractable form. As an application, scenarios of fast reactor deployment are derived under different assumptions on the uranium and fast reactor investment costs and by varying model parameters for the penetration of fusion and solar technologies. The market share of fast reactors in electricity generation is expected to lie between zero and 40 per cent in 2050 depending on the market parameters. (orig.) [de

Evaluation of crack interaction effect for in-plane surface cracks using elastic finite element analyses

International Nuclear Information System (INIS)

Huh, Nam Su; Choi, Suhn; Park, Keun Bae; Kim, Jong Min; Choi, Jae Boong; Kim, Young Jin

2008-01-01

The crack-tip stress fields and fracture mechanics assessment parameters, such as the elastic stress intensity factor and the elastic-plastic J-integral, for a surface crack can be significantly affected by adjacent cracks. Such a crack interaction effect due to multiple cracks can magnify the fracture mechanics assessment parameters. There are many factors to be considered, for instance the relative distance between adjacent cracks, crack shape and loading condition, to quantify a crack interaction effect on the fracture mechanics assessment parameters. Thus, the current guidance on a crack interaction effect (crack combination rule), including ASME Sec. XI, BS7910, British Energy R6 and API RP579, provide different rules for combining multiple surface cracks into a single surface crack. The present paper investigates a crack interaction effect by evaluating the elastic stress intensity factor of adjacent surface cracks in a plate along the crack front through detailed 3-dimensional elastic finite element analyses. The effects of the geometric parameters, the relative distance between cracks and the crack shape, on the stress intensity factor are systematically investigated. As for the loading condition, only axial tension is considered. Based on the elastic finite element results, the acceptability of the crack combination rules provided in the existing guidance was investigated, and the relevant recommendations on a crack interaction for in-plane surface cracks in a plate were discussed

Experimental apparatus for overlapping a ground-state cooled ion with ultracold atoms

Science.gov (United States)

Meir, Ziv; Sikorsky, Tomas; Ben-shlomi, Ruti; Akerman, Nitzan; Pinkas, Meirav; Dallal, Yehonatan; Ozeri, Roee

2018-03-01

Experimental realizations of charged ions and neutral atoms in overlapping traps are gaining increasing interest due to their wide research application ranging from chemistry at the quantum level to quantum simulations of solid state systems. In this paper, we describe our experimental system in which we overlap a single ground-state cooled ion trapped in a linear Paul trap with a cloud of ultracold atoms such that both constituents are in the ?K regime. Excess micromotion (EMM) currently limits atom-ion interaction energy to the mK energy scale and above. We demonstrate spectroscopy methods and compensation techniques which characterize and reduce the ion's parasitic EMM energy to the ?K regime even for ion crystals of several ions. We further give a substantial review on the non-equilibrium dynamics which governs atom-ion systems. The non-equilibrium dynamics is manifested by a power law distribution of the ion's energy. We also give an overview on the coherent and non-coherent thermometry tools which can be used to characterize the ion's energy distribution after single to many atom-ion collisions.

Observation of Atom Wave Phase Shifts Induced by Van Der Waals Atom-Surface Interactions

International Nuclear Information System (INIS)

Perreault, John D.; Cronin, Alexander D.

2005-01-01

The development of nanotechnology and atom optics relies on understanding how atoms behave and interact with their environment. Isolated atoms can exhibit wavelike (coherent) behavior with a corresponding de Broglie wavelength and phase which can be affected by nearby surfaces. Here an atom interferometer is used to measure the phase shift of Na atom waves induced by the walls of a 50 nm wide cavity. To our knowledge this is the first direct measurement of the de Broglie wave phase shift caused by atom-surface interactions. The magnitude of the phase shift is in agreement with that predicted by Lifshitz theory for a nonretarded van der Waals interaction. This experiment also demonstrates that atom waves can retain their coherence even when atom-surface distances are as small as 10 nm

Isolate extended state in the DNA molecular transistor with surface interaction

Energy Technology Data Exchange (ETDEWEB)

Wang, Le, E-mail: wang_le917@gs.zzu.edu.cn; Qin, Zhi-Jie

2016-02-01

The field effect characteristic of a DNA molecular device is investigated in a tight binding model with binary disorder and side site correlation. Using the transfer-matrix method and Landauer–Büttiker theory, we find that the system has isolated extended state that is irrespective of the DNA sequence and can be modulated by the gate voltage. When the gate voltage reaches some proper value, the isolated extended state appears at the Fermi level of the system and the long range charge transport is greatly enhanced. We attribute this phenomenon to the combination of the external field, the surface interaction, and the intrinsic disorder of DNA. The result is a generic feature of the nanowire with binary disorder and surface interaction.

Impact of surface coating and food-mimicking media on nanosilver-protein interaction

Energy Technology Data Exchange (ETDEWEB)

Burcza, Anna, E-mail: anna.burcza@mri.bund.de; Gräf, Volker; Walz, Elke; Greiner, Ralf [Max Rubner-Institute, Department of Food Technology and Bioprocess Engineering (Germany)

2015-11-15

The application of silver nanoparticles (AgNPs) in food contact materials has recently become a subject of dispute due to the possible migration of silver in nanoform into foods and beverages. Therefore, the analysis of the interaction of AgNPs with food components, especially proteins, is of high importance in order to increase our knowledge of the behavior of nanoparticles in food matrices. AgPURE™ W10 (20 nm), an industrially applied nanomaterial, was compared with AgNPs of similar size frequently investigated for scientific purposes differing in the surface capping agent (spherical AgNP coated with either PVP or citrate). The interactions of the AgNPs with whey proteins (BSA, α-lactalbumin and β-lactoglobulin) at different pH values (4.2, 7 or 7.4) were investigated using surface plasmon resonance, SDS-PAGE, and asymmetric flow field-flow fractionation. The data obtained by the three different methods correlated well. Besides the nature of the protein and the nanoparticle coating, the environment was shown to affect the interaction significantly. The strongest interaction was obtained with BSA and AgNPs in an acidic environment. Neutral and slightly alkaline conditions however, seemed to prevent the AgNP-protein interaction almost completely. Furthermore, the interaction of whey proteins with AgPURE™ W10 was found to be weaker compared to the interaction with the other two AgNPs under all conditions investigated.

Impact of surface coating and food-mimicking media on nanosilver-protein interaction

International Nuclear Information System (INIS)

Burcza, Anna; Gräf, Volker; Walz, Elke; Greiner, Ralf

2015-01-01

The application of silver nanoparticles (AgNPs) in food contact materials has recently become a subject of dispute due to the possible migration of silver in nanoform into foods and beverages. Therefore, the analysis of the interaction of AgNPs with food components, especially proteins, is of high importance in order to increase our knowledge of the behavior of nanoparticles in food matrices. AgPURE™ W10 (20 nm), an industrially applied nanomaterial, was compared with AgNPs of similar size frequently investigated for scientific purposes differing in the surface capping agent (spherical AgNP coated with either PVP or citrate). The interactions of the AgNPs with whey proteins (BSA, α-lactalbumin and β-lactoglobulin) at different pH values (4.2, 7 or 7.4) were investigated using surface plasmon resonance, SDS-PAGE, and asymmetric flow field-flow fractionation. The data obtained by the three different methods correlated well. Besides the nature of the protein and the nanoparticle coating, the environment was shown to affect the interaction significantly. The strongest interaction was obtained with BSA and AgNPs in an acidic environment. Neutral and slightly alkaline conditions however, seemed to prevent the AgNP-protein interaction almost completely. Furthermore, the interaction of whey proteins with AgPURE™ W10 was found to be weaker compared to the interaction with the other two AgNPs under all conditions investigated

Near-field Light Scattering Techniques for Measuring Nanoparticle-Surface Interaction Energies and Forces.

Science.gov (United States)

Schein, Perry; Ashcroft, Colby K; O'Dell, Dakota; Adam, Ian S; DiPaolo, Brian; Sabharwal, Manit; Shi, Ce; Hart, Robert; Earhart, Christopher; Erickson, David

2015-08-15

Nanoparticles are quickly becoming commonplace in many commercial and industrial products, ranging from cosmetics to pharmaceuticals to medical diagnostics. Predicting the stability of the engineered nanoparticles within these products a priori remains an important and difficult challenge. Here we describe our techniques for measuring the mechanical interactions between nanoparticles and surfaces using near-field light scattering. Particle-surface interfacial forces are measured by optically "pushing" a particle against a reference surface and observing its motion using scattered near-field light. Unlike atomic force microscopy, this technique is not limited by thermal noise, but instead takes advantage of it. The integrated waveguide and microfluidic architecture allow for high-throughput measurements of about 1000 particles per hour. We characterize the reproducibility of and experimental uncertainty in the measurements made using the NanoTweezer surface instrument. We report surface interaction studies on gold nanoparticles with 50 nm diameters, smaller than previously reported in the literature using similar techniques.

The theory of the interaction of atmospheric aerosol with underlying surface

International Nuclear Information System (INIS)

Buikov, M.V.

1993-01-01

The interaction of wind with underlying surfaces through resuspension makes a great contribution to the total amount of atmospheric aerosols. The dry deposition process results in cleaning of the atmosphere and contamination of near-surface air layers of soil and vegetation. This paper examines the theory leading to an exact solution of the problem of turbulent transportation of pollution taking into account resuspension and dry-deposition. This may be useful for the interpretation of observational data and for the improvement of calculation methods to describe aerosol exchange at surfaces in air. (author)

Effective interactions between inclusions in an active bath

Science.gov (United States)

Zaeifi Yamchi, Mahdi; Naji, Ali

2017-11-01

We study effective two- and three-body interactions between non-active colloidal inclusions in an active bath of chiral or non-chiral particles, using Brownian dynamics simulations within a standard, two-dimensional model of disk-shaped inclusions and active particles. In a non-chiral active bath, we first corroborate previous findings on effective two-body repulsion mediated between the inclusions by elucidating the detailed non-monotonic features of the two-body force profiles, including a primary maximum and a secondary hump at larger separations that was not previously reported. We then show that these features arise directly from the formation, and sequential overlaps, of circular layers (or "rings") of active particles around the inclusions, as the latter are brought to small surface separations. These rings extend to radial distances of a few active-particle radii from the surface of inclusions, giving the hard-core inclusions relatively thick, soft, repulsive "shoulders," whose multiple overlaps then enable significant (non-pairwise) three-body forces in both non-chiral and chiral active baths. The resulting three-body forces can even exceed the two-body forces in magnitude and display distinct repulsive and attractive regimes at intermediate to large self-propulsion strengths. In a chiral active bath, we show that, while active particles still tend to accumulate at the immediate vicinity of the inclusions, they exhibit strong depletion from the intervening region between the inclusions and partial depletion from relatively thick, circular zones further away from the inclusions. In this case, the effective, predominantly repulsive interactions between the inclusions turn to active, chirality-induced, depletion-type attractions, acting over an extended range of separations.

Constraining the surface properties of effective Skyrme interactions

Science.gov (United States)

Jodon, R.; Bender, M.; Bennaceur, K.; Meyer, J.

2016-08-01

Background: Deformation energy surfaces map how the total binding energy of a nuclear system depends on the geometrical properties of intrinsic configurations, thereby providing a powerful tool to interpret nuclear spectroscopy and large-amplitude collective-motion phenomena such as fission. The global behavior of the deformation energy is known to be directly connected to the surface properties of the effective interaction used for its calculation. Purpose: The precise control of surface properties during the parameter adjustment of an effective interaction is key to obtain a reliable and predictive description of nuclear properties. The most relevant indicator is the surface-energy coefficient asurf. There are several possibilities for its definition and estimation, which are not fully equivalent and require a computational effort that can differ by orders of magnitude. The purpose of this study is threefold: first, to identify a scheme for the determination of asurf that offers the best compromise between robustness, precision, and numerical efficiency; second, to analyze the correlation between values for asurf and the characteristic energies of the fission barrier of 240Pu; and third, to lay out an efficient and robust procedure for how the deformation properties of the Skyrme energy density functional (EDF) can be constrained during the parameter fit. Methods: There are several frequently used possibilities to define and calculate the surface energy coefficient asurf of effective interactions built for the purpose of self-consistent mean-field calculations. The most direct access is provided by the model system of semi-infinite nuclear matter, but asurf can also be extracted from the systematics of binding energies of finite nuclei. Calculations can be carried out either self-consistently [Hartree-Fock (HF)], which incorporates quantal shell effects, or in one of the semiclassical extended Thomas-Fermi (ETF) or modified Thomas-Fermi (MTF) approximations. The

Random Process Theory Approach to Geometric Heterogeneous Surfaces: Effective Fluid-Solid Interaction

Science.gov (United States)

Khlyupin, Aleksey; Aslyamov, Timur

2017-06-01

Realistic fluid-solid interaction potentials are essential in description of confined fluids especially in the case of geometric heterogeneous surfaces. Correlated random field is considered as a model of random surface with high geometric roughness. We provide the general theory of effective coarse-grained fluid-solid potential by proper averaging of the free energy of fluid molecules which interact with the solid media. This procedure is largely based on the theory of random processes. We apply first passage time probability problem and assume the local Markov properties of random surfaces. General expression of effective fluid-solid potential is obtained. In the case of small surface irregularities analytical approximation for effective potential is proposed. Both amorphous materials with large surface roughness and crystalline solids with several types of fcc lattices are considered. It is shown that the wider the lattice spacing in terms of molecular diameter of the fluid, the more obtained potentials differ from classical ones. A comparison with published Monte-Carlo simulations was discussed. The work provides a promising approach to explore how the random geometric heterogeneity affects on thermodynamic properties of the fluids.

Communications overlapping in fast multipole particle dynamics methods

International Nuclear Information System (INIS)

Kurzak, Jakub; Pettitt, B. Montgomery

2005-01-01

In molecular dynamics the fast multipole method (FMM) is an attractive alternative to Ewald summation for calculating electrostatic interactions due to the operation counts. However when applied to small particle systems and taken to many processors it has a high demand for interprocessor communication. In a distributed memory environment this demand severely limits applicability of the FMM to systems with O(10 K atoms). We present an algorithm that allows for fine grained overlap of communication and computation, while not sacrificing synchronization and determinism in the equations of motion. The method avoids contention in the communication subsystem making it feasible to use the FMM for smaller systems on larger numbers of processors. Our algorithm also facilitates application of multiple time stepping techniques within the FMM. We present scaling at a reasonably high level of accuracy compared with optimized Ewald methods

Separation of the overlapping effects in spectra for WDXRF using the Rietveld method

International Nuclear Information System (INIS)

Salvador, Vera Lucia Ribeiro

2005-01-01

This work presents a new methodology for the overlapping spectra separation obtained by the technique of wavelength dispersion X-ray fluorescence (WDXRF). This methodology allows to improve the conventional analytic results and to facilitate the determination of chemical species of a same element without chemical separation, by means of the separation of coming spectra of electronic transitions of valence electrons or chemical effects in internal electrons. With the software 'GSAS-EXPGUI' and the method of Rietveld overcomes the problem of overlapping lines of the present species in the sample and it facilitates the determination of the same ones simultaneously, without the need of samples patterns and calibration curves, what means an expressive gain in relation to other techniques. The preparation of the surface of the sample for the collection of the spectrum represents a critical stage for the acting of the analysis whose effects can be minimized being used the refinement of Rietveld, that allows the determination of the relationships of the intensities of the lines put upon by means of mathematical models, what establishes the basic conditions for obtaining of more precise results in the quantitative analysis. In the case of the determination of chemical species it can separate, for example Cr (III), Cr (VI) and Fe (II), Fe(III) that present overlapping of almost 100%. (author)

Registration of partially overlapping surfaces for range image based augmented reality on mobile devices

Science.gov (United States)

Kilgus, T.; Franz, A. M.; Seitel, A.; Marz, K.; Bartha, L.; Fangerau, M.; Mersmann, S.; Groch, A.; Meinzer, H.-P.; Maier-Hein, L.

2012-02-01

Visualization of anatomical data for disease diagnosis, surgical planning, or orientation during interventional therapy is an integral part of modern health care. However, as anatomical information is typically shown on monitors provided by a radiological work station, the physician has to mentally transfer internal structures shown on the screen to the patient. To address this issue, we recently presented a new approach to on-patient visualization of 3D medical images, which combines the concept of augmented reality (AR) with an intuitive interaction scheme. Our method requires mounting a range imaging device, such as a Time-of-Flight (ToF) camera, to a portable display (e.g. a tablet PC). During the visualization process, the pose of the camera and thus the viewing direction of the user is continuously determined with a surface matching algorithm. By moving the device along the body of the patient, the physician is given the impression of looking directly into the human body. In this paper, we present and evaluate a new method for camera pose estimation based on an anisotropic trimmed variant of the well-known iterative closest point (ICP) algorithm. According to in-silico and in-vivo experiments performed with computed tomography (CT) and ToF data of human faces, knees and abdomens, our new method is better suited for surface registration with ToF data than the established trimmed variant of the ICP, reducing the target registration error (TRE) by more than 60%. The TRE obtained (approx. 4-5 mm) is promising for AR visualization, but clinical applications require maximization of robustness and run-time.

A new facility for studying plasma interacting with flowing liquid lithium surface

International Nuclear Information System (INIS)

Cao, X.; Ou, W.; Tian, S.; Wang, C.; Zhu, Z.; Wang, J.; Gou, F.; Yang, D.; Chen, S.

2014-01-01

A new facility to study plasmas interacting with flowing liquid lithium surface was designed and is constructing in Sichuan University. The integrated setup includes the liquid lithium circulating part and linear high density plasma generator. The circulating part is consisted of main loop, on-line monitor system, lithium purification system and temperature programmed desorption system. In our group a linear high density plasma generator was built in 2012. Three coils were mounted along the vessel to produce an axial magnetic field inside. The magnetic field strength is up to 0.45 T and work continuously. Experiments on plasmas interacting with free flowing liquid lithium surface will be performed

Overlap syndrome of COPD and OSA in Koreans.

Science.gov (United States)

Choi, Kyung-Mee; Thomas, Robert J; Kim, Jinkwan; Lee, Seung Ku; Yoon, Dae Wui; Shin, Chol

2017-07-01

Overlap syndrome of chronic obstructive pulmonary disease (COPD) and obstructive sleep apnea (OSA) leads to increased morbidity and mortality. There have been no reports available on the overlap syndrome for Koreans. Our primary aim was to identify prevalence and predictors of the overlap syndrome in Koreans.This is a cross-sectional study with a community-based sample of 1298 participants (mean age, 59.7 ± 6.7) from the cohort of Korean Genomic and Epidemiologic Study during 2013 to 2014. OSA and COPD were assessed by apnea-hypopnea index (AHI) and the ratio of forced expiratory volume in 1 s to forced vital capacity (FEV1/FVC syndrome. The prevalence of COPD remained the same as 10.8% regardless of the presence of OSA. The mean ratio of FEV1/FVC for those with COPD was 0.77, regardless of OSA. The OR increased for age (OR, 1.1; 95% CI, 1.0-1.1) and smokers (OR, 3.6; 95% CI, 2.0-6.4), but decreased for body mass index (BMI) (OR, 0.84; 95% CI, 0.8-0.9) and overweight state (OR, 0.4; 95% CI, 0.2-0.7). Risk factors of the overlap syndrome differed by OSA severity, that is, BMI in those with moderate-to-severe OSA, whereas sex (OR, 4.7; 95% CI, 2.1-10.6) and age (OR, 1.1; 95% CI, 1.0-1.1) in those with mild OSA.In a population study from Korea, 10.8% of OSA patients had an overlap syndrome with COPD. Although BMI is a well-known risk factor of OSA, it is likely that being overweight may be protective for moderate-to-severe OSA patients from the risk of COPD (i.e., overlap syndrome).

Plasma-surface interaction in negative hydrogen ion sources

Science.gov (United States)

Wada, Motoi

2018-05-01

A negative hydrogen ion source delivers more beam current when Cs is introduced to the discharge, but a continuous operation of the source reduces the beam current until more Cs is added to the source. This behavior can be explained by adsorption and ion induced desorption of Cs atoms on the plasma grid surface of the ion source. The interaction between the ion source plasma and the plasma grid surface of a negative hydrogen ion source is discussed in correlation to the Cs consumption of the ion source. The results show that operation with deuterium instead of hydrogen should require more Cs consumption and the presence of medium mass impurities as well as ions of the source wall materials in the arc discharge enlarges the Cs removal rate during an ion source discharge.

Perceived Non-Overlap of Objects in an Audiovisual Stream/Bounce Display

Directory of Open Access Journals (Sweden)

Yousuke Kawachi

2011-10-01

Full Text Available In a stream/bounce display in which two identical visual objects move toward each other, coincide (completely overlap, and then move apart, the objects can be perceived as either streaming through or bouncing off each other. Despite the perceptual ambiguity in this display, the streaming percept is dominant. However, a sound burst presented at the time that the objects coincide facilitates the bouncing percept. Herein, we report a perceptual phenomenon in which the overlap between objects is illusorily perceived as a non-overlap in the stream/bounce display accompanied with sound. In the experiment, the amount of overlap between two objects was systematically manipulated in the presence/absence of a sound. Observers were asked to judge whether the two objects overlapped with each other and then asked whether the objects appeared to stream through or bounce off each other. The results were consistent with those of previous studies showing that sound promoted the bouncing percept. Most importantly, the sound presentation facilitated the perception of a non-overlap between the objects instead of a physical overlap, suggesting that the momentary overlap was inadequately perceived. We discuss the possibility that an abrupt sound temporally interrupts visual processing such as the formation of dynamic object representations.

Chironomidae larvae (Diptera) of Neotropical floodplain: overlap niche in different habitats.

Science.gov (United States)

Butakka, C M M; Ragonha, F H; Takeda, A M

2014-05-01

The niche overlap between trophic groups of Chironomidae larvae in different habitats was observed between trophic groups and between different environments in Neotropical floodplain. For the evaluation we used the index of niche overlap (CXY) and analysis of trophic networks, both from the types and amount of food items identified in the larval alimentary canal. In all environments, the larvae fed on mainly organic matter such as plants fragments and algae, but there were many omnivore larvae. Species that have high values of food items occurred in diverse environments as generalists with great overlap niche and those with a low amount of food items with less overlap niche were classified as specialists. The largest number of trophic niche overlap was observed among collector-gatherers in connected floodplain lakes. The lower values of index niche overlap were predators. The similarity in the diet of different taxa in the same niche does not necessarily imply competition between them, but coexistence when the food resource is not scarce in the environment even in partially overlapping niches.

Research on Some Bus Transport Networks with Random Overlapping Clique Structure

International Nuclear Information System (INIS)

Yang Xuhua; Sun Youxian; Wang Bo; Wang Wanliang

2008-01-01

On the basis of investigating the statistical data of bus transport networks of three big cities in China, we propose that each bus route is a clique (maximal complete subgraph) and a bus transport network (BTN) consists of a lot of cliques, which intensively connect and overlap with each other. We study the network properties, which include the degree distribution, multiple edges' overlapping time distribution, distribution of the overlap size between any two overlapping cliques, distribution of the number of cliques that a node belongs to. Naturally, the cliques also constitute a network, with the overlapping nodes being their multiple links. We also research its network properties such as degree distribution, clustering, average path length, and so on. We propose that a BTN has the properties of random clique increment and random overlapping clique, at the same time, a BTN is a small-world network with highly clique-clustered and highly clique-overlapped. Finally, we introduce a BTN evolution model, whose simulation results agree well with the statistical laws that emerge in real BTNs

The structure of the interface in the solvent mediated interaction of dipolar surfaces

International Nuclear Information System (INIS)

Dzhavakhidze, P.G.; Levadny, V.G.

1987-08-01

Interaction of two dipolar surfaces separated by a polar medium is considered within the framework of nonlocal electrostatics. The dipolar surface layers are modelled as regular lattices with fixed orientation of dipoles which are immersed into the solvent; solvent response is characterized by nonlocal dielectric function. The model is elaborated in order to reveal the role of the dipolar layer discreteness in the electric field produced by one surface and the interaction between two surfaces (which gives rise to the so called ''hydration'' or ''structural'' force acting between mineral surfaces and phospholipid bilayers). The discreteness effects are present only for commensurate lattices. Their special mutual arrangement then may lead to considerable reduction of structural forces, viz. the usual repulsion regime may change at short distances to attraction. Conditions are considered when repulsion is entirely replaced by attraction, i.e. the ''hydration barrier'' disappears. In appended note we discuss the role of solvation of surface dipolar groups. We propose an explanation of why two modes of decay (one with oscillative fine structure) may be present in the dependence of the force upon distance if the surface dipolar groups are immersed deep enough in the solvent and how the long-range oscillative mode disappears when the surface is but weakly solvated. (author). 35 refs, 5 figs

The structure of the interface in the solvent-mediated interaction of dipolar surfaces

International Nuclear Information System (INIS)

Dzhavakhidze, P.G.; Kornyshev, A.A.; Levadny, V.G.

1988-01-01

Interaction of two dipolar surfaces separated by a polar medium is considered within the framework of nonlocal electrostatics. The dipolar-surface layers are modelled as regular lattices with fixed orientation of dipoles which are immersed into the solvent; solvent response is characterized by nonlocal dielectric function. The model is elaborated in order to reveal the role of the dypolar-layer discreteness in the electric field produced by one surface and the interaction between two surfaces (which gives rise to the so-called ''hydration'' or ''structural'' force acting between mineral surfaces and phospholipid bilayers). The discreteness effects are present only for commensurate lattices. Their special mutual arrangement then may lead to considerable reduction of structural forces, viz. the usual repulsion regime may change at short distances to attraction. Conditions are considered when repulsion is entirely replaced by attraction, i.e. the ''hydration barrier'' disappears. In appended note it is discussed the role of solvation of surface dipolar groups. It is proposed an explanation of why two modes of decay (one with oscillative fine structure) may be present in the dependence of the force upon distance, if the surface dipolar groups are immersed deep enough in the solvent, and how the long-range oscillative mode disappears when the surface is but weakly solvated

Multi-directional plasmonic surface-wave splitters with full bandwidth isolation

International Nuclear Information System (INIS)

Gao, Zhen; Gao, Fei; Zhang, Baile

2016-01-01

We present a multidirectional plasmonic surface-wave splitter with full bandwidth isolation experimentally based on coupled defect surface modes in a surface-wave photonic crystal. In contrast to conventional plasmonic surface-wave frequency splitters with polaritonic dispersion relations that overlap at low frequencies, this multidirectional plasmonic surface-wave splitter based on coupled defect surface modes can split different frequency bands into different waveguide branches without bandwidth overlap. Transmission spectra and near-field imaging measurements have been implemented in the microwave frequencies to verify the performance of the multidirectional plasmonic surface-wave splitter. This surface wave structure can be used as a plasmonic wavelength-division multiplexer that may find potential applications in the surface-wave integrated circuits from microwave to terahertz frequencies.

Iterative methods for overlap and twisted mass fermions

International Nuclear Information System (INIS)

Chiarappa, T.; Jansen, K.; Shindler, A.; Wetzorke, I.; Scorzato, L.; Urbach, C.; Wenger, U.

2006-09-01

We present a comparison of a number of iterative solvers of linear systems of equations for obtaining the fermion propagator in lattice QCD. In particular, we consider chirally invariant overlap and chirally improved Wilson (maximally) twisted mass fermions. The comparison of both formulations of lattice QCD is performed at four fixed values of the pion mass between 230 MeV and 720 MeV. For overlap fermions we address adaptive precision and low mode preconditioning while for twisted mass fermions we discuss even/odd preconditioning. Taking the best available algorithms in each case we find that calculations with the overlap operator are by a factor of 30-120 more expensive than with the twisted mass operator. (orig.)

Iterative methods for overlap and twisted mass fermions

Energy Technology Data Exchange (ETDEWEB)

Chiarappa, T. [Univ. di Milano Bicocca (Italy); Jansen, K.; Shindler, A.; Wetzorke, I. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Nagai, K.I. [Wuppertal Univ. (Gesamthochschule) (Germany). Fachbereich Physik; Papinutto, M. [INFN Sezione di Roma Tre, Rome (Italy); Scorzato, L. [European Centre for Theoretical Studies in Nuclear Physics and Related Areas (ECT), Villazzano (Italy); Urbach, C. [Liverpool Univ. (United Kingdom). Dept. of Mathematical Sciences; Wenger, U. [ETH Zuerich (Switzerland). Inst. fuer Theoretische Physik

2006-09-15

We present a comparison of a number of iterative solvers of linear systems of equations for obtaining the fermion propagator in lattice QCD. In particular, we consider chirally invariant overlap and chirally improved Wilson (maximally) twisted mass fermions. The comparison of both formulations of lattice QCD is performed at four fixed values of the pion mass between 230 MeV and 720 MeV. For overlap fermions we address adaptive precision and low mode preconditioning while for twisted mass fermions we discuss even/odd preconditioning. Taking the best available algorithms in each case we find that calculations with the overlap operator are by a factor of 30-120 more expensive than with the twisted mass operator. (orig.)

The interaction of H2O with strained uranium metal surfaces

International Nuclear Information System (INIS)

Tiferet, E.; Mintz, M. H.; Zalkind, S.; Jacob, I.; Shamir, N.

2014-01-01

The interaction of water vapor was studied on uranium metal surfaces, with various degrees of strain (relieved by different degrees of heating). The main features of dissociation, adsorption and initial oxidation for the studied surfaces will be presented. Common to all strained surfaces, on the metal surface a full dissociation occurs, while after oxidation only on most of them the water dissociation is full and on one of them, it is only partial. The oxygen dissociation product adsorbs (with sticking coefficient decreasing with strain relief), forming clusters, for all strains, while the hydrogen product clusters only on the strain relieved and recrystallized surface. The most interesting phenomenon, revealed for these surfaces, is the inhibition of hydrogen adsorption by traces of water vapor , changing from 10% for the mostly strained (defected) surface down to 1% for the strain relieved one. The suggested mechanism for this inhibition will be discussed

Nuclear Fusion Research Understanding Plasma-Surface Interactions

CERN Document Server

Clark, Robert E.H

2005-01-01

It became clear in the early days of fusion research that the effects of the containment vessel (erosion of "impurities") degrade the overall fusion plasma performance. Progress in controlled nuclear fusion research over the last decade has led to magnetically confined plasmas that, in turn, are sufficiently powerful to damage the vessel structures over its lifetime. This book reviews current understanding and concepts to deal with this remaining critical design issue for fusion reactors. It reviews both progress and open questions, largely in terms of available and sought-after plasma-surface interaction data and atomic/molecular data related to these "plasma edge" issues.

Construction of ion accelerator for ion-surface interaction research

International Nuclear Information System (INIS)

Obara, Kenziro; Ohtsuka, Hidewo; Yamada, Rayji; Abe, Tetsuya; Sone, Kazuho

1977-09-01

A Cockcroft-Walton type ion accelerator for ion-surface interaction research was installed at Plasma Engineering Laboratory, Division of Thermonuclear Fusion Research, JAERI, in March 1977. Its maximum accelerating voltage is 400 kV. The accelerator has some outstanding features compared with the conventional type. Described are setup of the accelerator specification of the major components, safety system and performance. (auth.)

The esa earth explorer land surface processes and interactions mission

Science.gov (United States)

Labandibar, Jean-Yves; Jubineau, Franck; Silvestrin, Pierluigi; Del Bello, Umberto

2017-11-01

The European Space Agency (ESA) is defining candidate missions for Earth Observation. In the class of the Earth Explorer missions, dedicated to research and pre-operational demonstration, the Land Surface Processes and Interactions Mission (LSPIM) will acquire the accurate quantitative measurements needed to improve our understanding of the nature and evolution of biosphere-atmosphere interactions and to contribute significantly to a solution of the scaling problems for energy, water and carbon fluxes at the Earth's surface. The mission is intended to provide detailed observations of the surface of the Earth and to collect data related to ecosystem processes and radiation balance. It is also intended to address a range of issues important for environmental monitoring, renewable resources assessment and climate models. The mission involves a dedicated maneuvering satellite which provides multi-directional observations for systematic measurement of Land Surface BRDF (BiDirectional Reflectance Distribution Function) of selected sites on Earth. The satellite carries an optical payload : PRISM (Processes Research by an Imaging Space Mission), a multispectral imager providing reasonably high spatial resolution images (50 m over 50 km swath) in the whole optical spectral domain (from 450 nm to 2.35 μm with a resolution close to 10 nm, and two thermal bands from 8.1 to 9.1 μm). This paper presents the results of the Phase A study awarded by ESA, led by ALCATEL Space Industries and concerning the design of LSPIM.

Influence of dilution and nature of the interaction on surface and interface magnetism

International Nuclear Information System (INIS)

Tsallis, C.

1986-01-01

The recent theoretical effort of the Rio de Janeiro/CBPF group on surface magnetism is tutorially reviewed. Within a real space renormalization group framework, we analyse the influence of factors such as the number of states per spin (q-state Potts model), the signs of the coupling constants (mixed ferro and antiferromagnetic interactions), the presence of a second semi-infinite bulk (interface case), the symmetry of the interaction (anisotropic Heisenberg model), and surface and/or bulk dilution (bond quenched model). A variety of interesting physical effects emerges. (Autor) [pt

Caspase-2 associates with FAN through direct interaction and overlapping functionality.

Science.gov (United States)

Forsberg, Jeremy; Li, Xinge; Zamaraev, Aleksey V; Panaretakis, Theocharis; Zhivotovsky, Boris; Olsson, Magnus

2018-05-23

Caspase-2 has been implicated in diverse cellular processes, and the identification of factors with which it interacts has steadily increased. In the present study, we report a direct interaction between caspase-2 and factor associated with neutral sphingomyelinase activation (FAN) using yeast two-hybrid screening and co-immunoprecipitation. Further, stable suppression of caspase-2 expression in HEK293T and HeLa cells enabled a systematic investigation of putative novel enzyme functionalities, especially with respect to ceramide production, cell migration, IL-6 production and vesicular homeostasis, all of which have been previously reported to be associated with FAN. Lipidomics excluded the involvement of caspase-2 in the generation of ceramide species, but caspase-2-dependent deregulation of IL-6 release, vesicular size and delayed cell relocation supported an association between caspase-2 and FAN. Collectively, these data identify a novel caspase-2-interacting factor, FAN, and expand the role for the enzyme in seemingly non-apoptotic cellular mechanisms. Copyright © 2018 Elsevier Inc. All rights reserved.

Comparison of Non-overlapping and Overlapping Local/Global Iteration Schemes for Whole-Core Deterministic Transport Calculation

International Nuclear Information System (INIS)

Yuk, Seung Su; Cho, Bumhee; Cho, Nam Zin

2013-01-01

In the case of deterministic transport model, fixed-k problem formulation is necessary and the overlapping local domain is chosen. However, as mentioned in, the partial current-based Coarse Mesh Finite Difference (p-CMFD) procedure enables also non-overlapping local/global (NLG) iteration. In this paper, NLG iteration is combined with p-CMFD and with CMFD (augmented with a concept of p-CMFD), respectively, and compared to OLG iteration on a 2-D test problem. Non-overlapping local/global iteration with p-CMFD and CMFD global calculation is introduced and tested on a 2-D deterministic transport problem. The modified C5G7 problem is analyzed with both NLG and OLG methods and the solutions converge to the reference solution except for some cases of NLG with CMFD. NLG with CMFD gives the best performance if the solution converges. But if fission-source iteration in local calculation is not enough, it is prone to diverge. The p-CMFD global solver gives unconditional convergence (for both OLG and NLG). A study of switching scheme is in progress, where NLG/p-CMFD is used as 'starter' and then switched to NLG/CMFD to render the whole-core transport calculation more efficient and robust. Parallel computation is another obvious future work

Large gene overlaps in prokaryotic genomes: result of functional constraints or mispredictions?

Directory of Open Access Journals (Sweden)

Harrington Eoghan D

2008-07-01

Full Text Available Abstract Background Across the fully sequenced microbial genomes there are thousands of examples of overlapping genes. Many of these are only a few nucleotides long and are thought to function by permitting the coordinated regulation of gene expression. However, there should also be selective pressure against long overlaps, as the existence of overlapping reading frames increases the risk of deleterious mutations. Here we examine the longest overlaps and assess whether they are the product of special functional constraints or of erroneous annotation. Results We analysed the genes that overlap by 60 bps or more among 338 fully-sequenced prokaryotic genomes. The likely functional significance of an overlap was determined by comparing each of the genes to its respective orthologs. If a gene showed a significantly different length from its orthologs it was considered unlikely to be functional and therefore the result of an error either in sequencing or gene prediction. Focusing on 715 co-directional overlaps longer than 60 bps, we classified the erroneous ones into five categories: i 5'-end extension of the downstream gene due to either a mispredicted start codon or a frameshift at 5'-end of the gene (409 overlaps, ii fragmentation of a gene caused by a frameshift (163, iii 3'-end extension of the upstream gene due to either a frameshift at 3'-end of a gene or point mutation at the stop codon (68, iv Redundant gene predictions (4, v 5' & 3'-end extension which is a combination of i and iii (71. We also studied 75 divergent overlaps that could be classified as misannotations of group i. Nevertheless we found some convergent long overlaps (54 that might be true overlaps, although an important part of convergent overlaps could be classified as group iii (124. Conclusion Among the 968 overlaps larger than 60 bps which we analysed, we did not find a single real one among the co-directional and divergent orientations and concluded that there had been an

SGP Cloud and Land Surface Interaction Campaign (CLASIC): Measurement Platforms

Energy Technology Data Exchange (ETDEWEB)

MA Miller; R Avissar; LK Berg; SA Edgerton; ML Fischer; TJ Jackson; B. Kustas; PJ Lamb; G McFarquhar; Q Min; B Schmid; MS Torn; DD Tuner

2007-06-01

The Cloud and Land Surface Interaction Campaign (CLASIC) will be conducted from June 8 to June 30, 2007, at the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) Climate Research Facility (ACRF) Southern Great Plains (SGP) site. Data will be collected using eight aircraft equipped with a variety of specialized sensors, four specially instrumented surface sites, and two prototype surface radar systems. The architecture of CLASIC includes a high-altitude surveillance aircraft and enhanced vertical thermodynamic and wind profile measurements that will characterize the synoptic scale structure of the clouds and the land surface within the ACRF SGP site. Mesoscale and microscale structures will be sampled with a variety of aircraft, surface, and radar observations. An overview of the measurement platforms that will be used during the CLASIC are described in this report. The coordination of measurements, especially as it relates to aircraft flight plans, will be discussed in the CLASIC Implementation Plan.

Study of plasma-surface interaction at the GOL-3 facility

Energy Technology Data Exchange (ETDEWEB)

Shoshin, A.A., E-mail: shoshin@mail.ru [Budker Institute of Nuclear Physics SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Arakcheev, A.S., E-mail: asarakcheev@gmail.com [Budker Institute of Nuclear Physics SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Arzhannikov, A.V., E-mail: A.V.Arzhannikov@inp.nsk.su [Budker Institute of Nuclear Physics SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Burdakov, A.V., E-mail: a.v.burdakov@mail.ru [Budker Institute of Nuclear Physics SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State Technical University, Novosibirsk 630092 (Russian Federation); Ivanov, I.A., E-mail: I.A.Ivanov@inp.nsk.su [Budker Institute of Nuclear Physics SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Kasatov, A.A., E-mail: a.a.kasatov@gmail.com [Budker Institute of Nuclear Physics SB RAS, Novosibirsk 630090 (Russian Federation); Kuklin, K.N., E-mail: K.N.Kuklin@inp.nsk.su [Budker Institute of Nuclear Physics SB RAS, Novosibirsk 630090 (Russian Federation); Polosatkin, S.V., E-mail: S.V.Polosatkin@inp.nsk.su [Budker Institute of Nuclear Physics SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Postupaev, V.V., E-mail: V.V.Postupaev@inp.nsk.su [Budker Institute of Nuclear Physics SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Sinitsky, S.L., E-mail: S.L.Sinitsky@inp.nsk.su [Budker Institute of Nuclear Physics SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); and others

2017-01-15

The review presents experimental studies of plasma-surface interaction and materials behavior under plasma loads done in the multiple-mirror trap of the GOL-3 facility. In the experiments for the PSI, the energy density in the extracted plasma stream varies from 0.5 to 30 MJ/m{sup 2}. Parameters of near-surface plasma measured by a set of diagnostics are reviewed. Surface patterns of targets exposed to the plasma are analyzed. The erosion depth depends on the energy loads—it rises from 0 to 600 μm at 0.5 and 30 MJ/m{sup 2}, correspondingly. Cracking and evolution of graphite and tungsten surface morphology are discussed. The enthalpy of brittle destruction of graphite (10 kJ/g), which determines the threshold of bulk damage of targets irradiated with a charged-particle flux with large penetration depth, was determined. Comparison of different facilities for PSI studies are presented. Heat flux play a key role to the target surface erosion.

Presentation of dynamically overlapping auditory messages in user interfaces

Energy Technology Data Exchange (ETDEWEB)

Papp, III, Albert Louis [Univ. of California, Davis, CA (United States)

1997-09-01

This dissertation describes a methodology and example implementation for the dynamic regulation of temporally overlapping auditory messages in computer-user interfaces. The regulation mechanism exists to schedule numerous overlapping auditory messages in such a way that each individual message remains perceptually distinct from all others. The method is based on the research conducted in the area of auditory scene analysis. While numerous applications have been engineered to present the user with temporally overlapped auditory output, they have generally been designed without any structured method of controlling the perceptual aspects of the sound. The method of scheduling temporally overlapping sounds has been extended to function in an environment where numerous applications can present sound independently of each other. The Centralized Audio Presentation System is a global regulation mechanism that controls all audio output requests made from all currently running applications. The notion of multimodal objects is explored in this system as well. Each audio request that represents a particular message can include numerous auditory representations, such as musical motives and voice. The Presentation System scheduling algorithm selects the best representation according to the current global auditory system state, and presents it to the user within the request constraints of priority and maximum acceptable latency. The perceptual conflicts between temporally overlapping audio messages are examined in depth through the Computational Auditory Scene Synthesizer. At the heart of this system is a heuristic-based auditory scene synthesis scheduling method. Different schedules of overlapped sounds are evaluated and assigned penalty scores. High scores represent presentations that include perceptual conflicts between over-lapping sounds. Low scores indicate fewer and less serious conflicts. A user study was conducted to validate that the perceptual difficulties predicted by

Interactions of Graphene Oxide Nanomaterials with Natural Organic Matter and Metal Oxide Surfaces

Science.gov (United States)

Interactions of graphene oxide (GO) with silica surfaces were investigated using a quartz crystal microbalance with dissipation monitoring (QCM-D). Both GO deposition and release were monitored on silica- and poly-l-lysine (PLL) coated surfaces as a function of GO concentration a...

Human Skin Is the Largest Epithelial Surface for Interaction with Microbes.

Science.gov (United States)

Gallo, Richard L

2017-06-01

Human skin contains an abundant and diverse population of microbial organisms. Many of these microbes inhabit follicular structures of the skin. Furthermore, numerous studies have shown that the interaction of some members of the skin microbiome with host cells will result in changes in cell function. However, estimates of the potential for the microbiome to influence human health through skin have ignored the inner follicular surface, and therefore vastly underestimated the potential of the skin microbiome to have a systemic effect on the human body. By calculating the surface area of follicular and the interfollicular epithelial surface it is shown that skin provides a vast interface for interactions with the microbiome. Copyright © 2017 The Author. Published by Elsevier Inc. All rights reserved.

An interactive local flattening operator to support digital investigations on artwork surfaces.

Science.gov (United States)

Pietroni, Nico; Massimiliano, Corsini; Cignoni, Paolo; Scopigno, Roberto

2011-12-01

Analyzing either high-frequency shape detail or any other 2D fields (scalar or vector) embedded over a 3D geometry is a complex task, since detaching the detail from the overall shape can be tricky. An alternative approach is to move to the 2D space, resolving shape reasoning to easier image processing techniques. In this paper we propose a novel framework for the analysis of 2D information distributed over 3D geometry, based on a locally smooth parametrization technique that allows us to treat local 3D data in terms of image content. The proposed approach has been implemented as a sketch-based system that allows to design with a few gestures a set of (possibly overlapping) parameterizations of rectangular portions of the surface. We demonstrate that, due to the locality of the parametrization, the distortion is under an acceptable threshold, while discontinuities can be avoided since the parametrized geometry is always homeomorphic to a disk. We show the effectiveness of the proposed technique to solve specific Cultural Heritage (CH) tasks: the analysis of chisel marks over the surface of a unfinished sculpture and the local comparison of multiple photographs mapped over the surface of an artwork. For this very difficult task, we believe that our framework and the corresponding tool are the first steps toward a computer-based shape reasoning system, able to support CH scholars with a medium they are more used to. © 2011 IEEE

Imbalance in Groundwater-Surface Water Interactions and its Relationship to the Coastal Zone Hazards

Science.gov (United States)

Kontar, Y. A.; Ozorovich, Y. R.; Salokhiddinov, A. T.

2011-12-01

We report here some efforts and results in studying the imbalance in groundwater-surface water interactions and processes of groundwater-surface water interactions and groundwater flooding creating hazards in the coastal zones. Hazards, hydrological and geophysical risk analysis related to imbalance in groundwater-surface water interactions and groundwater flooding have been to a large extent under-emphasized for coastal zone applications either due to economical limitations or underestimation of significance of imbalance in groundwater-surface water interactions. This is particularly true for tsunamis creating salt water intrusion to coastal aquifers, even though most tsunami hazard assessments have in the past relied on scenario or deterministic type models, and to increasing mineralization of potable water because of intensive water diversions and also the abundance of highly toxic pollutants (mainly pesticides) in water, air and food, which contribute to the deterioration of the coastal population's health. In the wake of pressing environmental and economic issues, it is of prime importance for the scientific community to shed light onto the great efforts by hydrologists and geophysicists to quantify conceptual uncertainties and to provide quality assurances of potential coastal zone hazard evaluation and prediction under conditions of imbalance in groundwater-surface water interactions. This paper proposes consideration of two case studies which are important and significant for future understanding of a concept of imbalance in groundwater-surface water interactions and development and essential for feasibility studies of hazards in the coastal zone. The territory of the Aral Sea Region in Central Asia is known as an ecological disaster coastal zone. It is now obvious that, in order to provide reasonable living conditions to the coastal zone population, it is first of all necessary to drastically improve the quality of the water dedicated to human needs. Due

Studying groundwater and surface water interactions using airborne remote sensing in Heihe River basin, northwest China

OpenAIRE

Liu, C.; Liu, J.; Hu, Y.; Zheng, C.

2015-01-01

Managing surface water and groundwater as a unified system is important for water resource exploitation and aquatic ecosystem conservation. The unified approach to water management needs accurate characterization of surface water and groundwater interactions. Temperature is a natural tracer for identifying surface water and groundwater interactions, and the use of remote sensing techniques facilitates basin-scale temperature measurement. This study focuses on the Heihe River basin, the second...

Water quality responses to the interaction between surface water and groundwater along the Songhua River, NE China

Science.gov (United States)

Teng, Yanguo; Hu, Bin; Zheng, Jieqiong; Wang, Jinsheng; Zhai, Yuanzheng; Zhu, Chen

2018-03-01

Investigation of surface water and groundwater interaction (SW-GW interaction) provides basic information for regional water-resource protection, management, and development. In this survey of a 10-km-wide area along both sides of the Songhua River, northeast China, the hydrogeochemical responses to different SW-GW interactions were studied. Three types of SW-GW interactions were identified—"recharge", "discharge", and "flow-through"—according to the hydraulic connection between the surface water and groundwater. The single factor index, principal component analysis, and hierarchical cluster analysis of the hydrogeochemistry and pollutant data illuminated the hydrogeochemical response to the various SW-GW interactions. Clear SW-GW interactions along the Songhua River were revealed: (1) upstream in the study area, groundwater usually discharges into the surface water, (2) groundwater is recharged by surface water downstream, and (3) discharge and flow-through coexist in between. Statistical analysis indicated that the degree of hydrogeochemical response in different types of hydraulic connection varied, being clear in recharge and flow-through modes, and less obvious in discharge mode. During the interaction process, dilution, adsorption, redox reactions, nitrification, denitrification, and biodegradation contributed to the pollutant concentration and affected hydrogeochemical response in the hyporheic zone.

Decomposition of overlapping protein complexes: A graph theoretical method for analyzing static and dynamic protein associations

Directory of Open Access Journals (Sweden)

Guimarães Katia S

2006-04-01

Full Text Available Abstract Background Most cellular processes are carried out by multi-protein complexes, groups of proteins that bind together to perform a specific task. Some proteins form stable complexes, while other proteins form transient associations and are part of several complexes at different stages of a cellular process. A better understanding of this higher-order organization of proteins into overlapping complexes is an important step towards unveiling functional and evolutionary mechanisms behind biological networks. Results We propose a new method for identifying and representing overlapping protein complexes (or larger units called functional groups within a protein interaction network. We develop a graph-theoretical framework that enables automatic construction of such representation. We illustrate the effectiveness of our method by applying it to TNFα/NF-κB and pheromone signaling pathways. Conclusion The proposed representation helps in understanding the transitions between functional groups and allows for tracking a protein's path through a cascade of functional groups. Therefore, depending on the nature of the network, our representation is capable of elucidating temporal relations between functional groups. Our results show that the proposed method opens a new avenue for the analysis of protein interaction networks.

Microarrays for the evaluation of cell-biomaterial surface interactions

Science.gov (United States)

Thissen, H.; Johnson, G.; McFarland, G.; Verbiest, B. C. H.; Gengenbach, T.; Voelcker, N. H.

2007-01-01

The evaluation of cell-material surface interactions is important for the design of novel biomaterials which are used in a variety of biomedical applications. While traditional in vitro test methods have routinely used samples of relatively large size, microarrays representing different biomaterials offer many advantages, including high throughput and reduced sample handling. Here, we describe the simultaneous cell-based testing of matrices of polymeric biomaterials, arrayed on glass slides with a low cell-attachment background coating. Arrays were constructed using a microarray robot at 6 fold redundancy with solid pins having a diameter of 375 μm. Printed solutions contained at least one monomer, an initiator and a bifunctional crosslinker. After subsequent UV polymerisation, the arrays were washed and characterised by X-ray photoelectron spectroscopy. Cell culture experiments were carried out over 24 hours using HeLa cells. After labelling with CellTracker ® Green for the final hour of incubation and subsequent fixation, the arrays were scanned. In addition, individual spots were also viewed by fluorescence microscopy. The evaluation of cell-surface interactions in high-throughput assays as demonstrated here is a key enabling technology for the effective development of future biomaterials.

The interaction between multiple bubbles and the free surface

International Nuclear Information System (INIS)

Zhang Aman; Yao Xiongliang

2008-01-01

The flow is assumed to be potential, and a boundary integral method is used to solve the Laplace equation for the velocity potential to investigate the shape and the position of the bubble. A 3D code to study the bubble dynamics is developed, and the calculation results agree well with the experimental data. Numerical analyses are carried out for the interaction between multiple bubbles near the free surface including in-phase and out-of-phase bubbles. The calculation result shows that the bubble period increases with the decrease of the distance between bubble centres because of the depression effect between multiple bubbles. The depression has no relationship with the free surface and it is more apparent for out-of-phase bubbles. There are great differences in dynamic behaviour between the in-phase bubbles and the out-of-phase bubbles due to the depression effect. Furthermore, the interaction among eight bubbles is simulated with a three-dimensional model, and the evolving process and the relevant physical phenomena are presented. These phenomena can give a reference to the future work on the power of bubbles induced by multiple charges exploding simultaneously or continuously

Integrated Modeling of Groundwater and Surface Water Interactions in a Manmade Wetland

Directory of Open Access Journals (Sweden)

Guobiao Huang Gour-Tsyh Yeh

2012-01-01

Full Text Available A manmade pilot wetland in south Florida, the Everglades Nutrient Removal (ENR project, was modeled with a physics-based integrated approach using WASH123D (Yeh et al. 2006. Storm water is routed into the treatment wetland for phosphorus removal by plant and sediment uptake. It overlies a highly permeable surficial groundwater aquifer. Strong surface water and groundwater interactions are a key component of the hydrologic processes. The site has extensive field measurement and monitoring tools that provide point scale and distributed data on surface water levels, groundwater levels, and the physical range of hydraulic parameters and hydrologic fluxes. Previous hydrologic and hydrodynamic modeling studies have treated seepage losses empirically by some simple regression equations and, only surface water flows are modeled in detail. Several years of operational data are available and were used in model historical matching and validation. The validity of a diffusion wave approximation for two-dimensional overland flow (in the region with very flat topography was also tested. The uniqueness of this modeling study is notable for (1 the point scale and distributed comparison of model results with observed data; (2 model parameters based on available field test data; and (3 water flows in the study area include two-dimensional overland flow, hydraulic structures/levees, three-dimensional subsurface flow and one-dimensional canal flow and their interactions. This study demonstrates the need and the utility of a physics-based modeling approach for strong surface water and groundwater interactions.

Fabricating bio-inspired micro/nano-particles by polydopamine coating and surface interactions with blood platelets

Energy Technology Data Exchange (ETDEWEB)

Ye, Wei [Jiangsu Provincial Key Lab for Interventional Medical Devices, Huaiyin Institute of Technology, Huaian 223003 (China); State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Shi, Qiang, E-mail: shiqiang@ciac.ac.cn [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Hou, Jianwen; Gao, Jian; Li, Chunming; Jin, Jing; Shi, Hengchong [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Yin, Jinghua, E-mail: yinjh@ciac.ac.cn [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

2015-10-01

Graphical abstract: The particles or particle aggregations activate the blood platelets and provide the physical adhesive sites for platelets adhesion. - Highlights: • Particles with varied sizes and surface properties were fabricated by facile polydopamine (PDA) coating on polystyrene microsphere. • The direct interaction between PDA particles and blood platelets was qualitatively investigated. • The knowledge on platelet–particle interactions provided the basic principle to select biocompatible micro/nano-particles in biomedical field. - Abstract: Although bio-inspired polydopamine (PDA) micro/nano-particles show great promise for biomedical applications, the knowledge on the interactions between micro/nano-particles and platelets is still lacking. Here, we fabricate PDA-coated micro/nano-particles and investigate the platelet–particle surface interactions. Our strategy takes the advantage of facile PDA coating on polystyrene (PS) microsphere to fabricate particles with varied sizes and surface properties, and the chemical reactivity of PDA layers to immobilize fibrinogen and bovine serum albumin to manipulate platelet activation and adhesion. We demonstrate that PS particles activate the platelets in the size-dependent manner, but PDA nanoparticles have slight effect on platelet activation; PS particles promote platelet adhesion while PDA particles reduce platelet adhesion on the patterned surface; Particles interact with platelets through activating the glycoprotein integrin receptor of platelets and providing physical sites for initial platelet adhesion. Our work sheds new light on the interaction between platelets and particles, which provides the basic principle to select biocompatible micro/nano-particles in biomedical field.

Word and face processing engage overlapping distributed networks: Evidence from RSVP and EEG investigations.

Science.gov (United States)

Robinson, Amanda K; Plaut, David C; Behrmann, Marlene

2017-07-01

Words and faces have vastly different visual properties, but increasing evidence suggests that word and face processing engage overlapping distributed networks. For instance, fMRI studies have shown overlapping activity for face and word processing in the fusiform gyrus despite well-characterized lateralization of these objects to the left and right hemispheres, respectively. To investigate whether face and word perception influences perception of the other stimulus class and elucidate the mechanisms underlying such interactions, we presented images using rapid serial visual presentations. Across 3 experiments, participants discriminated 2 face, word, and glasses targets (T1 and T2) embedded in a stream of images. As expected, T2 discrimination was impaired when it followed T1 by 200 to 300 ms relative to longer intertarget lags, the so-called attentional blink. Interestingly, T2 discrimination accuracy was significantly reduced at short intertarget lags when a face was followed by a word (face-word) compared with glasses-word and word-word combinations, indicating that face processing interfered with word perception. The reverse effect was not observed; that is, word-face performance was no different than the other object combinations. EEG results indicated the left N170 to T1 was correlated with the word decrement for face-word trials, but not for other object combinations. Taken together, the results suggest face processing interferes with word processing, providing evidence for overlapping neural mechanisms of these 2 object types. Furthermore, asymmetrical face-word interference points to greater overlap of face and word representations in the left than the right hemisphere. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

An immersion calorimetric study of the interactions between some organic molecules and functionalized carbon nanotube surfaces

International Nuclear Information System (INIS)

Castillejos-López, E.; Bachiller-Baeza, B.; Guerrero-Ruiz, A.; Rodriguez-Ramos, I.

2013-01-01

Highlights: ► The interaction of organic chemicals with the surface of modified CNTs was studied. ► Specific π–π interactions between graphitic CNTs and toluene have been considered. ► Confinement effects in CNTs increase the adsorption strength of aromatic compounds. ► Methanol molecules form H-bonds with the oxygen functional groups on CNT surfaces. - Abstract: The interaction of organic chemicals with the surface of carbon nanotubes has been studied by immersion calorimetry revealing significant differences in the properties when these materials are modified thermally or chemically. Therefore, multiwall carbon nanotubes have been synthesized using a chemical vapour deposition procedure and subsequently aliquots were treated with HNO 3 at reflux, maintaining the reaction during different times, in order to incorporate oxygen surface groups, or were treated at 2873 K under inert atmosphere. The aim of this thermal treatment is to eliminate structural defects of the carbon nanostructures and to graphitize the amorphous carbon phases. These features were confirmed by high-resolution transmission electron microscopy. The immersion in organic compounds, including toluene, methanol and methylcyclohexane, of all these carbon nanotubes samples reveals that the surface properties are remarkably modified. Thus, the formation of different types of interaction, depending on the surface, gives place to changes in the immersion enthalpies

Magnetic Interaction between Surface-Engineered Rare-Earth Atomic Spins

Directory of Open Access Journals (Sweden)

Chiung-Yuan Lin

2012-06-01

Full Text Available We report the ab-initio study of rare-earth adatoms (Gd on an insulating surface. This surface is of interest because of previous studies by scanning tunneling microscopy showing spin excitations of transition-metal adatoms. The present work is the first study of rare-earth spin-coupled adatoms, as well as the geometry effect of spin coupling and the underlying mechanism of ferromagnetic coupling. The exchange coupling between Gd atoms on the surface is calculated to be antiferromagnetic in a linear geometry and ferromagnetic in a diagonal geometry. We also find that the Gd dimers in these two geometries are similar to the nearest-neighbor and the next-nearest-neighbor Gd atoms in GdN bulk. We analyze how much direct exchange, superexchange, and Ruderman-Kittel-Kasuya-Yosida interactions contribute to the exchange coupling for both geometries by additional first-principles calculations of related model systems.

Ion-surface interaction: simulation of plasma-wall interaction (ITER)

International Nuclear Information System (INIS)

Salou, Pierre

2013-01-01

The wall materials of magnetic confinement in fusion machines are exposed to an aggressive environment; the reactor blanket is bombarded with a high flux of particles extracted from the plasma, leading to the sputtering of surface material. This sputtering causes wall erosion as well as plasma contamination problems. In order to control fusion reactions in complex reactors, it is thus imperative to well understand the plasma-wall interactions. This work proposes the study of the sputtering of fusion relevant materials. We propose to simulate the charged particles influx by few keV single-charged ion beams. This study is based on the catcher method; to avoid any problem of pollution (especially in the case of carbon) we designed a new setup allowing an in situ Auger electron spectroscopy analysis. The results provide the evolution of the angular distribution of the sputtering yield as a function of the ion mass (from helium to xenon) and its energy (from 3 keV to 9 keV). (author) [fr

Cluster ion-surface interactions: from meV to MeV energies

Energy Technology Data Exchange (ETDEWEB)

Nordlund, Kai; Meinander, Kristoffer; Jaervi, Tommi T.; Peltola, Jarkko; Samela, Juha [Accelerator Laboratory, University of Helsinki (Finland)

2008-07-01

The nature of cluster ion-surface interactions changes dramatically with the kinetic energy of the incoming cluster species. In this talk I review some of our recent work on the nature of cluster-surface interactions spanning an energy range from a few MeV/cluster to about 1 MeV/cluster and cluster sizes in the range of 10 - 1000 atoms/cluster. In the energy range of a few MeV/cluster ion, the kinetic energy of the incoming ion is insignificant compared to the energy gained when the surface potential energy at the cluster-surface interface is released and partly translated into kinetic energy. Even in this energy regime I show that surprisingly drastic effects can occur. When the energy of the incoming cluster is raised to a few eV/atom, the kinetic energy of the incoming cluster starts to affect the deposition. It will cause the cluster to entirely reform on impact. When the energy is raised to the range of keV's/cluster, the clusters start to penetrate the sample, fairly similar to conventional ion implantation. However, in dense targets the cluster ions may stick close to each other long enough to cause a significant enhancement of the heat spike in the material. Finally, I show that at kinetic energies around 1 MeV/cluster the cluster enhancement of the heat spike may lead to dramatic surface effects.

Composition of Overlapping Protein-Protein and Protein-Ligand Interfaces.

Directory of Open Access Journals (Sweden)

Ruzianisra Mohamed

Full Text Available Protein-protein interactions (PPIs play a major role in many biological processes and they represent an important class of targets for therapeutic intervention. However, targeting PPIs is challenging because often no convenient natural substrates are available as starting point for small-molecule design. Here, we explored the characteristics of protein interfaces in five non-redundant datasets of 174 protein-protein (PP complexes, and 161 protein-ligand (PL complexes from the ABC database, 436 PP complexes, and 196 PL complexes from the PIBASE database and a dataset of 89 PL complexes from the Timbal database. In all cases, the small molecule ligands must bind at the respective PP interface. We observed similar amino acid frequencies in all three datasets. Remarkably, also the characteristics of PP contacts and overlapping PL contacts are highly similar.

Study of plasma formation in CW CO2 laser beam-metal surface interaction

Science.gov (United States)

Azharonok, V. V.; Vasilchenko, Zh V.; Golubev, Vladimir S.; Gresev, A. N.; Zabelin, Alexandre M.; Chubrik, N. I.; Shimanovich, V. D.

1994-04-01

An interaction of the cw CO2 laser beam and a moving metal surface has been studied. The pulsed and thermodynamical parameters of the surface plasma were investigated by optical and spectroscopical methods. The subsonic radiation wave propagation in the erosion plasma torch has been studied.

DNA base dimers are stabilized by hydrogen-bonding interactions including non-Watson-Crick pairing near graphite surfaces.

Science.gov (United States)

Shankar, Akshaya; Jagota, Anand; Mittal, Jeetain

2012-10-11

Single- and double-stranded DNA are increasingly being paired with surfaces and nanoparticles for numerous applications, such as sensing, imaging, and drug delivery. Unlike the majority of DNA structures in bulk that are stabilized by canonical Watson-Crick pairing between Ade-Thy and Gua-Cyt, those adsorbed on surfaces are often stabilized by noncanonical base pairing, quartet formation, and base-surface stacking. Not much is known about these kinds of interactions. To build an understanding of the role of non-Watson-Crick pairing on DNA behavior near surfaces, one requires basic information on DNA base pair stacking and hydrogen-bonding interactions. All-atom molecular simulations of DNA bases in two cases--in bulk water and strongly adsorbed on a graphite surface--are conducted to study the relative strengths of stacking and hydrogen bond interactions for each of the 10 possible combinations of base pairs. The key information obtained from these simulations is the free energy as a function of distance between two bases in a pair. We find that stacking interactions exert the dominant influence on the stability of DNA base pairs in bulk water as expected. The strength of stability for these stacking interactions is found to decrease in the order Gua-Gua > Ade-Gua > Ade-Ade > Gua-Thy > Gua-Cyt > Ade-Thy > Ade-Cyt > Thy-Thy > Cyt-Thy > Cyt-Cyt. On the other hand, mutual interactions of surface-adsorbed base pairs are stabilized mostly by hydrogen-bonding interactions in the order Gua-Cyt > Ade-Gua > Ade-Thy > Ade-Ade > Cyt-Thy > Gua-Gua > Cyt-Cyt > Ade-Cyt > Thy-Thy > Gua-Thy. Interestingly, several non-Watson-Crick base pairings, which are commonly ignored, have similar stabilization free energies due to interbase hydrogen bonding as Watson-Crick pairs. This clearly highlights the importance of non-Watson-Crick base pairing in the development of secondary structures of oligonucleotides near surfaces.

Simple Comparative Analyses of Differentially Expressed Gene Lists May Overestimate Gene Overlap.

Science.gov (United States)

Lawhorn, Chelsea M; Schomaker, Rachel; Rowell, Jonathan T; Rueppell, Olav

2018-04-16

Comparing the overlap between sets of differentially expressed genes (DEGs) within or between transcriptome studies is regularly used to infer similarities between biological processes. Significant overlap between two sets of DEGs is usually determined by a simple test. The number of potentially overlapping genes is compared to the number of genes that actually occur in both lists, treating every gene as equal. However, gene expression is controlled by transcription factors that bind to a variable number of transcription factor binding sites, leading to variation among genes in general variability of their expression. Neglecting this variability could therefore lead to inflated estimates of significant overlap between DEG lists. With computer simulations, we demonstrate that such biases arise from variation in the control of gene expression. Significant overlap commonly arises between two lists of DEGs that are randomly generated, assuming that the control of gene expression is variable among genes but consistent between corresponding experiments. More overlap is observed when transcription factors are specific to their binding sites and when the number of genes is considerably higher than the number of different transcription factors. In contrast, overlap between two DEG lists is always lower than expected when the genetic architecture of expression is independent between the two experiments. Thus, the current methods for determining significant overlap between DEGs are potentially confounding biologically meaningful overlap with overlap that arises due to variability in control of expression among genes, and more sophisticated approaches are needed.

Interactions between β-catenin and the HSlo potassium channel regulates HSlo surface expression.

Directory of Open Access Journals (Sweden)

Shumin Bian

Full Text Available The large conductance calcium-activated potassium channel alpha-subunit (Slo is widely distributed throughout the body and plays an important role in a number of diseases. Prior work has shown that Slo, through its S10 region, interacts with β-catenin, a key component of the cytoskeleton framework and the Wnt signaling pathway. However, the physiological significance of this interaction was not clear.Using a combination of proteomic and cell biology tools we show the existence of additional multiple binding sites in Slo, and explore in detail β-catenin interactions with the S10 region. We demonstrate that deletion of this region reduces Slo surface expression in HEK cells, which indicates that interaction with beta-catenin is important for Slo surface expression. This is confirmed by reduced expression of Slo in HEK cells and chicken (Gallus gallus domesticus leghorn white hair cells treated with siRNA to β-catenin. HSlo reciprocally co-immunoprecipitates with β-catenin, indicating a stable binding between these two proteins, with the S10 deletion mutant having reduced binding with β-catenin. We also observed that mutations of the two putative GSK phosphorylation sites within the S10 region affect both the surface expression of Slo and the channel's voltage and calcium sensitivities. Interestingly, expression of exogenous Slo in HEK cells inhibits β-catenin-dependent canonical Wnt signaling.These studies identify for the first time a central role for β-catenin in mediating Slo surface expression. Additionally we show that Slo overexpression can lead to downregulation of Wnt signaling.

A dynamic model for managing overlapped iterative product development

NARCIS (Netherlands)

Lin, J.; Chai, K.H.; Wong, Y.S.; Brombacher, A.C.

2008-01-01

Intense competition in many industries impels firms to develop more products in less time. Overlapping of development activities is regarded as one of the most promising strategies to reduce project cycle time. However, the gain from overlapping must be weighed against the additional resource and

Terahertz instability of surface optical-phonon polaritons that interact with surface plasmon polaritons in the presence of electron drift

International Nuclear Information System (INIS)

Sydoruk, O.; Solymar, L.; Shamonina, E.; Kalinin, V.

2010-01-01

Traveling-wave interaction between optical phonons and electrons drifting in diatomic semiconductors has potential for amplification and generation of terahertz radiation. Existing models of this interaction were developed for infinite materials. As a more practically relevant configuration, we studied theoretically a finite semiconductor slab surrounded by a dielectric. This paper analyzes the optical-phonon instability in the slab including the Lorentz force and compares it to the instability in an infinite material. As the analysis shows, the slab instability occurs because of the interaction of surface optical-phonon polaritons with surface plasmon polaritons in the presence of electron drift. The properties of the instability depend on the slab thickness when the thickness is comparable to the wavelength. For large slab thicknesses, however, the dispersion relation of the slab is similar to that of an infinite material, although the coupling is weaker. The results could be used for the design of practical terahertz traveling-wave oscillators and amplifiers.

Optimization of overlap uniformness for ptychography.

Science.gov (United States)

Huang, Xiaojing; Yan, Hanfei; Harder, Ross; Hwu, Yeukuang; Robinson, Ian K; Chu, Yong S

2014-05-19

We demonstrate the advantages of imaging with ptychography scans that follow a Fermat spiral trajectory. This scan pattern provides a more uniform coverage and a higher overlap ratio with the same number of scan points over the same area than the presently used mesh and concentric [13] patterns. Under realistically imperfect measurement conditions, numerical simulations show that the quality of the reconstructed image is improved significantly with a Fermat spiral compared with a concentric scan pattern. The result is confirmed by the performance enhancement with experimental data, especially under low-overlap conditions. These results suggest that the Fermat spiral pattern increases the quality of the reconstructed image and tolerance to data with imperfections.

Communication Avoiding and Overlapping for Numerical Linear Algebra

Science.gov (United States)

2012-05-08

future exascale systems, communication cost must be avoided or overlapped. Communication-avoiding 2.5D algorithms improve scalability by reducing...linear algebra problems to future exascale systems, communication cost must be avoided or overlapped. Communication-avoiding 2.5D algorithms improve...will continue to grow relative to the cost of computation. With exascale computing as the long-term goal, the community needs to develop techniques

Nonlinear interaction of the surface waves at a plasma boundary

International Nuclear Information System (INIS)

Dolgopolov, V.V.; El-Naggar, I.A.; Hussein, A.M.; Khalil, Sh.M.

1976-01-01

Amplitudes of electromagnetic waves with combination frequencies, radiating from the plasma boundary due to nonlinear interaction of the surface waves, have been found. Previous papers on this subject did not take into account that the tangential components of the electric field of waves with combination frequencies were discontinuous at the plasma boundary. (Auth.)

2010 Atomic & Molecular Interactions Gordon Research Conference

Energy Technology Data Exchange (ETDEWEB)

Todd Martinez

2010-07-23

The Atomic and Molecular Interactions Gordon Conferences is justifiably recognized for its broad scope, touching on areas ranging from fundamental gas phase and gas-condensed matter collision dynamics, to laser-molecule interactions, photophysics, and unimolecular decay processes. The meeting has traditionally involved scientists engaged in fundamental research in gas and condensed phases and those who apply these concepts to systems of practical chemical and physical interest. A key tradition in this meeting is the strong mixing of theory and experiment throughout. The program for 2010 conference continues these traditions. At the 2010 AMI GRC, there will be talks in 5 broadly defined and partially overlapping areas of intermolecular interactions and chemical dynamics: (1) Photoionization and Photoelectron Dynamics; (2) Quantum Control and Molecules in Strong Fields; (3) Photochemical Dynamics; (4) Complex Molecules and Condensed Phases; and (5) Clusters and Reaction Dynamics. These areas encompass many of the most productive and exciting areas of chemical physics, including both reactive and nonreactive processes, intermolecular and intramolecular energy transfer, and photodissociation and unimolecular processes. Gas phase dynamics, van der Waals and cluster studies, laser-matter interactions and multiple potential energy surface phenomena will all be discussed.

Surface properties of CNTs and their interaction with silica.

Science.gov (United States)

Sobolkina, Anastasia; Mechtcherine, Viktor; Bellmann, Cornelia; Khavrus, Vyacheslav; Oswald, Steffen; Hampel, Silke; Leonhardt, Albrecht

2014-01-01

In order to improve the embedding of carbon nanotubes (CNTs) in cement-based matrices, silica was deposited on the sidewall of CNTs by a sol-gel method. Knowledge of the conditions of CNTs' surfaces is a key issue in understanding the corresponding interaction mechanisms. In this study various types of CNTs synthesized using acetonitrile, cyclohexane, and methane were investigated with regard to their physicochemical surface properties. Significant differences in surface polarity as well as in the wetting properties of the CNTs, depending on the precursors used, were revealed by combining electro-kinetic potential and contact angle measurements. The hydrophobicity of CNTs decreases by utilising the carbon sources in the following order: cyclohexane, methane, and finally acetonitrile. The XPS analysis, applied to estimate the chemical composition at the CNT surface, showed nitrogen atoms incorporated into the tube structure by using acetonitrile as a carbon source. It was found that the simultaneous presence of nitrogen- and/or oxygen-containing sites with different acid-base properties increased the surface polarity of the CNTs, imparting amphoteric characteristics to them and improving their wetting behaviour. Regarding the silica deposition, strong differences in adsorption capacity of the CNTs were observed. The mechanism of silica adsorption through interfacial bond formation was discussed. Copyright © 2013 Elsevier Inc. All rights reserved.

Some new results on the central overlap problem in astrometry

Science.gov (United States)

Rapaport, M.

1998-07-01

The central overlap problem in astrometry has been revisited in the recent last years by Eichhorn (1988) who explicitly inverted the matrix of a constrained least squares problem. In this paper, the general explicit solution of the unconstrained central overlap problem is given. We also give the explicit solution for an other set of constraints; this result is a confirmation of a conjecture expressed by Eichhorn (1988). We also consider the use of iterative methods to solve the central overlap problem. A surprising result is obtained when the classical Gauss Seidel method is used; the iterations converge immediately to the general solution of the equations; we explain this property writing the central overlap problem in a new set of variables.

Pharmacological Management of Elderly Patients with Asthma-Chronic Obstructive Pulmonary Disease Overlap Syndrome: Room for Speculation?

Science.gov (United States)

Castiglia, Daniela; Battaglia, Salvatore; Benfante, Alida; Sorino, Claudio; Scichilone, Nicola

2016-06-01

Asthma and chronic obstructive pulmonary disease (COPD) are two distinct diseases that share a condition of chronic inflammation of the airways and bronchial obstruction. In clinical settings, it is not rare to come across patients who present with clinical and functional features of both diseases, posing a diagnostic dilemma. The overlap condition has been termed asthma-COPD overlap syndrome (ACOS), and mainly occurs in individuals with long-standing asthma, especially if they are also current or former smokers. Patients with ACOS have poorer health-related quality of life and a higher exacerbation rate than subjects with asthma or COPD alone. Whether ACOS is a distinct nosological entity with genetic variants or rather a condition of concomitant diseases that overlap is still a matter of debate. However, there is no doubt that extended life expectancy has increased the prevalence of asthma and COPD in older ages, and thus the probability that overlap conditions occur in clinical settings. In addition, age-associated changes of the lung create the basis for the two entities to converge on the same subject. ACOS patients may benefit from a stepwise treatment similar to that of asthma and COPD; however, the proposed therapeutic algorithms are only speculative and extrapolated from studies that are not representative of the ACOS population. Inhaled corticosteroids are the mainstay of therapy, and always in conjunction with long-acting bronchodilators. The potential heterogeneity of the overlap syndrome in terms of inflammatory features (T helper-1 vs. T helper-2 pathways) may be responsible for the different responses to treatments. The interaction between respiratory drugs and concomitant diseases should be carefully evaluated. Similarly, the effect of non-respiratory drugs, such as aspirin, statins, and β-blockers, on lung function needs to be properly assessed.

Interaction between Palladium Nanoparticles and Surface-Modified Carbon Nanotubes: Role of Surface Functionalities

DEFF Research Database (Denmark)

Zhang, Bingsen; Shao, Lidong; Zhang, Wei

2014-01-01

degrees C. We focus on probing the effects of oxygen and nitrogen-containing functional groups on supported palladium nanoparticles (NPs) in the model catalytic system. The stability of palladium NPs supported on CNTs depends strongly on the surface properties of CNTs. Moreover, the oxygen...... feature, instability, and subtle response of the components upon application of an external field. Herein, we use insitu TEM, electron energy loss spectroscopy, and X-ray photoelectron spectroscopy techniques to record the interaction in palladium on carbon nanotubes (CNTs) from room temperature to 600...

A Multiscale Nested Modeling Framework to Simulate the Interaction of Surface Gravity Waves with Nonlinear Internal Gravity Waves

Science.gov (United States)

2015-09-30

Interaction of Surface Gravity Waves with Nonlinear Internal Gravity Waves Lian Shen St. Anthony Falls Laboratory and Department of Mechanical...on studying surface gravity wave evolution and spectrum in the presence of surface currents caused by strongly nonlinear internal solitary waves...interaction of surface and internal gravity waves in the South China Sea. We will seek answers to the following questions: 1) How does the wind-wave

The overlap Dirac operator as a continued fraction

International Nuclear Information System (INIS)

Wenger, U.; Deutsches Elektronen-Synchrotron

2004-03-01

We use a continued fraction expansion of the sign-function in order to obtain a five dimensional formulation of the overlap lattice Dirac operator. Within this formulation the inverse of the overlap operator can be calculated by a single Krylov space method and nested conjugate gradient procedures are avoided. We point out that the five dimensional linear system can be made well conditioned using equivalence transformations on the continued fractions. (orig.)

Friending, IMing, and hanging out face-to-face: overlap in adolescents' online and offline social networks.

Science.gov (United States)

Reich, Stephanie M; Subrahmanyam, Kaveri; Espinoza, Guadalupe

2012-03-01

Many new and important developmental issues are encountered during adolescence, which is also a time when Internet use becomes increasingly popular. Studies have shown that adolescents are using these online spaces to address developmental issues, especially needs for intimacy and connection to others. Online communication with its potential for interacting with unknown others, may put teens at increased risk. Two hundred and fifty-one high school students completed an in-person survey, and 126 of these completed an additional online questionnaire about how and why they use the Internet, their activities on social networking sites (e.g., Facebook, MySpace) and their reasons for participation, and how they perceive these online spaces to impact their friendships. To examine the extent of overlap between online and offline friends, participants were asked to list the names of their top interaction partners offline and online (Facebook and instant messaging). Results reveal that adolescents mainly use social networking sites to connect with others, in particular with people known from offline contexts. While adolescents report little monitoring by their parents, there was no evidence that teens are putting themselves at risk by interacting with unknown others. Instead, adolescents seem to use the Internet, especially social networking sites, to connect with known others. While the study found moderate overlap between teens' closest online and offline friends, the patterns suggest that adolescents use online contexts to strengthen offline relationships. PsycINFO Database Record (c) 2012 APA, all rights reserved.

Enhanced optoelastic interaction range in liquid crystals with negative dielectric anisotropy

Energy Technology Data Exchange (ETDEWEB)

Simoni, F.; Lalli, S.; Lucchetti, L. [Dipartimento di Scienze e Ingegneria della Materia, dell' Ambiente ed Urbanistica and CNISM, Università Politecnica delle Marche, Ancona (Italy); Criante, L. [Center for Nano Science and Technology-PoliMi, Istituto Italiano di Tecnologia, Via Giovanni Pascoli, 70/3, 20133 Milano (Italy); Brasselet, E. [Univ. Bordeaux and CNRS, Laboratoire Ondes et Matière d' Aquitaine, UMR 5798, F-33400 Talence (France)

2014-01-06

We demonstrate that the long-range interaction between surface-functionalized microparticles immersed a nematic liquid crystal—a “nematic colloid”—and a laser-induced “ghost colloid” can be enhanced by a low-voltage quasistatic electric field when the nematic mesophase has a negative dielectric anisotropy. The optoelastic trapping distance is shown to be enhanced by a factor up to 2.5 in presence of an electric field. Experimental data are quantitatively described with a theoretical model accounting for the spatial overlap between the orientational distortions around the microparticle and those induced by the trapping light beam itself.

Modeling Groundwater-Surface Water Interaction and Contaminant Transport of Chlorinated Solvent Contaminated Site

Science.gov (United States)

Yimer Ebrahim, Girma; Jonoski, Andreja; van Griensven, Ann; Dujardin, Juliette; Baetelaan, Okke; Bronders, Jan

2010-05-01

Chlorinated-solvent form one of the largest groups of environmental chemicals. Their use and misuse in industry have lead to a large entry of these chemicals into the environment, resulting in widespread dissemination and oftentimes environmental contamination. Chlorinated solvent contamination of groundwater resources has been widely reported. For instance, there has been much interest in the assessment of these contaminant levels and their evolutions with time in the groundwater body below the Vilvoorde-Machelen industrial area (Belgium). The long industrial history of the area has lead to complex patterns of pollution from multiple sources and the site has been polluted to the extent that individual plumes are not definable any more. Understanding of groundwater/surface water interaction is a critical component for determining the fate of contaminant both in streams and ground water due to the fact that groundwater and surface water are in continuous dynamic interaction in the hydrologic cycle. The interaction has practical consequences in the quantity and quality of water in either system in the sense that depletion and/or contamination of one of the system will eventually affect the other one. The transition zone between a stream and its adjacent aquifer referred to as the hyporheic zone plays a critical role in governing contaminant exchange and transformation during water exchange between the two water bodies. The hyporheic zone of Zenne River ( the main receptor ) is further complicated due to the fact that the river banks are artificially trained with sheet piles along its reach extending some 12 m below the surface. This study demonstrates the use of MODFLOW, a widely used modular three-dimensional block-centred finite difference, saturated flow model for simulating the flow and direction of movement of groundwater through aquifer and stream-aquifer interaction and the use of transport model RT3D, a three-dimensional multi-species reactive transport model

Modeling of chromosome intermingling by partially overlapping uniform random polygons.

Science.gov (United States)

Blackstone, T; Scharein, R; Borgo, B; Varela, R; Diao, Y; Arsuaga, J

2011-03-01

During the early phase of the cell cycle the eukaryotic genome is organized into chromosome territories. The geometry of the interface between any two chromosomes remains a matter of debate and may have important functional consequences. The Interchromosomal Network model (introduced by Branco and Pombo) proposes that territories intermingle along their periphery. In order to partially quantify this concept we here investigate the probability that two chromosomes form an unsplittable link. We use the uniform random polygon as a crude model for chromosome territories and we model the interchromosomal network as the common spatial region of two overlapping uniform random polygons. This simple model allows us to derive some rigorous mathematical results as well as to perform computer simulations easily. We find that the probability that one uniform random polygon of length n that partially overlaps a fixed polygon is bounded below by 1 − O(1/√n). We use numerical simulations to estimate the dependence of the linking probability of two uniform random polygons (of lengths n and m, respectively) on the amount of overlapping. The degree of overlapping is parametrized by a parameter [Formula: see text] such that [Formula: see text] indicates no overlapping and [Formula: see text] indicates total overlapping. We propose that this dependence relation may be modeled as f (ε, m, n) = [Formula: see text]. Numerical evidence shows that this model works well when [Formula: see text] is relatively large (ε ≥ 0.5). We then use these results to model the data published by Branco and Pombo and observe that for the amount of overlapping observed experimentally the URPs have a non-zero probability of forming an unsplittable link.

Interaction of K(nd) Rydberg atoms with an amorphous gold surface

International Nuclear Information System (INIS)

Gray, D.F.

1988-01-01

This thesis reports the first controlled study of the interactions of Rydberg atoms with a metal surface. In these experiments, a collimated beam of potassium Rydberg atoms is directed at a plane surface at near grazing incidence. Positive ions formed by surface ionization are attracted to the surface by their image charge, which is counterbalanced by an external electric field applied perpendicular to the surface. The ions are detected by a position-sensitive detector (PSD). At some critical value of the external field, the ion trajectories just miss the surface, suggesting that analysis of the dependence of the ion signals of external electric field can be used to determine the distance from the surface at which ionization occurs. This distance, and thus the corresponding critical electric field, is expected to be n-dependent. Experimentally, however, it was observed that the ion signal had a sudden n-independent onset when only a small positive perpendicular electric field was applied at the surface. This observation requires, surprisingly, that the ions produced by surface ionization can readily escape from the surface. The data do, however, show that Rydberg atoms are efficiently ionized in collisions with the surface. This process may provide a useful new detection technique for Rydberg atoms

Crystal nucleation initiated by transient ion-surface interactions at aerosol interfaces.

Science.gov (United States)

Davis, Ryan D; Tolbert, Margaret A

2017-07-01

Particle collisions are a common occurrence in the atmosphere, but no empirical observations exist to fully predict the potential effects of these collisions on air quality and climate projections. The current consensus of heterogeneous crystal nucleation pathways relevant to the atmosphere dictates that collisions with amorphous particles have no effect on the crystallization relative humidity (RH) of aqueous inorganic aerosols because there is no stabilizing ion-surface interaction to facilitate the formation of crystal nuclei. In contrast to this view of heterogeneous nucleation, we report laboratory observations demonstrating that collisions with hydrophobic amorphous organic aerosols induced crystallization of aqueous inorganic microdroplets at high RH, the effect of which was correlated with destabilizing water-mediated ion-specific surface interactions. These same organic aerosols did not induce crystallization once internally mixed in the droplet, pointing toward a previously unconsidered transient ion-specific crystal nucleation pathway that can promote aerosol crystallization via particle collisions.

Interaction of Droplets Separated by an Elastic Film.

Science.gov (United States)

Liu, Tianshu; Xu, Xuejuan; Nadermann, Nichole; He, Zhenping; Jagota, Anand; Hui, Chung-Yuen

2017-01-10

The Laplace pressure of a droplet placed on one side of an elastic thin film can cause significant deformation in the form of a bulge on its opposite side. Here, we show that this deformation can be detected by other droplets suspended on the opposite side of the film, leading to interaction between droplets separated by the solid (but deformable) film. The interaction is repulsive when the drops have a large overlap and attractive when they have a small overlap. Thus, if two identical droplets are placed right on top of each other (one on either side of the thin film), they tend to repel each other, eventually reaching an equilibrium configuration where there is a small overlap. This observation can be explained by analyzing the energy landscape of the droplets interacting via an elastically deformed film. We further demonstrate this idea by designing a pattern comprising a big central drop with satellite droplets. This phenomenon can lead to techniques for directed motion of droplets confined to one side of a thin elastic membrane by manipulations on the other side.

Interference management with partial uplink/downlink spectrum overlap

KAUST Repository

Randrianantenaina, Itsikiantsoa

2016-07-26

Simultaneous reuse of spectral resources by uplink and downlink, denoted as in-band full duplex (FD) communication, is promoted to double the spectral efficiency when compared to its half-duplex (HD) counterpart. Interference management, however, remains challenging in FD cellular networks, especially when high disparity between uplink and downlink transmission powers exists. The uplink performance can be particularly deteriorated when operating on channels that are simultaneously occupied with downlink transmission. This paper considers a cellular wireless system with partial spectrum overlap between the downlink and uplink. The performance of the system becomes, therefore, a function of the overlap fraction, as well as the power levels of both the uplink and downlink transmissions. The paper considers the problem of maximizing an overall network utility to find the uplink/downlink transmission powers and the spectrum overlap fraction between the uplink and downlink spectrum in each cell, and proposes solving the problem using interior point method. Simulations results confirm the vulnerability of the uplink performance to the FD operation, and show the superiority of the proposed scheme over the FD and HD schemes. The results further show that explicit uplink and downlink performance should be considered for efficient design of cellular networks with overlapping uplink/downlink resources. © 2016 IEEE.

Detection and Evaluation of Pre-Preg Gaps and Overlaps in Glare Laminates

Science.gov (United States)

Nardi, Davide; Abouhamzeh, Morteza; Leonard, Rob; Sinke, Jos

2018-03-01

Gaps and overlaps between pre-preg plies represent common flaws in composite materials that can be introduced easily in an automated fibre placement manufacturing process and are potentially detrimental for the mechanical performances of the final laminates. Whereas gaps and overlaps have been addressed for full composite material, the topic has not been extended to a hybrid composite material such as Glare, a member of the family of Fibre Metal Laminates (FMLs). In this paper/research, the manufacturing, the detection, and the optical evaluation of intraply gaps and overlaps in Glare laminates are investigated. As part of an initial assessment study on the effect of gaps and overlaps on Glare, only the most critical lay-up has been considered. The experimental investigation started with the manufacturing of specimens having gaps and overlaps with different widths, followed by a non-destructive ultrasonic-inspection. An optical evaluation of the gaps and overlaps was performed by means of microscope image analysis of the cross sections of the specimens. The results from the non-destructive evaluations show the effectiveness of the ultrasonic detection of gaps and overlaps both in position, shape, width, and severity. The optical inspections confirm the accuracy of the non-destructive evaluation also adding useful insights about the geometrical features due to the presence of gaps and overlaps in the final Glare laminates. All the results justify the need for a further investigation on the effect of gaps and overlaps on the mechanical properties.

Comparison of Patient Outcomes and Cost of Overlapping Versus Nonoverlapping Spine Surgery.

Science.gov (United States)

Zygourakis, Corinna C; Sizdahkhani, Saman; Keefe, Malla; Lee, Janelle; Chou, Dean; Mummaneni, Praveen V; Ames, Christopher P

2017-04-01

Overlapping surgery recently has gained significant media attention, but there are limited data on its safety and efficacy. To date, there has been no analysis of overlapping surgery in the field of spine. Our goal was to compare overlapping versus nonoverlapping spine surgery patient outcomes and cost. A retrospective review was undertaken of 2319 spine surgeries (n = 848 overlapping; 1471 nonoverlapping) performed by 3 neurosurgery attendings from 2012 to 2015 at the University of California San Francisco. Collected variables included patient age, sex, insurance, American Society of Anesthesiology score, severity of illness, risk of mortality, procedure type, surgeon, day of surgery, source of transfer, admission type, overlapping versus nonoverlapping surgery (≥1 minute of overlapping procedure time), Medicare-Severity Diagnosis-Related Group, osteotomy, and presence of another attending/fellow/resident. Univariate, then multivariate mixed-effect models were used to evaluate the effect of the collected variables on the following outcomes: procedure time, estimated blood loss, length of stay, discharge status, 30-day mortality, 30-day unplanned readmission, unplanned return to OR, and total hospital cost. Urgent spine cases were more likely to be done in an overlapping fashion (all P return to the operating room, estimated blood loss, length of stay, and total hospital cost (all P = ns). Overlapping spine surgery may be performed safely at our institution, although continued monitoring of patient outcomes is necessary. Overlapping surgery does not lead to greater hospital costs. Copyright © 2017 Elsevier Inc. All rights reserved.

The interaction of trace heavy metal with lipid monolayer in the sea surface microlayer.

Science.gov (United States)

Li, Siyang; Du, Lin; Tsona, Narcisse T; Wang, Wenxing

2018-04-01

Lipid molecules and trace heavy metals are enriched in sea surface microlayer and can be transferred into the sea spray aerosol. To better understand their impact on marine aerosol generation and evolution, we investigated the interaction of trace heavy metals including Fe 3+ , Pb 2+ , Zn 2+ , Cu 2+ , Ni 2+ , Cr 3+ , Cd 2+ , and Co 2+ , with dipalmitoylphosphatidylcholine (DPPC) monolayers at the air-water interface. Phase behavior of the DPPC monolayer on heavy metal solutions was probed with surface pressure-area (π-A) isotherms. The conformation order and orientation of DPPC alkyl chains were characterized by infrared reflection-absorption spectroscopy (IRRAS). The π-A isotherms show that Zn 2+ and Fe 3+ strongly interact with DPPC molecules, and induce condensation of the monolayers in a concentration-dependent manner. IRRAS spectra show that the formation of cation-DPPC complex gives rise to conformational changes and immobilization of the headgroups. The current results suggest that the enrichment of Zn 2+ in sea spray aerosols is due to strong binding to the DPPC film. The interaction of Fe 3+ with DPPC monolayers can significantly influence their surface organizations through the formation of lipid-coated particles. These results suggest that the sea surface microlayer is capable of accumulating much higher amounts of these metals than the subsurface water. The organic and metal pollutants may transfer into the atmosphere by this interaction. Copyright © 2017 Elsevier Ltd. All rights reserved.

Interaction of insulin with colloidal ZnS quantum dots functionalized by various surface capping agents.

Science.gov (United States)

Hosseinzadeh, Ghader; Maghari, Ali; Farniya, Seyed Morteza Famil; Keihan, Amir Homayoun; Moosavi-Movahedi, Ali A

2017-08-01

Interaction of quantum dots (QDs) and proteins strongly influenced by the surface characteristics of the QDs at the protein-QD interface. For a precise control of these surface-related interactions, it is necessary to improve our understanding in this field. In this regard, in the present work, the interaction between the insulin and differently functionalized ZnS quantum dots (QDs) were studied. The ZnS QDs were functionalized with various functional groups of hydroxyl (OH), carboxyl (COOH), amine (NH 2 ), and amino acid (COOH and NH 2 ). The effect of surface hydrophobicity was also studied by changing the alkyl-chain lengths of mercaptocarboxylic acid capping agents. The interaction between insulin and the ZnS QDs were investigated by fluorescence quenching, synchronous fluorescence, circular dichroism (CD), and thermal aggregation techniques. The results reveal that among the studied QDs, mercaptosuccinic acid functionalized QDs has the strongest interaction (∆G ° =-51.50kJ/mol at 310K) with insulin, mercaptoethanol functionalized QDs destabilize insulin by increasing the beta-sheet contents, and only cysteine functionalized QDs improves the insulin stability by increasing the alpha-helix contents of the protein, and. Our results also indicate that by increasing the alkyl-chain length of capping agents, due to an increase in hydrophobicity of the QDs surface, the beta-sheet contents of insulin increase which results in the enhancement of insulin instability. Copyright © 2017 Elsevier B.V. All rights reserved.

An interaction analysis of twin surface cracks by the line-spring model

International Nuclear Information System (INIS)

Kim, Y.J.; Yang, W.H.; Choy, Y.S.; Lee, J.S.

1992-01-01

The fracture mechanics analysis of surface cracks is important for the integrity evaluation of flawed structural components. The objective of this paper is to numerically investigate the interaction effect of twin surface cracks in plate and cylindrical geometrie. First the usefulness of the line-spring model is verified by analyzing a single surface crack in a plate, and then the model is extended to twin surface crack in plate and cylindrical geometries. For the case of a finite plate under uniaxial loading, the effect of crack spacing on the stress intensity factor is negligible. However, for the case of a cylinder under moderate internal pressure, a significant increase in stress intensity factor is observed at the deepest point of the surface crack. (orig.)

The interaction of bacteria and metal surfaces

International Nuclear Information System (INIS)

Mansfeld, Florian

2007-01-01

This review discusses different examples for the interaction of bacteria and metal surfaces based on work reported previously by various authors and work performed by the author with colleagues at other institutions and with his graduate students at CEEL. Traditionally it has been assumed that the interaction of bacteria with metal surfaces always causes increased corrosion rates ('microbiologically influenced corrosion' (MIC)). However, more recently it has been observed that many bacteria can reduce corrosion rates of different metals and alloys in many corrosive environments. For example, it has been found that certain strains of Shewanella can prevent pitting of Al 2024 in artificial seawater, tarnishing of brass and rusting of mild steel. It has been observed that corrosion started again when the biofilm was killed by adding antibiotics. The mechanism of corrosion protection seems to be different for different bacteria since it has been found that the corrosion potential E corr became more negative in the presence of Shewanella ana and algae, but more positive in the presence of Bacillus subtilis. These findings have been used in an initial study of the bacterial battery in which Shewanella oneidensis MR-1 was added to a cell containing Al 2024 and Cu in a growth medium. It was found that the power output of this cell continuously increased with time. In the microbial fuel cell (MFC) bacteria oxidize the fuel and transfer electrons directly to the anode. In initial studies EIS has been used to characterize the anode, cathode and membrane properties for different operating conditions of a MFC that contained Shewanella oneidensis MR-1. Cell voltage (V)-current density (i) curves were obtained using potentiodynamic sweeps. The current output of a MFC has been monitored for different experimental conditions

The interaction of bacteria and metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Mansfeld, Florian [Corrosion and Environmental Effects Laboratory (CEEL), The Mork Family Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, CA 90089-0241 (United States)

2007-10-10

This review discusses different examples for the interaction of bacteria and metal surfaces based on work reported previously by various authors and work performed by the author with colleagues at other institutions and with his graduate students at CEEL. Traditionally it has been assumed that the interaction of bacteria with metal surfaces always causes increased corrosion rates ('microbiologically influenced corrosion' (MIC)). However, more recently it has been observed that many bacteria can reduce corrosion rates of different metals and alloys in many corrosive environments. For example, it has been found that certain strains of Shewanella can prevent pitting of Al 2024 in artificial seawater, tarnishing of brass and rusting of mild steel. It has been observed that corrosion started again when the biofilm was killed by adding antibiotics. The mechanism of corrosion protection seems to be different for different bacteria since it has been found that the corrosion potential E{sub corr} became more negative in the presence of Shewanella ana and algae, but more positive in the presence of Bacillus subtilis. These findings have been used in an initial study of the bacterial battery in which Shewanella oneidensis MR-1 was added to a cell containing Al 2024 and Cu in a growth medium. It was found that the power output of this cell continuously increased with time. In the microbial fuel cell (MFC) bacteria oxidize the fuel and transfer electrons directly to the anode. In initial studies EIS has been used to characterize the anode, cathode and membrane properties for different operating conditions of a MFC that contained Shewanella oneidensis MR-1. Cell voltage (V) - current density (i) curves were obtained using potentiodynamic sweeps. The current output of a MFC has been monitored for different experimental conditions. (author)

Comparison of molecular dynamics and kinetic modeling of gas-surface interactions

NARCIS (Netherlands)

Frezzotti, A.; Gaastra - Nedea, S.V.; Markvoort, A.J.; Spijker, P.; Gibelli, L.

2008-01-01

The interaction of a dilute monatomic gas with a solid surface is studied byMolecular Dynamics (MD) simulations and by numerical solutions of a recently proposed kinetic model. Following previous investigations, the heat transport between parallel walls and Couette flow have been adopted as test

Spectral asymptotics of a strong delta ' interaction supported by a surface

Czech Academy of Sciences Publication Activity Database

Exner, Pavel; Jex, M.

2014-01-01

Roč. 378, 30-31 (2014), s. 2091-2095 ISSN 0375-9601 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : delta ' surface interaction * strong coupling expansion Subject RIV: BE - Theoretical Physics Impact factor: 1.683, year: 2014

Overlapping positive and negative regulatory domains of the human β-interferon gene

International Nuclear Information System (INIS)

Goodbourn, S.; Maniatis, T.

1988-01-01

Virus of poly(I) x poly(C) induction of human β-interferon gene expression requires a 40-base-pair DNA sequence designated the interferon gene regulatory element (IRE). Previous studies have shown that the IRE contains both positive and negative regulatory DNA sequences. To localize these sequences and study their interactions, the authors have examined the effects of a large number of single-base mutations within the IRE on β-interferon gene regulation. They find that the IRE consists of two genetically separable positive regulatory domains and an overlapping negative control sequence. They propose that the β-interferon gene is switched off in uninduced cells by a repressor that blocks the interaction between one of the two positive regulatory sequences and a specific transcription factor. Induction would then lead to inactivation or displacement of the repressor and binding of transcription factors to both positive regulatory domains

Effect of interaction of embedded crack and free surface on remaining fatigue life

Directory of Open Access Journals (Sweden)

Genshichiro Katsumata

2016-12-01

Full Text Available Embedded crack located near free surface of a component interacts with the free surface. When the distance between the free surface and the embedded crack is short, stress at the crack tip ligament is higher than that at the other area of the cracked section. It can be easily expected that fatigue crack growth is fast, when the embedded crack locates near the free surface. To avoid catastrophic failures caused by fast fatigue crack growth at the crack tip ligament, fitness-for-service (FFS codes provide crack-to-surface proximity rules. The proximity rules are used to determine whether the cracks should be treated as embedded cracks as-is, or transformed to surface cracks. Although the concepts of the proximity rules are the same, the specific criteria and the rules to transform embedded cracks into surface cracks differ amongst FFS codes. This paper focuses on the interaction between an embedded crack and a free surface of a component as well as on its effects on the remaining fatigue lives of embedded cracks using the proximity rules provided by the FFS codes. It is shown that the remaining fatigue lives for the embedded cracks strongly depend on the crack aspect ratio and location from the component free surface. In addition, it can be said that the proximity criteria defined by the API and RSE-M codes give overly conservative remaining lives. On the contrary, the WES and AME codes always give long remaining lives and non-conservative estimations. When the crack aspect ratio is small, ASME code gives non-conservative estimation.

Treatment of Oral Mucosal Lesions Associated With Overlapping Psychodermatologic Disorders.

Science.gov (United States)

Alfaris, Sausan; France, Katherine; Sollecito, Thomas P; Stoopler, Eric T

2018-04-01

Delusional infestations are psychodermatologic disorders in which those affected have a false belief they are infested by parasites and/or "growing" inanimate objects from cutaneous surfaces. Individuals with delusional parasitosis (DP) believe parasites, bacteria, worms, mites, or other living organisms are the source of cutaneous symptoms, while those with Morgellons disease (MD) attribute their symptoms to growth of small fibers or inorganic material. In both DP and MD, self-inflicted, non-healing cutaneous lesions caused by scratching at the affected areas to alleviate symptoms are commonly observed. This report describes a case of oral mucosal lesions in a patient demonstrating overlapping symptoms of DP and MD. It is important for oral healthcare providers to recognize oral signs and symptoms that may be associated with psychodermatologic disorders.

Study of the modes of adsorption and electronic structure of hydrogen peroxide and ethanol over TiO2 rutile (110) surface within the context of water splitting

Science.gov (United States)

Alghamdi, H.; Idriss, H.

2018-03-01

While photocatalytic water splitting over many materials is favourable thermodynamically the kinetic of the reaction is very slow. One of the proposed reasons linked to the slow oxidation reaction rate is H2O2 formation as a reaction intermediate. Using Density Functional Theory (DFT) H2O2 is investigated on TiO2 rutile (110) surface to determine its most stable adsorption modes: molecular, (H)O(H)O - (a), partially dissociated, (H)OO - (a), and fully dissociated (a) - OO - (a). We then compare H2O2 interaction to that of a fast hole scavenger molecule, ethanol. Geometry, electronic structure, charge density difference and work function determination of both adsorbates are presented and compared using DFT with different functionals (PBE, PBE-D, PBE-U, and HSE + D). H2O2 is found to be strongly adsorbed on TiO2 rutile (110) surface with adsorption energies reaching 0.95 eV, comparable to that of ethanol (0.89 eV); using GGA PBE. The negative changes in the work function upon adsorption were found to be highest for molecular adsorption ( - 1.23 eV) and lowest for the fully dissociated mode ( - 0.54 eV) of H2O2. This may indicate that electrons flow from the surface to the adsorbate in order to make O(s)-H partially offset the overall magnitude of the oxygen lone pair interaction (of H2O2) with Ti4+ cations. Examination of the electronic structure through density of states (DOS) at the PBE level of computation, indicates that the H2O2 highest occupied molecular orbital (HOMO) level is not overlapping with oxygen atoms of TiO2 surface at any of its adsorption modes and at any of the computation methods. Some overlap is seen using the HSE + D computational method. On the other hand the dissociated mode of ethanol (ethoxides) does overlap with all computational methods used. The high adsorption energy and the absence of overlapping of the HOMO level of H2O2 with TiO2 rutile (110) surface may explain why water splitting is slow.

Headaches and myofascial temporomandibular disorders: overlapping entities, separate managements?

Science.gov (United States)

Conti, P C R; Costa, Y M; Gonçalves, D A; Svensson, P

2016-09-01

There are relevant clinical overlaps between some of the painful temporomandibular disorders (TMD) and headache conditions that may hamper the diagnostic process and treatment. A non-systematic search for studies on the relationship between TMD and headaches was carried out in the following databases: PubMed, Cochrane Library and Embase. Important pain mechanisms contributing to the close association and complex relationship between TMD and headache disorders are as follows: processes of peripheral and central sensitisation which take place in similar anatomical areas, the possible impairment of the descending modulatory pain pathways and the processes of referred pain. In addition, the clinical examination does not always provide distinguishing information to differentiate between headaches and TMD. So, considering the pathophysiology and the clinical presentation of some types of headache and myofascial TMD, such overlap can be considered not only a matter of comorbid relationship, but rather a question of disorders where the distinction lines are sometimes hard to identify. These concerns are certainly reflected in the current classification systems of both TMD and headache where the clinical consequences of diagnosis such as headache attributed to or associated with TMD are uncertain. There are several similarities in terms of therapeutic strategies used to manage myofascial TMD and headaches. Considering all these possible levels of interaction, we reinforce the recommendation for multidisciplinary approaches, by a team of oro-facial pain specialists and a neurologist (headache specialist), to attain the most precise differential diagnosis and initiate the best and most efficient treatment. © 2016 John Wiley & Sons Ltd.

Powerful effective one-electron Hamiltonian for describing many-atom interacting systems

International Nuclear Information System (INIS)

Lugo, J.O.; Vergara, L.I.; Bolcatto, P.G.; Goldberg, E.C.

2002-01-01

In this paper, we present an alternative way to build the effective one-electron picture of a many-atom interacting system. By simplifying the many-body general problem we present two different options for the bond-pair model Hamiltonian. We have found that the successive approximations in order to achieve the effective description have a dramatic influence on the result. Thus, only the model that introduces the correct renormalization in the diagonal term due to the overlap is able to reproduce, even in a quantitative fashion, the main properties of simple homonuclear diatomic molecules. The success of the model resides in the accurate definitions (free of parametrization) of the Hamiltonian terms, which, therefore, could be used to describe more complex interacting systems such as polyatomic molecules, adsorbed species, or atoms scattered by a surface

Optodynamics: dynamic aspects of laser beam-surface interaction

International Nuclear Information System (INIS)

Možina, J; Diaci, J

2012-01-01

This paper presents a synthesis of the results of our original research in the area of laser-material interaction and pulsed laser material processing with a special emphasis on the dynamic aspects of laser beam-surface interaction, which include the links between the laser material removal and the resulting material motion. In view of laser material processing, a laser beam is not only considered as a tool but also as a generator of information about the material transformation. The information is retained and conveyed by different kinds of optically induced mechanical waves. Several generation/detection schemes have been developed to extract this information, especially in the field of non-destructive material evaluation. Blast and acoustic waves, which propagate in the air surrounding the work-piece, have been studied using microphone detection as well as various setups of the laser beam deflection probe. Stress waves propagating through the work-piece have been studied using piezoelectric transducers and laser interferometers.

Imaging molecular interaction of NO on Cu(110) with a scanning tunneling microscope.

Science.gov (United States)

Okuyama, Hiroshi

2014-10-01

Molecular interaction on metal surfaces is one of the central issues of surface science for the microscopic understanding of heterogeneous catalysis. In this Personal Account, I review the recent studies on NO/Cu(110) employing a scanning tunneling microscope (STM) to probe and control the molecule-molecule interaction on the surface. An individual NO molecule was observed as a characteristic dumbbell-shaped protrusion, visualizing the 2π* orbital. By manipulating the intermolecular distance with the STM, the overlap of the 2π* orbital between two NO molecules was controlled. The interaction causes the formation of the bonding and antibonding orbitals below and above the Fermi level, respectively, as a function of the intermolecular distance. The 2π* orbital also plays a role in the reaction of NO with water molecules. A water molecule donates a H-bond to NO, giving rise to the down-shift of the 2π* level below the Fermi level. This causes electron transfer from the substrate to NO, weakening, and eventually rupturing, the N-O bond. The facile bond cleavage by water molecules has implications for the catalytic reduction of NO under ambient conditions. Copyright © 2014 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Volume and overlap effects in the hyperfine interactions on the 57Fe2+ in quasi-ionics iron compounds

International Nuclear Information System (INIS)

Costa Junior, M.I. da.

1976-01-01

Several nearly ionic ferrous compounds for which one expects charge transfer to be negligible, are studied. A cluster model in which the multi centered wave function is described in terms of overlap only, is assumed. A definite correlation between the total Fe 3d overlap with the ligand orbitals and delta is found, but no such correlation for ΔE sub(Q). The former result indicates that 3d-3s shielding may be important in these cases while the latter result leads to the belief that ΔE sub(Q) may not be completely described by a cluster model. 57 Fe Moessbauer effect measurements are made in Fe substituted carbonates (M sub(1-x) Fe sub(x))CO 3 , to help clarify these results, with M = Ca, Cd, Co, Fe, Mn, Zn, Mg; all of which are isostructural. An analysis of the data show that in this case (and that of the Fe substituted fluorides) the trends observed can be correlated to a volume effect due to the different site sizes for the Fe 2+ ion. It is shown that in the case of the fluorides, the effects are identical with pressure induced effects if local distortions are taken into account [pt

Location of frame overlap choppers on pulsed source instruments

International Nuclear Information System (INIS)

Narehood, D.G.; Pearce, J.V.; Sokol, P.E.

2002-01-01

A detailed study has been performed to investigate the effect of frame overlap in a cold neutron chopper spectrometer. The basic spectrometer is defined by two high-speed choppers, one near the moderator to shape the pulse from the moderator, and one near the sample to define energy resolution. Using ray-tracing timing diagrams, we have observed that there are regions along the guide where the trajectories of neutrons with different velocities converge temporally at characteristic points along the spectrometer. At these points of convergence, a frame overlap chopper would be totally ineffective, allowing neutrons of all velocities to pass through. Conversely, at points where trajectories of different velocity neutrons are divergent, a frame overlap chopper is most effective. An analytical model to describe this behaviour has been developed, and leads us to the counterintuitive conclusion that the optimum position for a frame overlap chopper is as close to the initial chopper as possible. We further demonstrate that detailed Monte Carlo simulations produce results which are consistent with this model

Segmenting overlapping nano-objects in atomic force microscopy image

Science.gov (United States)

Wang, Qian; Han, Yuexing; Li, Qing; Wang, Bing; Konagaya, Akihiko

2018-01-01

Recently, techniques for nanoparticles have rapidly been developed for various fields, such as material science, medical, and biology. In particular, methods of image processing have widely been used to automatically analyze nanoparticles. A technique to automatically segment overlapping nanoparticles with image processing and machine learning is proposed. Here, two tasks are necessary: elimination of image noises and action of the overlapping shapes. For the first task, mean square error and the seed fill algorithm are adopted to remove noises and improve the quality of the original image. For the second task, four steps are needed to segment the overlapping nanoparticles. First, possibility split lines are obtained by connecting the high curvature pixels on the contours. Second, the candidate split lines are classified with a machine learning algorithm. Third, the overlapping regions are detected with the method of density-based spatial clustering of applications with noise (DBSCAN). Finally, the best split lines are selected with a constrained minimum value. We give some experimental examples and compare our technique with two other methods. The results can show the effectiveness of the proposed technique.

Of overlapping Cantor sets and earthquakes: analysis of the discrete Chakrabarti-Stinchcombe model

Science.gov (United States)

Bhattacharyya, Pratip

2005-03-01

We report an exact analysis of a discrete form of the Chakrabarti-Stinchcombe model for earthquakes (Physica A 270 (1999) 27), which considers a pair of dynamically overlapping finite generations of the Cantor set as a prototype of geological faults. In this model the nth generation of the Cantor set shifts on its replica in discrete steps of the length of a line segment in that generation and periodic boundary conditions are assumed. We determine the general form of time sequences for the constant magnitude overlaps and, hence, obtain the complete time-series of overlaps by the superposition of these sequences for all overlap magnitudes. From the time-series we derive the exact frequency distribution of the overlap magnitudes. The corresponding probability distribution of the logarithm of overlap magnitudes for the nth generation is found to assume the form of the binomial distribution for n Bernoulli trials with probability {1}/{3} for the success of each trial. For an arbitrary pair of consecutive overlaps in the time-series where the magnitude of the earlier overlap is known, we find that the magnitude of the later overlap can be determined with a definite probability; the conditional probability for each possible magnitude of the later overlap follows the binomial distribution for k Bernoulli trials with probability {1}/{2} for the success of each trial and the number k is determined by the magnitude of the earlier overlap. Although this model does not produce the Gutenberg-Richter law for earthquakes, our results indicate that the fractal structure of faults admits a probabilistic prediction of earthquake magnitudes.

Overlapping communities detection based on spectral analysis of line graphs

Science.gov (United States)

Gui, Chun; Zhang, Ruisheng; Hu, Rongjing; Huang, Guoming; Wei, Jiaxuan

2018-05-01

Community in networks are often overlapping where one vertex belongs to several clusters. Meanwhile, many networks show hierarchical structure such that community is recursively grouped into hierarchical organization. In order to obtain overlapping communities from a global hierarchy of vertices, a new algorithm (named SAoLG) is proposed to build the hierarchical organization along with detecting the overlap of community structure. SAoLG applies the spectral analysis into line graphs to unify the overlap and hierarchical structure of the communities. In order to avoid the limitation of absolute distance such as Euclidean distance, SAoLG employs Angular distance to compute the similarity between vertices. Furthermore, we make a micro-improvement partition density to evaluate the quality of community structure and use it to obtain the more reasonable and sensible community numbers. The proposed SAoLG algorithm achieves a balance between overlap and hierarchy by applying spectral analysis to edge community detection. The experimental results on one standard network and six real-world networks show that the SAoLG algorithm achieves higher modularity and reasonable community number values than those generated by Ahn's algorithm, the classical CPM and GN ones.

On the interpretation of wave function overlaps in quantum dots

DEFF Research Database (Denmark)

Stobbe, Søren; Hvam, Jørn Märcher; Lodahl, Peter

2011-01-01

The spontaneous emission rate of excitons strongly confined in quantum dots (QDs) is proportional to the overlap integral of electron and hole envelope wave functions. A common and intuitive interpretation of this result is that the spontaneous emission rate is proportional to the probability...... that the electron and the hole are located at the same point or region in space, i.e., they must coincide spatially to recombine. Here, we show that this interpretation is not correct even loosely speaking. By general mathematical considerations we compare the envelope wave function overlap, the exchange overlap...... integral, and the probability of electrons and holes coinciding, and find that the frequency dependence of the envelope wave function overlap integral is very different from that expected from the common interpretation. We show that these theoretical considerations lead to predictions for measurements. We...

Same-strand overlapping genes in bacteria: compositional determinants of phase bias

Directory of Open Access Journals (Sweden)

Landan Giddy

2008-08-01

Full Text Available Abstract Background Same-strand overlapping genes may occur in frameshifts of one (phase 1 or two nucleotides (phase 2. In previous studies of bacterial genomes, long phase-1 overlaps were found to be more numerous than long phase-2 overlaps. This bias was explained by either genomic location or an unspecified selection advantage. Models that focused on the ability of the two genes to evolve independently did not predict this phase bias. Here, we propose that a purely compositional model explains the phase bias in a more parsimonious manner. Same-strand overlapping genes may arise through either a mutation at the termination codon of the upstream gene or a mutation at the initiation codon of the downstream gene. We hypothesized that given these two scenarios, the frequencies of initiation and termination codons in the two phases may determine the number for overlapping genes. Results We examined the frequencies of initiation- and termination-codons in the two phases, and found that termination codons do not significantly differ between the two phases, whereas initiation codons are more abundant in phase 1. We found that the primary factors explaining the phase inequality are the frequencies of amino acids whose codons may combine to form start codons in the two phases. We show that the frequencies of start codons in each of the two phases, and, hence, the potential for the creation of overlapping genes, are determined by a universal amino-acid frequency and species-specific codon usage, leading to a correlation between long phase-1 overlaps and genomic GC content. Conclusion Our model explains the phase bias in same-strand overlapping genes by compositional factors without invoking selection. Therefore, it can be used as a null model of neutral evolution to test selection hypotheses concerning the evolution of overlapping genes. Reviewers This article was reviewed by Bill Martin, Itai Yanai, and Mikhail Gelfand.

First-principles study of the interactions of hydrogen with low-index surfaces of PdCu ordered alloy

Institute of Scientific and Technical Information of China (English)

Min Tang; Hengbo Li; Wentao Yuan; Shihui Zou; Chenghua Sun; Yong Wang

2017-01-01

PdCu catalysts play a key role in several hydrogen-involved processes. Among these reactions, the interaction of hydrogen with PdCu essentially determines the catalytic performance. However, the response of PdCu to surrounding hydrogen has been poorly investigated, especially for specific facets of PdCu at different environment.In this work, taking temperature and hydrogen pressure into account, we studied the hydrogen-surface interactions for four low-index surfaces of PdCu through first-principles calculations. It was found that H-PdCu adsorption strong relies on the facets, hydrogen coverage, and reaction environment (temperature and H-pressure).Our work highlights the importance of the environment on the nature of catalyst surfaces and reactions and offers a plausible way to investigate the interactions between gas and the surfaces of nanocatalysts in real reactions.

Overlapping bio-absorbable scaffolds: Aim for D2D technique?

Science.gov (United States)

Khan, Asaad A; Dangas, George D

2018-06-01

The results of overlapping metallic stents have been concerning but this practice is often unavoidable in the setting of long or tortuous lesions, diameter discrepancy of proximal and distal vessel, and for residual dissections. Theoretically, bio-absorbable scaffolds may carry an advantage over metallic stents due to the progressive resorption of the scaffold theoretically rendering the overlap a non-issue; this has not been clinically evident. Since stent/scaffold overlap cannot be entirely avoided, improved stent delivery/deployment and scaffold design modification may reduce complications in this complex patient subset. © 2018 Wiley Periodicals, Inc.

The surface interactions of a near-neutral carbon nanoparticle tracer with calcite

KAUST Repository

Li, Yan Vivian; Cathles, Lawrence M.

2016-01-01

A new class of nearly charge-neutral carbon-cored nanoparticle tracers are remarkably non-interactive with solid surfaces and could provide a valuable baseline for diverse hydrological and environmental studies of subsurface flow and particle

GeneAnalytics Pathway Analysis and Genetic Overlap among Autism Spectrum Disorder, Bipolar Disorder and Schizophrenia

Directory of Open Access Journals (Sweden)

Naveen S. Khanzada

2017-02-01

Full Text Available Bipolar disorder (BPD and schizophrenia (SCH show similar neuropsychiatric behavioral disturbances, including impaired social interaction and communication, seen in autism spectrum disorder (ASD with multiple overlapping genetic and environmental influences implicated in risk and course of illness. GeneAnalytics software was used for pathway analysis and genetic profiling to characterize common susceptibility genes obtained from published lists for ASD (792 genes, BPD (290 genes and SCH (560 genes. Rank scores were derived from the number and nature of overlapping genes, gene-disease association, tissue specificity and gene functions subdivided into categories (e.g., diseases, tissues or functional pathways. Twenty-three genes were common to all three disorders and mapped to nine biological Superpathways including Circadian entrainment (10 genes, score = 37.0, Amphetamine addiction (five genes, score = 24.2, and Sudden infant death syndrome (six genes, score = 24.1. Brain tissues included the medulla oblongata (11 genes, score = 2.1, thalamus (10 genes, score = 2.0 and hypothalamus (nine genes, score = 2.0 with six common genes (BDNF, DRD2, CHRNA7, HTR2A, SLC6A3, and TPH2. Overlapping genes impacted dopamine and serotonin homeostasis and signal transduction pathways, impacting mood, behavior and physical activity level. Converging effects on pathways governing circadian rhythms support a core etiological relationship between neuropsychiatric illnesses and sleep disruption with hypoxia and central brain stem dysfunction.

Seasonal Influences on Ground-Surface Water Interactions in an Arsenic-Affected Aquifer in Cambodia

Science.gov (United States)

Richards, L. A.; Magnone, D.; Van Dongen, B.; Bryant, C.; Boyce, A.; Ballentine, C. J.; Polya, D. A.

2015-12-01

Millions of people in South and Southeast Asia consume drinking water daily which contains dangerous levels of arsenic exceeding health-based recommendations [1]. A key control on arsenic mobilization in aquifers in these areas has been controversially identified as the interaction of 'labile' organic matter contained in surface waters with groundwaters and sediments at depth [2-4], which may trigger the release of arsenic from the solid- to aqueous-phase via reductive dissolution of iron-(hyr)oxide minerals [5]. In a field site in Kandal Province, Cambodia, which is an arsenic-affected area typical to others in the region, there are strong seasonal patterns in groundwater flow direction, which are closely related to monsoonal rains [6] and may contribute to arsenic release in this aquifer. The aim of this study is to explore the implications of the high susceptibility of this aquifer system to seasonal changes on potential ground-surface water interactions. The main objectives are to (i) identify key zones where there are likely ground-surface water interactions, (ii) assess the seasonal impact of such interactions and (iii) quantify the influence of interactions using geochemical parameters (such as As, Fe, NO3, NH4, 14C, 3T/3He, δ18O, δ2H). Identifying the zones, magnitude and seasonal influence of ground-surface water interactions elucidates new information regarding potential locations/pathways of arsenic mobilization and/or transport in affected aquifers and may be important for water management strategies in affected areas. This research is supported by NERC (NE/J023833/1) to DP, BvD and CJB and a NERC PhD studentship (NE/L501591/1) to DM. References: [1] World Health Organization, 2008. [2] Charlet & Polya (2006), Elements, 2, 91-96. [3] Harvey et al. (2002), Science, 298, 1602-1606. [4] Lawson et al. (2013), Env. Sci. Technol. 47, 7085 - 7094. [5] Islam et al. (2004), Nature, 430, 68-71. [6] Benner et al. (2008) Appl. Geochem. 23(11), 3072 - 3087.

Electron emission induced by resonant coherent ion-surface interaction at grazing incidence

International Nuclear Information System (INIS)

Garcia de Abajo, F.J.; Ponce, V.H.; Echenique, P.M.

1992-01-01

A new spectroscopy based on the resonant coherently induced electron loss to the continuum in ion-surface scattering under grazing incidence is proposed. A series of peaks, corresponding to the energy differences determined by the resonant interaction with the rows of atoms in the surface, is predicted to appear in the energy distribution of electrons emitted from electronic states bound to the probe. Calculations for MeV He + ions scattered at a W(001) surface along the left-angle 100 right-angle direction with a glancing angle of 0--2 mrad show a total yield close to 1

Reconstruction of the Tip-Surface Interaction Potential by Analysis of the Brownian Motion of an Atomic Force Microscope Tip

NARCIS (Netherlands)

Willemsen, O.H.; Kuipers, L.; van der Werf, Kees; de Grooth, B.G.; Greve, Jan

2000-01-01

The thermal movement of an atomic force microscope (AFM) tip is used to reconstruct the tip-surface interaction potential. If a tip is brought into the vicinity of a surface, its movement is governed by the sum of the harmonic cantilever potential and the tip-surface interaction potential. By

The overlap between cyberbullying and traditional bullying.

Science.gov (United States)

Waasdorp, Tracy E; Bradshaw, Catherine P

2015-05-01

Cyberbullying appears to be on the rise among adolescents due in part to increased access to electronic devices and less online supervision. Less is known about how cyberbullying differs from traditional bullying which occurs in person and the extent to which these two forms overlap. Our first aim was to examine the overlap of traditional bullying (relational, verbal, and physical) with cyberbullying. The second aim examined student- and school-level correlates of cyber victimization as compared to traditional victims. The final aim explored details of the cyberbullying experience (e.g., who sent the message, how was the message sent, and what was the message about). Data came from 28,104 adolescents (grades, 9-12) attending 58 high schools. Approximately 23% of the youth reported being victims of any form of bullying (cyber, relational, physical, and verbal) within the last month, with 25.6% of those victims reporting being cyberbullied. The largest proportion (50.3%) of victims reported they were victimized by all four forms, whereas only 4.6% reported being only cyberbullied. Multilevel analyses indicated that as compared to those who were only traditionally bullied, those who were cyberbullied were more likely to have externalizing (odds ratio = 1.44) and internalizing symptoms (odds ratio = 1.25). Additional analyses examined detailed characteristics of the cyberbullying experiences, indicating a relatively high level of overlap between cyber and traditional bullying. Implications for preventive interventions targeting youth involved with cyberbullying and its overlap with other forms of bullying are discussed. Copyright © 2015 Society for Adolescent Health and Medicine. Published by Elsevier Inc. All rights reserved.

Tip-surface interactions at redox responsive poly(ferrocenylsilane) (PFS) interface by AFM-based force spectroscopy

International Nuclear Information System (INIS)

Chung Hongjing; Song Jing; Vancso, G. Julius

2009-01-01

Poly(ferrocenylsilanes) (PFS) belong to the class of redox responsive organometallic polymers. Atomic force microscopy (AFM)-based single molecule force spectroscopy (SMFS) was used earlier to study single chain PFS response and redox energy driven single chain PFS molecular motors. Here we present further AFM investigations of force interactions between tip and a grafted PFS surface under potential control in electrochemical redox cycles. Typical tip-Au interaction is considered as reference in the force measurements. First the electrostatic component in the diffused double layer (DL) in NaClO 4 electrolyte environment was considered for a 'grafted to' PFS, which dominated the interplay between the tip and sample surface. The DL forces can also hinder the physisorption of PFS chain onto the tip when the voltage was applied at -0.1 V. On the other hand, if the tip contacted the PFS surface prior to the electrochemical process, physisorption of PFS chains governed the overall interaction regardless of subsequently applied surface potential. In addition, prolonged contact time, t c , may also contribute to the stability of tip-PFS bridging and detection of electrostatic forces between the tip-PFS interface. The results showed that tip-substrate interaction forces without PFS grafts have negligibly small force contributions under similar, electrochemically controlled, conditions used in single PFS chain based molecular motors.

Enhanced printability of thermoplastic polyurethane substrates by silica particles surface interactions

Energy Technology Data Exchange (ETDEWEB)

Cruz, S., E-mail: s.cruz@dep.uminho.pt [IPC/I3N – Institute of Polymers and Composites/Inst. of Nanostructures, Nanomodelling and Nanofabrication, Department Polymer Engineering, University of Minho, 4804-533 Guimarães (Portugal); Rocha, L.A. [CMEMS, University of Minho, 4804-533 Guimarães (Portugal); Viana, J.C. [IPC/I3N – Institute of Polymers and Composites/Inst. of Nanostructures, Nanomodelling and Nanofabrication, Department Polymer Engineering, University of Minho, 4804-533 Guimarães (Portugal)

2016-01-01

Graphical abstract: - Highlights: • A new method development for surface treatment of thermoplastic polyurethane (TPU) substrates. • The proposed method increases TPU surface energy (by 45%) and consequently the TPU wettability. • Great increase of the TPU surface roughness (by 621%). • Inkjet printed conductive ink was applied to the surface treated TPU substrate and significant improvements on the printability were obtained. - Abstract: A new method developed for the surface treatment of thermoplastic polymer substrates that increases their surface energies is introduced in this paper. The method is environmental friendly and low cost. In the proposed surface treatment method, nanoparticles are spread over the thermoplastic polyurethane (TPU) flexible substrate surface and then thermally fixed. This latter step allows the nanoparticles sinking-in on the polymer surface, resulting in a higher polymer–particle interaction at their interfacial region. The addition of nanoparticles onto the polymer surface increases surface roughness. The extent of the nanoparticles dispersion and sink-in in the substrate was evaluated through microscopy analysis (SEM). The roughness of the surface treated polymeric substrate was evaluated by AFM analysis. Substrate critical surface tension (ST) was measured by contact angle. In general, a homogeneous roughness form is achieved to a certain level. Great increase of the TPU surface roughness (by 621%) was induced by the propose method. The proposed surface treatment method increased significantly the substrate ST (by 45%) and consequently the TPU wettability. This novel surface treatment of thermoplastic polymers was applied to the inkjet printing of TPU substrates with conductive inks, and significant improvements on the printability were obtained.

Interaction of surface water and groundwater in the Nile River basin: isotopic and piezometric evidence

Science.gov (United States)

Kebede, Seifu; Abdalla, Osman; Sefelnasr, Ahmed; Tindimugaya, Callist; Mustafa, Osman

2017-05-01

Past discussions around water-resources management and development in the River Nile basin disregard groundwater resources from the equation. There is an increasing interest around factoring the groundwater resources as an integral part of the Nile Basin water resources. This is hampered by knowledge gap regarding the groundwater resources dynamics (recharge, storage, flow, quality, surface-water/groundwater interaction) at basin scale. This report provides a comprehensive analysis of the state of surface-water/groundwater interaction from the headwater to the Nile Delta region. Piezometric and isotopic (δ18O, δ2H) evidence reveal that the Nile changes from a gaining stream in the headwater regions to mostly a loosing stream in the arid lowlands of Sudan and Egypt. Specific zones of Nile water leakage to the adjacent aquifers is mapped using the two sources of evidence. Up to 50% of the surface-water flow in the equatorial region of the Nile comes from groundwater as base flow. The evidence also shows that the natural direction and rate of surface-water/groundwater interaction is largely perturbed by human activities (diversion, dam construction) particularly downstream of the Aswan High Dam in Egypt. The decrease in discharge of the Nile River along its course is attributed to leakage to the aquifers as well as to evaporative water loss from the river channel. The surface-water/groundwater interaction occurring along the Nile River and its sensitivity to infrastructure development calls for management strategies that account groundwater as an integral part of the Nile Basin resources.

Interfacial Interaction in Anodic Aluminum Oxide Templates Modifies Morphology, Surface Area, and Crystallization of Polyamide-6 Nanofibers.

Science.gov (United States)

Xue, Junhui; Xu, Yizhuang; Jin, Zhaoxia

2016-03-08

Here, we demonstrated that, when the precipitation process of polyamide-6 (PA6) solution happens in cylindrical channels of an anodized aluminum oxide membrane (AAO), interface interactions between a solid surface, solvent, non-solvent, and PA6 will influence the obtained polymer nanostructures, resulting in complex morphologies, increased surface area, and crystallization changes. With the enhancing interaction of PA6 and the AAO surface, the morphology of PA6 nanostructures changes from solid nanofibers, mesoporous, to bamboo-like, while at the same time, metastable γ-phase domains increase in these PA6 nanostructures. Brunauer-Emmett-Teller (BET) surface areas of solid, bamboo-like, and mesoporous PA6 nanofibers rise from 16, 20.9, to 25 m(2)/g. This study shows that interfacial interaction in AAO template fabrication can be used in manipulating the morphology and crystallization of one-dimensional polymer nanostructures. It also provides us a simple and novel method to create porous PA6 nanofibers with a large surface area.

Molecular dynamics study of the interactions of incident N or Ti atoms with the TiN(001) surface

International Nuclear Information System (INIS)

Xu, Zhenhai; Zeng, Quanren; Yuan, Lin; Qin, Yi; Chen, Mingjun; Shan, Debin

2016-01-01

Graphical abstract: - Highlights: • Interactions of incident N or Ti atoms with TiN(001) surface are studied by CMD. • The impact position of incident N on the surface determines the interaction modes. • Adsorption could occur due to the atomic exchange process. • Resputtering and reflection may simultaneously occur. • The initial sticking coefficient of N on TiN(001) is much smaller than that of Ti. - Abstract: The interaction processes between incident N or Ti atoms and the TiN(001) surface are simulated by classical molecular dynamics based on the second nearest-neighbor modified embedded-atom method potentials. The simulations are carried out for substrate temperatures between 300 and 700 K and kinetic energies of the incident atoms within the range of 0.5–10 eV. When N atoms impact against the surface, adsorption, resputtering and reflection of particles are observed; several unique atomic mechanisms are identified to account for these interactions, in which the adsorption could occur due to the atomic exchange process while the resputtering and reflection may simultaneously occur. The impact position of incident N atoms on the surface plays an important role in determining the interaction modes. Their occurrence probabilities are dependent on the kinetic energy of incident N atoms but independent on the substrate temperature. When Ti atoms are the incident particles, adsorption is the predominant interaction mode between particles and the surface. This results in the much smaller initial sticking coefficient of N atoms on the TiN(001) surface compared with that of Ti atoms. Stoichiometric TiN is promoted by N/Ti flux ratios larger than one.

Challenges and opportunities of modeling plasma–surface interactions in tungsten using high-performance computing

Energy Technology Data Exchange (ETDEWEB)

Wirth, Brian D., E-mail: bdwirth@utk.edu [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Nuclear Science and Engineering Directorate, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Hammond, K.D. [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Krasheninnikov, S.I. [University of California, San Diego, La Jolla, CA (United States); Maroudas, D. [University of Massachusetts, Amherst, Amherst, MA 01003 (United States)

2015-08-15

The performance of plasma facing components (PFCs) is critical for ITER and future magnetic fusion reactors. The ITER divertor will be tungsten, which is the primary candidate material for future reactors. Recent experiments involving tungsten exposure to low-energy helium plasmas reveal significant surface modification, including the growth of nanometer-scale tendrils of “fuzz” and formation of nanometer-sized bubbles in the near-surface region. The large span of spatial and temporal scales governing plasma surface interactions are among the challenges to modeling divertor performance. Fortunately, recent innovations in computational modeling, increasingly powerful high-performance computers, and improved experimental characterization tools provide a path toward self-consistent, experimentally validated models of PFC and divertor performance. Recent advances in understanding tungsten–helium interactions are reviewed, including such processes as helium clustering, which serve as nuclei for gas bubbles; and trap mutation, dislocation loop punching and bubble bursting; which together initiate surface morphological modification.

Challenges and opportunities of modeling plasma–surface interactions in tungsten using high-performance computing

International Nuclear Information System (INIS)

Wirth, Brian D.; Hammond, K.D.; Krasheninnikov, S.I.; Maroudas, D.

2015-01-01

The performance of plasma facing components (PFCs) is critical for ITER and future magnetic fusion reactors. The ITER divertor will be tungsten, which is the primary candidate material for future reactors. Recent experiments involving tungsten exposure to low-energy helium plasmas reveal significant surface modification, including the growth of nanometer-scale tendrils of “fuzz” and formation of nanometer-sized bubbles in the near-surface region. The large span of spatial and temporal scales governing plasma surface interactions are among the challenges to modeling divertor performance. Fortunately, recent innovations in computational modeling, increasingly powerful high-performance computers, and improved experimental characterization tools provide a path toward self-consistent, experimentally validated models of PFC and divertor performance. Recent advances in understanding tungsten–helium interactions are reviewed, including such processes as helium clustering, which serve as nuclei for gas bubbles; and trap mutation, dislocation loop punching and bubble bursting; which together initiate surface morphological modification

Overlapping ETF: Pair trading between two gold stocks

OpenAIRE

Bell, Peter N; Lui, Brian; Brekke, Alex

2012-01-01

The purpose of this paper is to propose a trading strategy for overlapping ETF and calculate the profitability using real price data. For two overlapping ETF that are designed to provide the same intraday percentage change, the difference in percentage changes is a measure of mispricing. This mispricing is the central focus of the paper. The premise of the paper is that mispricing can take large positive or negative values, but it will always come back to zero. This assumption reflects ou...

Specific interactions of functionalised gold surfaces with ammonium perchlorate or starch; towards a chemical cartography of their mixture

Energy Technology Data Exchange (ETDEWEB)

Mercier, D. [CNRS, UMR CNRS 7609, Laboratoire de Reactivite de Surface, Paris (France); Universite Pierre et Marie Curie - UPMC Paris VI, Laboratoire de Reactivite de Surface, 4 place Jussieu, 75252 Paris Cedex 05 (France); Laboratoire de recherche conventionne CEA/UPMC n Degree-Sign 1, Paris (France); Mercader, C.; Quere, S.; Hairault, L. [CEA, DAM, Le Ripault, F-37260 Monts (France); Laboratoire de recherche conventionne CEA/UPMC n Degree-Sign 1, Paris (France); Methivier, C. [CNRS, UMR CNRS 7609, Laboratoire de Reactivite de Surface, Paris (France); Universite Pierre et Marie Curie - UPMC Paris VI, Laboratoire de Reactivite de Surface, 4 place Jussieu, 75252 Paris Cedex 05 (France); Laboratoire de recherche conventionne CEA/UPMC n Degree-Sign 1, Paris (France); Pradier, C.M., E-mail: claire-Marie.pradier@upmc.fr [CNRS, UMR CNRS 7609, Laboratoire de Reactivite de Surface, Paris (France); Universite Pierre et Marie Curie - UPMC Paris VI, Laboratoire de Reactivite de Surface, 4 place Jussieu, 75252 Paris Cedex 05 (France); Laboratoire de recherche conventionne CEA/UPMC n Degree-Sign 1, Paris (France)

2012-10-01

Highlights: Black-Right-Pointing-Pointer Measurements of interactions by Quartz Crystal Microbalance. Black-Right-Pointing-Pointer AFM and CFM measurements, tip functionalisation. Black-Right-Pointing-Pointer Surface nano-imaging. - Abstract: By functionalising gold samples, planar wafers or AFM tips, with an acid- or an amino acid-terminated thiols, mercaptoundecanoic acid (MUA) and homocystein (H-Cyst) respectively, we were able to differentiate the interactions with ammonium perchlorate (AP) and starch (S), two components of a nanocomposition mixture. To do so, the interaction between gold functionalized surfaces and the two targeted compounds have been characterized and quantified by several complementary techniques. Polarisation modulation-infrared spectroscopy (PM-IRRAS), and X-ray photoelectron spectroscopy (XPS), providing chemical analyses of gold surfaces after contacting S or AP, proved that both compounds were retained on MUA or H-Cyst-modified surfaces, but to various extents. Quartz crystal microbalance on-line measurements enabled to monitor the kinetics of interaction and showed distinct differences in the behaviour of MUA and H-Cyst-surfaces towards the two compounds. Having observed that only H-Cyst-modified surfaces enables to get a contrast on the chemical force microscopy (CFM) images, this new result could be well explained by examining the data obtained by combining the above-mentioned surface characterisation techniques.

Scattering function for a model of interacting surfaces

International Nuclear Information System (INIS)

Colangelo, P.; Gonnella, G.; Maritan, A.

1993-01-01

The two-point correlation function of an ensemble of interacting closed self-avoiding surfaces on a cubic lattice is analyzed in the disordered phase, which corresponds to the paramagnetic region in a related spin formulation. Mean-field theory and Monte Carlo simulations predict the existence of a disorder line which corresponds to a transition from an exponential decay to an oscillatory damped behavior of the two-point correlation function. The relevance of the results for the description of amphiphilic systems in a microemulsion phase is discussed. The scattering function is also calculated for a bicontinuous phase coexisting with the paramagnetic phase

Optimal overlapping of waveform relaxation method for linear differential equations

International Nuclear Information System (INIS)

Yamada, Susumu; Ozawa, Kazufumi

2000-01-01

Waveform relaxation (WR) method is extremely suitable for solving large systems of ordinary differential equations (ODEs) on parallel computers, but the convergence of the method is generally slow. In order to accelerate the convergence, the methods which decouple the system into many subsystems with overlaps some of the components between the adjacent subsystems have been proposed. The methods, in general, converge much faster than the ones without overlapping, but the computational cost per iteration becomes larger due to the increase of the dimension of each subsystem. In this research, the convergence of the WR method for solving constant coefficients linear ODEs is investigated and the strategy to determine the number of overlapped components which minimizes the cost of the parallel computations is proposed. Numerical experiments on an SR2201 parallel computer show that the estimated number of the overlapped components by the proposed strategy is reasonable. (author)

Resolution enhancement of holographic printer using a hogel overlapping method.

Science.gov (United States)

Hong, Keehoon; Park, Soon-gi; Yeom, Jiwoon; Kim, Jonghyun; Chen, Ni; Pyun, Kyungsuk; Choi, Chilsung; Kim, Sunil; An, Jungkwuen; Lee, Hong-Seok; Chung, U-in; Lee, Byoungho

2013-06-17

We propose a hogel overlapping method for the holographic printer to enhance the lateral resolution of holographic stereograms. The hogel size is directly related to the lateral resolution of the holographic stereogram. Our analysis by computer simulation shows that there is a limit to decreasing the hogel size while printing holographic stereograms. Instead of reducing the size of hogel, the lateral resolution of holographic stereograms can be enhanced by printing overlapped hogels, which makes it possible to take advantage of multiplexing property of the volume hologram. We built a holographic printer, and recorded two holographic stereograms using the conventional and proposed overlapping methods. The images and movies of the holographic stereograms experimentally captured were compared between the conventional and proposed methods. The experimental results confirm that the proposed hogel overlapping method improves the lateral resolution of holographic stereograms compared to the conventional holographic printing method.

The overlapping community structure of structural brain network in young healthy individuals.

Directory of Open Access Journals (Sweden)

Kai Wu

2011-05-01

Full Text Available Community structure is a universal and significant feature of many complex networks in biology, society, and economics. Community structure has also been revealed in human brain structural and functional networks in previous studies. However, communities overlap and share many edges and nodes. Uncovering the overlapping community structure of complex networks remains largely unknown in human brain networks. Here, using regional gray matter volume, we investigated the structural brain network among 90 brain regions (according to a predefined anatomical atlas in 462 young, healthy individuals. Overlapped nodes between communities were defined by assuming that nodes (brain regions can belong to more than one community. We demonstrated that 90 brain regions were organized into 5 overlapping communities associated with several well-known brain systems, such as the auditory/language, visuospatial, emotion, decision-making, social, control of action, memory/learning, and visual systems. The overlapped nodes were mostly involved in an inferior-posterior pattern and were primarily related to auditory and visual perception. The overlapped nodes were mainly attributed to brain regions with higher node degrees and nodal efficiency and played a pivotal role in the flow of information through the structural brain network. Our results revealed fuzzy boundaries between communities by identifying overlapped nodes and provided new insights into the understanding of the relationship between the structure and function of the human brain. This study provides the first report of the overlapping community structure of the structural network of the human brain.

Ocean-wide tracking of pelagic sharks reveals extent of overlap with longline fishing hotspots.

Science.gov (United States)

Queiroz, Nuno; Humphries, Nicolas E; Mucientes, Gonzalo; Hammerschlag, Neil; Lima, Fernando P; Scales, Kylie L; Miller, Peter I; Sousa, Lara L; Seabra, Rui; Sims, David W

2016-02-09

Overfishing is arguably the greatest ecological threat facing the oceans, yet catches of many highly migratory fishes including oceanic sharks remain largely unregulated with poor monitoring and data reporting. Oceanic shark conservation is hampered by basic knowledge gaps about where sharks aggregate across population ranges and precisely where they overlap with fishers. Using satellite tracking data from six shark species across the North Atlantic, we show that pelagic sharks occupy predictable habitat hotspots of high space use. Movement modeling showed sharks preferred habitats characterized by strong sea surface-temperature gradients (fronts) over other available habitats. However, simultaneous Global Positioning System (GPS) tracking of the entire Spanish and Portuguese longline-vessel fishing fleets show an 80% overlap of fished areas with hotspots, potentially increasing shark susceptibility to fishing exploitation. Regions of high overlap between oceanic tagged sharks and longliners included the North Atlantic Current/Labrador Current convergence zone and the Mid-Atlantic Ridge southwest of the Azores. In these main regions, and subareas within them, shark/vessel co-occurrence was spatially and temporally persistent between years, highlighting how broadly the fishing exploitation efficiently "tracks" oceanic sharks within their space-use hotspots year-round. Given this intense focus of longliners on shark hotspots, our study argues the need for international catch limits for pelagic sharks and identifies a future role of combining fine-scale fish and vessel telemetry to inform the ocean-scale management of fisheries.

Two dimensional simulation of high power laser-surface interaction

International Nuclear Information System (INIS)

Goldman, S.R.; Wilke, M.D.; Green, R.E.L.; Johnson, R.P.; Busch, G.E.

1998-01-01

For laser intensities in the range of 10 8 --10 9 W/cm 2 , and pulse lengths of order 10 microsec or longer, the authors 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 their 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. The authors will present an analysis of some relatively well diagnosed experiments which have been useful in developing their 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 their simulational technique appears to form a useful basis for further investigation of laser-surface interaction in this intensity, pulse-width range. This work is useful in many technical areas such as materials processing

Overlapped flowers yield detection using computer-based interface

Directory of Open Access Journals (Sweden)

Anuradha Sharma

2016-09-01

Full Text Available Precision agriculture has always dealt with the accuracy and timely information about agricultural products. With the help of computer hardware and software technology designing a decision support system that could generate flower yield information and serve as base for management and planning of flower marketing is made so easy. Despite such technologies, some problem still arise, for example, a colour homogeneity of a specimen which cannot be obtained similar to actual colour of image and overlapping of image. In this paper implementing a new ‘counting algorithm’ for overlapped flower is being discussed. For implementing this algorithm, some techniques and operations such as colour image segmentation technique, image segmentation, using HSV colour space and morphological operations have been used. In this paper used two most popular colour space; those are RGB and HSV. HSV colour space decouples brightness from a chromatic component in the image, by which it provides better result in case for occlusion and overlapping.

First-principles study of the interactions of hydrogen with low-index surfaces of PdCu ordered alloy

Directory of Open Access Journals (Sweden)

Min Tang

2017-12-01

Full Text Available PdCu catalysts play a key role in several hydrogen-involved processes. Among these reactions, the interaction of hydrogen with PdCu essentially determines the catalytic performance. However, the response of PdCu to surrounding hydrogen has been poorly investigated, especially for specific facets of PdCu at different environment. In this work, taking temperature and hydrogen pressure into account, we studied the hydrogen-surface interactions for four low-index surfaces of PdCu through first-principles calculations. It was found that H-PdCu adsorption strong relies on the facets, hydrogen coverage, and reaction environment (temperature and H-pressure. Our work highlights the importance of the environment on the nature of catalyst surfaces and reactions and offers a plausible way to investigate the interactions between gas and the surfaces of nanocatalysts in real reactions.

Overlapping sphincteroplasty and posterior repair.

Science.gov (United States)

Crane, Andrea K; Myers, Erinn M; Lippmann, Quinn K; Matthews, Catherine A

2014-12-01

Knowledge of how to anatomically reconstruct extensive posterior-compartment defects is variable among gynecologists. The objective of this video is to demonstrate an effective technique of overlapping sphincteroplasty and posterior repair. In this video, a scripted storyboard was constructed that outlines the key surgical steps of a comprehensive posterior compartment repair: (1) surgical incision that permits access to posterior compartment and perineal body, (2) dissection of the rectovaginal space up to the level of the cervix, (3) plication of the rectovaginal muscularis, (4) repair of internal and external anal sphincters, and (5) reconstruction of the perineal body. Using a combination of graphic illustrations and live video footage, tips on repair are highlighted. The goals at the end of repair are to: (1) have improved vaginal caliber, (2) increase rectal tone along the entire posterior vaginal wall, (3) have the posterior vaginal wall at a perpendicular plane to the perineal body, (4) reform the hymenal ring, and (5) not have an overly elongated perineal body. This video provides a step-by-step guide on how to perform an overlapping sphincteroplasty and posterior repair.

Plasma Surface Interactions Common to Advanced Fusion Wall Materials and EUV Lithography - Lithium and Tin

Science.gov (United States)

Ruzic, D. N.; Alman, D. A.; Jurczyk, B. E.; Stubbers, R.; Coventry, M. D.; Neumann, M. J.; Olczak, W.; Qiu, H.

2004-09-01

Advanced plasma facing components (PFCs) are needed to protect walls in future high power fusion devices. In the semiconductor industry, extreme ultraviolet (EUV) sources are needed for next generation lithography. Lithium and tin are candidate materials in both areas, with liquid Li and Sn plasma material interactions being critical. The Plasma Material Interaction Group at the University of Illinois is leveraging liquid metal experimental and computational facilities to benefit both fields. The Ion surface InterAction eXperiment (IIAX) has measured liquid Li and Sn sputtering, showing an enhancement in erosion with temperature for light ion bombardment. Surface Cleaning of Optics by Plasma Exposure (SCOPE) measures erosion and damage of EUV mirror samples, and tests cleaning recipes with a helicon plasma. The Flowing LIquid surface Retention Experiment (FLIRE) measures the He and H retention in flowing liquid metals, with retention coefficients varying between 0.001 at 500 eV to 0.01 at 4000 eV.

Overlapping Chronic Pain Conditions: Implications for Diagnosis and Classification.

Science.gov (United States)

Maixner, William; Fillingim, Roger B; Williams, David A; Smith, Shad B; Slade, Gary D

2016-09-01

There is increasing recognition that many if not most common chronic pain conditions are heterogeneous with a high degree of overlap or coprevalence of other common pain conditions along with influences from biopsychosocial factors. At present, very little attention is given to the high degree of overlap of many common pain conditions when recruiting for clinical trials. As such, many if not most patients enrolled into clinical studies are not representative of most chronic pain patients. The failure to account for the heterogeneous and overlapping nature of most common pain conditions may result in treatment responses of small effect size when these treatments are administered to patients with chronic overlapping pain conditions (COPCs) represented in the general population. In this brief review we describe the concept of COPCs and the putative mechanisms underlying COPCs. Finally, we present a series of recommendations that will advance our understanding of COPCs. This brief review describes the concept of COPCs. A mechanism-based heuristic model is presented and current knowledge and evidence for COPCs are presented. Finally, a set of recommendations is provided to advance our understanding of COPCs. Copyright © 2016 American Pain Society. Published by Elsevier Inc. All rights reserved.

Identification and characterization of a nuclear localization signal of TRIM28 that overlaps with the HP1 box

International Nuclear Information System (INIS)

Moriyama, Tetsuji; Sangel, Percival; Yamaguchi, Hiroki; Obuse, Chikashi; Miyamoto, Yoichi; Oka, Masahiro; Yoneda, Yoshihiro

2015-01-01

Tripartite motif-containing 28 (TRIM28) is a transcription regulator, which forms a repressor complex containing heterochromatin protein 1 (HP1). Here, we report identification of a nuclear localization signal (NLS) within the 462-494 amino acid region of TRIM28 that overlaps with its HP1 binding site, HP1 box. GST-pulldown experiments revealed the interaction of the arginine-rich TRIM28 NLS with various importin α subtypes (α1, α2 and α4). In vitro transport assay demonstrated that nuclear localization of GFP-TRIM28 NLS is mediated by importin αs, in conjunction with importin β1 and Ran. Further, we demonstrated that HP1 and importin αs compete for binding to TRIM28. Together, our findings suggest that importin α has an essential role in the nuclear delivery and preferential HP1 interaction of TRIM28. - Highlights: • TRIM28 contains an NLS within the 462-494 amino acid region. • The nuclear import of TRIM28 is mediated by importin α/importin β1. • TRIM28 NLS overlaps with HP1 Box. • HP1 and importin α compete for binding to TRIM28

Identification and characterization of a nuclear localization signal of TRIM28 that overlaps with the HP1 box

Energy Technology Data Exchange (ETDEWEB)

Moriyama, Tetsuji; Sangel, Percival [Laboratory of Nuclear Transport Dynamics, National Institutes of Biomedical Innovation, Health and Nutrition (NIBIOHN), Osaka 567-0085 (Japan); Yamaguchi, Hiroki [School of Medicine, Osaka University, Osaka 565-0871 (Japan); Obuse, Chikashi [Graduate School of Life Science, Hokkaido University, Sapporo 001-0021 (Japan); Miyamoto, Yoichi [Laboratory of Nuclear Transport Dynamics, National Institutes of Biomedical Innovation, Health and Nutrition (NIBIOHN), Osaka 567-0085 (Japan); Oka, Masahiro, E-mail: moka@nibiohn.go.jp [Laboratory of Nuclear Transport Dynamics, National Institutes of Biomedical Innovation, Health and Nutrition (NIBIOHN), Osaka 567-0085 (Japan); Laboratory of Biomedical Innovation, Graduate School of Pharmaceutical Sciences, Osaka University, Osaka 565-0871 (Japan); Yoneda, Yoshihiro, E-mail: y-yoneda@nibiohn.go.jp [National Institutes of Biomedical Innovation, Health and Nutrition (NIBIOHN), Osaka 567-0085 (Japan); Laboratory of Biomedical Innovation, Graduate School of Pharmaceutical Sciences, Osaka University, Osaka 565-0871 (Japan)

2015-07-03

Tripartite motif-containing 28 (TRIM28) is a transcription regulator, which forms a repressor complex containing heterochromatin protein 1 (HP1). Here, we report identification of a nuclear localization signal (NLS) within the 462-494 amino acid region of TRIM28 that overlaps with its HP1 binding site, HP1 box. GST-pulldown experiments revealed the interaction of the arginine-rich TRIM28 NLS with various importin α subtypes (α1, α2 and α4). In vitro transport assay demonstrated that nuclear localization of GFP-TRIM28 NLS is mediated by importin αs, in conjunction with importin β1 and Ran. Further, we demonstrated that HP1 and importin αs compete for binding to TRIM28. Together, our findings suggest that importin α has an essential role in the nuclear delivery and preferential HP1 interaction of TRIM28. - Highlights: • TRIM28 contains an NLS within the 462-494 amino acid region. • The nuclear import of TRIM28 is mediated by importin α/importin β1. • TRIM28 NLS overlaps with HP1 Box. • HP1 and importin α compete for binding to TRIM28.

Interaction of flexible surface hairs with near-wall turbulence

International Nuclear Information System (INIS)

Bruecker, Ch

2011-01-01

The interaction of near-wall turbulence with hairy surfaces is investigated in a turbulent boundary layer flow along a flat plate in an oil channel at Re = 1.2 x 10 6 . The plate is covered locally with a dense carpet of elastomeric micro-hairs (length L = 1 mm, length in viscous units L + = 30) which are arranged in a regular grid (60 x 30 hairs with a streamwise spacing Δx + ∼15 and a spanwise spacing Δy + ∼30). Instead of the micro-structures used in previous studies for sensory applications, the surface hairs are considerably larger and much more densely distributed with a spacing of S/D < 5 such that they interact with each other by flow coupling. The non-fluctuating mean part of the flow forces a substantial pre-bending in the streamwise direction (reconfiguration). As a consequence, the hairs align with the streamwise direction, thus imposing anisotropic damping characteristics with regard to flow fluctuations in streamwise and spanwise or wall-normal directions. Near-wall high-frequency disturbances excited by the passage of turbulent sweeps are dampened over their course along the carpet. The cooperative action of the hairs leads to an energy transfer from small-scale motion to larger scales, thus increasing the coherence of the motion pattern in streamwise and spanwise directions. As a consequence of the specific arrangement of the micro-hairs in streamwise columns a reduced spanwise meandering and stabilization of the streamwise velocity streaks is achieved by promoting varicose waves and inhibiting sinusoidal waves. Streak stabilization is known to be a major contributor to turbulent drag reduction. Thus it is concluded that hairy surfaces may be of benefit for turbulent drag reduction as hypothesized by Bartenwerfer and Bechert (1991 Z. Flugwiss. Weltraumforsch. 15 19-26).

Analyses on interaction of internal and external surface cracks in a pressurized cylinder by hybrid boundary element method

International Nuclear Information System (INIS)

Chai Guozhong; Fang Zhimin; Jiang Xianfeng; Li Gan

2004-01-01

This paper presents a comprehensive range of analyses on the interaction of two identical semi-elliptical surface cracks at the internal and external surfaces of a pressurized cylinder. The considered ratios of the crack depth to crack length are b/a=0.25, 0.5, 0.75 and 1.0; the ratios of the crack depth to wall thickness of the cylinder are 2b/t=0.2, 0.4, 0.6, 0.7 and 0.8. Forty crack configurations are analyzed and the stress intensity factors along the crack front are presented. The numerical results show that for 2b/t<0.7, the interaction leads to a decrease in the stress intensity factors for both internal and external surface cracks, compared with a single internal or external surface crack. Thus for fracture analysis of a practical pressurized cylinder with two identical semi-elliptical surface cracks at its internal and external surfaces, a conservative result is obtained by ignoring the interaction

Surface modification of polyacrylonitrile-based carbon fiber and its interaction with imide

International Nuclear Information System (INIS)

Xu Bing; Wang Xiaoshu; Lu Yun

2006-01-01

In this work, sized polyacrylonitrile (PAN)-based carbon fibers were chemically modified with nitric acid and maleic anhydride (MA) in order to improve the interaction between carbon fiber surface and polyimide matrix. Bismaleimide (BMI) was selected as a model compound of polyimide to react with modified carbon fiber. The surface characteristic changing after modification and surface reaction was investigated by element analysis (EA), scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and surface enhanced Raman scattering (SERS). The results indicated that the modification of carbon fiber surface with MA might follow the Diels Alder reaction mechanism. In the surface reaction between modified fibers and BMI, among the various surface functional groups, the hydroxyl group provided from phenolic hydroxyl group and bridged structure on carbon fiber may be the most effective group reacted with imide structure. The results may shed some light on the design of the appropriate surface structure, which could react with polyimide, and the manufacture of the carbon fiber-reinforced polyimide matrix composites

Lactic acid bacteria in dairy food: surface characterization and interactions with food matrix components.

Science.gov (United States)

Burgain, J; Scher, J; Francius, G; Borges, F; Corgneau, M; Revol-Junelles, A M; Cailliez-Grimal, C; Gaiani, C

2014-11-01

This review gives an overview of the importance of interactions occurring in dairy matrices between Lactic Acid Bacteria and milk components. Dairy products are important sources of biological active compounds of particular relevance to human health. These compounds include immunoglobulins, whey proteins and peptides, polar lipids, and lactic acid bacteria including probiotics. A better understanding of interactions between bioactive components and their delivery matrix may successfully improve their transport to their target site of action. Pioneering research on probiotic lactic acid bacteria has mainly focused on their host effects. However, very little is known about their interaction with dairy ingredients. Such knowledge could contribute to designing new and more efficient dairy food, and to better understand relationships between milk constituents. The purpose of this review is first to provide an overview of the current knowledge about the biomolecules produced on bacterial surface and the composition of the dairy matter. In order to understand how bacteria interact with dairy molecules, adhesion mechanisms are subsequently reviewed with a special focus on the environmental conditions affecting bacterial adhesion. Methods dedicated to investigate the bacterial surface and to decipher interactions between bacteria and abiotic dairy components are also detailed. Finally, relevant industrial implications of these interactions are presented and discussed. Copyright © 2014 Elsevier B.V. All rights reserved.

Angular overlap model in actinides

International Nuclear Information System (INIS)

Gajek, Z.; Mulak, J.

1991-01-01

Quantitative foundations of the Angular Overlap Model in actinides based on ab initio calculations of the crystal field effect in the uranium (III) (IV) and (V) ions in various crystals are presented. The calculations justify some common simplifications of the model and fix up the relations between the AOM parameters. Traps and limitations of the AOM phenomenology are discussed

Angular overlap model in actinides

Energy Technology Data Exchange (ETDEWEB)

Gajek, Z.; Mulak, J. (Polska Akademia Nauk, Wroclaw (PL). Inst. Niskich Temperatur i Badan Strukturalnych)

1991-01-01

Quantitative foundations of the Angular Overlap Model in actinides based on ab initio calculations of the crystal field effect in the uranium (III) (IV) and (V) ions in various crystals are presented. The calculations justify some common simplifications of the model and fix up the relations between the AOM parameters. Traps and limitations of the AOM phenomenology are discussed.

Influence of surface chemistry of carbon materials on their interactions with inorganic nitrogen contaminants in soil and water.

Science.gov (United States)

Sumaraj; Padhye, Lokesh P

2017-10-01

Inorganic nitrogen contaminants (INC) (NH 4 + , NO 3 - , NO 2 - , NH 3 , NO, NO 2 , and N 2 O) pose a growing risk to the environment, and their remediation methods are highly sought after. Application of carbon materials (CM), such as biochar and activated carbon, to remediate INC from agricultural fields and wastewater treatment plants has gained a significant interest since past few years. Understanding the role of surface chemistry of CM in adsorption of various INC is highly critical to increase adsorption efficiency as well as to assess the long term impact of using these highly recalcitrant CM for remediation of INC. Critical reviews of adsorption studies related to INC have revealed that carbon surface chemistry (surface functional groups, pH, Eh, elemental composition, and mineral content) has significant influence on adsorption of INC. Compared to basic functional groups, oxygen containing surface functional groups have been found to be more influential for adsorption of INC. However, basic sites on carbon materials still play an important role in chemisorption of anionic INC. Apart from surface functional groups, pH, Eh and pH zpc of CM and elemental and mineral composition of its surface are important properties capable of altering INC interactions with CM. This review summarizes our current understanding of INC interactions with CM's surface through the known chemisorption mechanisms: electrostatic interaction, hydrogen bonding, electron donor-acceptor mechanism, hydrophobic and hydrophilic interaction, chemisorption aided by minerals, and interactions influenced by pH and elemental composition. Change in surface chemistry of CM in soil during aging is also discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Surface interactions involved in flashover with high density electronegative gases.

Energy Technology Data Exchange (ETDEWEB)

Hodge, Keith Conquest; Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Wallace, Zachariah Red; Lehr, Jane Marie

2010-01-01

This report examines the interactions involved with flashover along a surface in high density electronegative gases. The focus is on fast ionization processes rather than the later time ionic drift or thermalization of the discharge. A kinetic simulation of the gas and surface is used to examine electron multiplication and includes gas collision, excitation and ionization, and attachment processes, gas photoionization and surface photoemission processes, as well as surface attachment. These rates are then used in a 1.5D fluid ionization wave (streamer) model to study streamer propagation with and without the surface in air and in SF6. The 1.5D model therefore includes rates for all these processes. To get a better estimate for the behavior of the radius we have studied radial expansion of the streamer in air and in SF6. The focus of the modeling is on voltage and field level changes (with and without a surface) rather than secondary effects, such as, velocities or changes in discharge path. An experiment has been set up to carry out measurements of threshold voltages, streamer velocities, and other discharge characteristics. This setup includes both electrical and photographic diagnostics (streak and framing cameras). We have observed little change in critical field levels (where avalanche multiplication sets in) in the gas alone versus with the surface. Comparisons between model calculations and experimental measurements are in agreement with this. We have examined streamer sustaining fields (field which maintains ionization wave propagation) in the gas and on the surface. Agreement of the gas levels with available literature is good and agreement between experiment and calculation is good also. Model calculations do not indicate much difference between the gas alone versus the surface levels. Experiments have identified differences in velocity between streamers on the surface and in the gas alone (the surface values being larger).

Inverse modeling of cloud-aerosol interactions -- Part 1: Detailed response surface analysis

NARCIS (Netherlands)

Partridge, D.G.; Vrugt, J.A.; Tunved, P.; Ekman, A.M.L.; Gorea, D.; Sooroshian, A.

2011-01-01

New methodologies are required to probe the sensitivity of parameters describing cloud droplet activation. This paper presents an inverse modeling-based method for exploring cloud-aerosol interactions via response surfaces. The objective function, containing the difference between the measured and

Electron emission induced by resonant coherent interaction in ion-surface scattering at grazing incidence

International Nuclear Information System (INIS)

Garcia de Abajo, F.J.; Ponce, V.H.; Echenique, P.M.

1994-01-01

The resonant coherent interaction of an ion with an oriented crystal surface, under grazing-incidence conditions with respect to a special direction of the crystal, gives rise to electron loss to the continuum from electronic bound states of the ion. The calculations presented below predict large probabilities for electron emission due to this mechanism. The electrons are emitted with well defined energies, expressed in terms of the condition of resonance. Furthermore, the emission takes place around certain preferential directions, which are determined by both the latter condition and the symmetry of the surface lattice. Our calculations for MeV He + ions scattered at a W(001) surface along the left-angle 100 right-angle direction with glancing angle of 0--2 mrad indicate a yield of emission close to 1. Using heavier projectiles, one obtains smaller yields, but still large enough to be measurable in some cases (e.g., ∼0.9 for 53 MeV B 4+ and an angle of incidence of 1 mrad). Besides, the initial bound state is energy shifted due to the interaction with both the crystal potential and the velocity-dependent image potential. This results in a slight shift of the peaks of emission, which suggests a possible spectroscopy for analyzing the dynamical interaction of electronic bound states with solid surfaces

On the interfacial interaction between bituminous binders and mineral surfaces as present in asphalt mixtures

NARCIS (Netherlands)

Fischer, H.R.; Dillingh, E.C.; Hermse, C.G.M.

2013-01-01

The interfacial interaction between bituminous binders and several mineral surfaces of different chemical nature as present in asphalt mixtures has been investigated using atomic force microscopy. Several dry mineral surfaces display comparable wetting with respect to the different phases present in

Differential MS2 Interaction with Food Contact Surfaces Determined by Atomic Force Microscopy and Virus Recovery.

Science.gov (United States)

Shim, J; Stewart, D S; Nikolov, A D; Wasan, D T; Wang, R; Yan, R; Shieh, Y C

2017-12-15

Enteric viruses are recognized as major etiologies of U.S. foodborne infections. These viruses are easily transmitted via food contact surfaces. Understanding virus interactions with surfaces may facilitate the development of improved means for their removal, thus reducing transmission. Using MS2 coliphage as a virus surrogate, the strength of virus adhesion to common food processing and preparation surfaces of polyvinyl chloride (PVC) and glass was assessed by atomic force microscopy (AFM) and virus recovery assays. The interaction forces of MS2 with various surfaces were measured from adhesion peaks in force-distance curves registered using a spherical bead probe preconjugated with MS2 particles. MS2 in phosphate-buffered saline (PBS) demonstrated approximately 5 times less adhesion force to glass (0.54 nN) than to PVC (2.87 nN) ( P force for PVC (∼0 nN) and consistently increased virus recovery by 19%. With direct and indirect evidence of virus adhesion, this study illustrated a two-way assessment of virus adhesion for the initial evaluation of potential means to mitigate virus adhesion to food contact surfaces. IMPORTANCE The spread of foodborne viruses is likely associated with their adhesive nature. Virus attachment on food contact surfaces has been evaluated by quantitating virus recoveries from inoculated surfaces. This study aimed to evaluate the microenvironment in which nanometer-sized viruses interact with food contact surfaces and to compare the virus adhesion differences using AFM. The virus surrogate MS2 demonstrated less adhesion force to glass than to PVC via AFM, with the force-contributing factors including the intrinsic nature and the topography of the contact surfaces. This adhesion finding is consistent with the virus recoveries, which were determined indirectly. Greater numbers of viruses were recovered from glass than from PVC, after application at the same levels. The stronger MS2 adhesion onto PVC could be interrupted by incorporating a

Interactions between endothelial progenitor cells (EPC) and titanium implant surfaces.

Science.gov (United States)

Ziebart, Thomas; Schnell, Anne; Walter, Christian; Kämmerer, Peer W; Pabst, Andreas; Lehmann, Karl M; Ziebart, Johanna; Klein, Marc O; Al-Nawas, Bilal

2013-01-01

Endothelial cells play an important role in peri-implant angiogenesis during early bone formation. Therefore, interactions between endothelial progenitor cells (EPCs) and titanium dental implant surfaces are of crucial interest. The aim of our in vitro study was to investigate the reactions of EPCs in contact with different commercially available implant surfaces. EPCs from buffy coats were isolated by Ficoll density gradient separation. After cell differentiation, EPC were cultured for a period of 7 days on different titanium surfaces. The test surfaces varied in roughness and hydrophilicity: acid-etched (A), sand-blasted-blasted and acid-etched (SLA), hydrophilic A (modA), and hydrophilic SLA (modSLA). Plastic and fibronectin-coated plastic surfaces served as controls. Cell numbers and morphology were analyzed by confocal laser scanning microscopy. Secretion of vascular endothelial growth factor (VEGF)-A was measured by enzyme-linked immunosorbent assay and expressions of iNOS and eNOS were investigated by real-time polymerase chain reaction. Cell numbers were higher in the control groups compared to the cells of titanium surfaces. Initially, hydrophilic titanium surfaces (modA and modSLA) showed lower cell numbers than hydrophobic surfaces (A and SLA). After 7 days smoother surfaces (A and modA) showed increased cell numbers compared to rougher surfaces (SLA and modSLA). Cell morphology of A, modA, and control surfaces was characterized by a multitude of pseudopodia and planar cell soma architecture. SLA and modSLA promoted small and plump cell soma with little quantity of pseudopodia. The lowest VEGF level was measured on A, the highest on modSLA. The highest eNOS and iNOS expressions were found on modA surfaces. The results of this study demonstrate that biological behaviors of EPCs can be influenced by different surfaces. The modSLA surface promotes an undifferentiated phenotype of EPCs that has the ability to secrete growth factors in great quantities. In

Manipulating interactions between functional colloidal particles and polyethylene surfaces using interfacial engineering.

Science.gov (United States)

Ziani, Khalid; Barish, Jeffrey A; McClements, David Julian; Goddard, Julie M

2011-08-01

The purpose of this study was to examine the interaction between lipid droplets and polyethylene surfaces, representative of those commonly used in food packaging. Lipid droplets with various surface charges were prepared by homogenizing corn oil and water in the presence of surfactants with different electrical characteristics: non-ionic (Tween 80, T80), cationic (lauric arginate, LAE), and/or anionic (sodium dodecyl sulfate, SDS). The ionic properties of polyethylene surfaces were modified by UV-treatment. Stable emulsions containing small droplets (demulsions. Scanning electronic microscopy (SEM), confocal fluorescence microscopy, and ATR-FTIR showed that the number of droplets attached to the polyethylene surfaces depended on the droplet charge and the polyethylene surface characteristics. The greatest degree of droplet adsorption was observed for the cationic droplets to the UV-ozone treated polyethylene surfaces, which was attributed to electrostatic attraction. These results are important for understanding the behavior of encapsulated lipophilic components in food containers. Copyright © 2011 Elsevier Inc. All rights reserved.

Symmetry and symmetry restoration of lattice chiral fermions in the overlap formalism

International Nuclear Information System (INIS)

Kikukawa, Y.

1999-01-01

Three aspects of the symmetry structure of lattice chiral fermions in the overlap formalism are discussed. By the weak coupling expansion of the overlap Dirac operator, the axial anomaly associated to the chiral transformation proposed by Luescher is evaluated and is shown to have the correct form of the topological charge density for perturbative backgrounds. Next we discuss the exponential suppression of the self-energy correction of the lightest mode in the domain-wall fermion/truncated overlap. Finally, we consider a supersymmetric extension of the overlap formula in the case of the chiral multiplet and examine the symmetry structure of the action

Rupture Dynamics along Thrust Dipping Fault: Inertia Effects due to Free Surface Wave Interactions

Science.gov (United States)

Vilotte, J. P.; Scala, A.; Festa, G.

2017-12-01

We numerically investigate the dynamic interaction between free surface and up-dip, in-plane rupture propagation along thrust faults, under linear slip-weakening friction. With reference to shallow along-dip rupture propagation during large subduction earthquakes, we consider here low dip-angle fault configurations with fixed strength excess and depth-increasing initial stress. In this configuration, the rupture undergoes a break of symmetry with slip-induced normal stress perturbations triggered by the interaction with reflected waves from the free surface. We found that both body-waves - behind the crack front - and surface waves - at the crack front - can trigger inertial effects. When waves interact with the rupture before this latter reaches its asymptotic speed, the rupture can accelerate toward the asymptotic speed faster than in the unbounded symmetric case, as a result of these inertial effects. Moreover, wave interaction at the crack front also affects the slip rate generating large ground motion on the hanging wall. Imposing the same initial normal stress, frictional strength and stress drop while varying the static friction coefficient we found that the break of symmetry makes the rupture dynamics dependent on the absolute value of friction. The higher the friction the stronger the inertial effect both in terms of rupture acceleration and slip amount. When the contact condition allows the fault interface to open close to the free surface, the length of the opening zone is shown to depend on the propagation length, the initial normal stress and the static friction coefficient. These new results are shown to agree with analytical results of rupture propagation in bounded media, and open new perspectives for understanding the shallow rupture of large subduction earthquakes and tsunami sources.

On crack interaction effects of in-plane surface cracks using elastic and elastic-plastic finite element analyses

International Nuclear Information System (INIS)

Kim, Jong Min; Huh, Nam Su

2010-01-01

The crack-tip stress fields and fracture mechanics assessment parameters for a surface crack, such as the elastic stress intensity factor or the elastic-plastic J-integral, can be affected significantly by the adjacent cracks. Such a crack interaction effect due to multiple cracks can alter the fracture mechanics assessment parameters significantly. There are many factors to be considered, for instance the relative distance between adjacent cracks, the crack shape, and the loading condition, to quantify the crack interaction effect on the fracture mechanics assessment parameters. Thus, the current assessment codes on crack interaction effects (crack combination rules), including ASME Sec. XI, BS7910, British Energy R6 and API 579-1/ASME FFS-1, provide different rules for combining multiple surface cracks into a single surface crack. The present paper investigates crack interaction effects by evaluating the elastic stress intensity factor and the elastic-plastic J-integral of adjacent in-plane surface cracks in a plate through detailed 3-dimensional elastic and elastic-plastic finite element analyses. The effects on the fracture mechanics assessment parameters of the geometric parameters, the relative distance between two cracks, and the crack shape are investigated systematically. As for the loading condition, an axial tension is considered. Based on the finite element results, the acceptability of the crack combination rules provided in the existing guidance was investigated, and the relevant recommendations on a crack interaction for in-plane surface cracks are discussed. The present results can be used to develop more concrete guidance on crack interaction effects for crack shape characterization to evaluate the integrity of defective components

Improving Phrap-based assembly of the rat using "reliable" overlaps.

Directory of Open Access Journals (Sweden)

Michael Roberts

2008-03-01

Full Text Available The assembly methods used for whole-genome shotgun (WGS data have a major impact on the quality of resulting draft genomes. We present a novel algorithm to generate a set of "reliable" overlaps based on identifying repeat k-mers. To demonstrate the benefits of using reliable overlaps, we have created a version of the Phrap assembly program that uses only overlaps from a specific list. We call this version PhrapUMD. Integrating PhrapUMD and our "reliable-overlap" algorithm with the Baylor College of Medicine assembler, Atlas, we assemble the BACs from the Rattus norvegicus genome project. Starting with the same data as the Nov. 2002 Atlas assembly, we compare our results and the Atlas assembly to the 4.3 Mb of rat sequence in the 21 BACs that have been finished. Our version of the draft assembly of the 21 BACs increases the coverage of finished sequence from 93.4% to 96.3%, while simultaneously reducing the base error rate from 4.5 to 1.1 errors per 10,000 bases. There are a number of ways of assessing the relative merits of assemblies when the finished sequence is available. If one views the overall quality of an assembly as proportional to the inverse of the product of the error rate and sequence missed, then the assembly presented here is seven times better. The UMD Overlapper with options for reliable overlaps is available from the authors at http://www.genome.umd.edu. We also provide the changes to the Phrap source code enabling it to use only the reliable overlaps.

Segmentation of Overlapping Shapes using Test Ray Intersections

DEFF Research Database (Denmark)

Rasmusson, Allan

As the use of digital images have become standard in everyday bioimaging, people are naturally trying to utilize computer algorithms for automating laborious and repetetive image analysis tasks. A preliminary task is the segmentation of structures of interest from digital images. This may in itself....... This may, however, quickly lead to the implementation of complex descriptions of any possible configuration the overlapping shapes may appear in. Presented here is a new approach to segment overlapping shapes which utilizes information gained from probing the image with test rays. Test rays intersections...

Remote Control of Tissue Interactions via Engineered Photo-switchable Cell Surfaces

Science.gov (United States)

Luo, Wei; Pulsipher, Abigail; Dutta, Debjit; Lamb, Brian M.; Yousaf, Muhammad N.

2014-09-01

We report a general cell surface molecular engineering strategy via liposome fusion delivery to create a dual photo-active and bio-orthogonal cell surface for remote controlled spatial and temporal manipulation of microtissue assembly and disassembly. Cell surface tailoring of chemoselective functional groups was achieved by a liposome fusion delivery method and quantified by flow cytometry and characterized by a new cell surface lipid pull down mass spectrometry strategy. Dynamic co-culture spheroid tissue assembly in solution and co-culture tissue multilayer assembly on materials was demonstrated by an intercellular photo-oxime ligation that could be remotely cleaved and disassembled on demand. Spatial and temporal control of microtissue structures containing multiple cell types was demonstrated by the generation of patterned multilayers for controlling stem cell differentiation. Remote control of cell interactions via cell surface engineering that allows for real-time manipulation of tissue dynamics may provide tools with the scope to answer fundamental questions of cell communication and initiate new biotechnologies ranging from imaging probes to drug delivery vehicles to regenerative medicine, inexpensive bioreactor technology and tissue engineering therapies.

Overlaps of partial Néel states and Bethe states

International Nuclear Information System (INIS)

Foda, O; Zarembo, K

2016-01-01

Partial Néel states are generalizations of the ordinary Néel (classical anti-ferromagnet) state that can have arbitrary integer spin. We study overlaps of these states with Bethe states. We first identify this overlap with a partial version of reflecting-boundary domain-wall partition function, and then derive various determinant representations for off-shell and on-shell Bethe states. (paper: quantum statistical physics, condensed matter, integrable systems)

Surface enhanced infrared spectroscopy using interacting gold nanowires

Energy Technology Data Exchange (ETDEWEB)

Neubrech, Frank; Weber, Daniel; Pucci, Annemarie [Kirchhoff-Institut fuer Physik, Heidelberg (Germany); Shen, Hong [Universite Troyes, Troyes (France); Lamy de la Chapelle, Marc [Universite Paris 13, Bobigny (France)

2009-07-01

We performed surface enhanced infrared spectroscopy (SEIRS) of molecules adsorbed on gold nanowires using synchrotron light of the ANKA IR-beamline at the Forschungszentrum Karlsruhe (Germany). Arrays of gold nanowires with interparticle spacings down to 30nm were prepared by electron beam lithography. The interparticle distance was reduced further by wet-chemically increasing the size of the gold nanowires. The growth of the wires was proofed using IR spectroscopy as well as scanning electron microscopy. After this preparation step, appropriate arrays of nanowires with an interparticle distance down to a few nanometers were selected to demonstrate the surface enhanced infrared spectroscopy of one monolayer octadecanthiol (ODT). As know from SEIRS studies using single gold nanowires, the spectral position of the antenna-like resonance in relation to the absorption bands of ODT (2850cm-1 and 2919cm-1) is crucial for both, the lineshape of the molecular vibration and the signal enhancement. In contrast to single nanowires studies, a further increase of the enhanced signals is expected due to the interaction of the electromagnetic fields of the close-by nanowires.

On the bound states of Schrodinger operators with -interactions on conical surfaces

Czech Academy of Sciences Publication Activity Database

Lotoreichik, Vladimir; Ourmieres-Bonafos, T.

2016-01-01

Roč. 41, č. 6 (2016), s. 999-1028 ISSN 0360-5302 Institutional support: RVO:61389005 Keywords : conical and hyperconical surfaces * delta-interaction * existence of bound states * Schrodinger operator * spectral asymptotics Subject RIV: BE - Theoretical Physics Impact factor: 1.608, year: 2016

Efficacy of patient skin dose reduction by a compensating filter through of irradiation field overlaps on the area during percutaneous coronary intervention

International Nuclear Information System (INIS)

Yamasaki, Hiroyuki; Yamaguchi, Sadao; Yamamoto, Naomi; Miyagawa, Takashi; Hirose, Etsuko; Takenaka, Tatsuaki; Nakahara, Makoto

2011-01-01

Our study was involved with entrance surface dose reduction and irradiation field by the filter use of PCI, and insertion in place of an effective compensating filter to maximize entrance surface dose reduction, which we verified. The radiation dosimetry put a 6 cc ion chamber on the back side of the thorax phantom, and changed the filter of the four corners (a: upper left, b: upper right, c: lower right, d: lower left) of the monitor confirmed with fluoroscopy [(0) no filter, (1) one filter, (2) two filters]. The angle of C arm was assumed to be eight directions and 0 degrees adopted by this hospital. It was compared with a corrective rate of which one was no filter. Next, the presence of filter and irradiation field overlaps on the area in monitor in the angle of C arm was verified by this hospital's classic example. As for corrective rate, (1) becomes 0.41 and (2) become 0.25 at fluoroscopy, (1) becomes 0.26 and (2) become 0.16 at exposure. Irradiation field overlaps on the area (+) compensating filter (-) was many with d of right anterior oblique (RAO)/cranial (CAU), a of RAO and c of CAU at left coronary angiography (CAG), c of left anterior oblique (LAO) at right CAG, b of LAO/cranial (CRA) (left CAG), b of CRA (right CAG) and a and d of RAO (right CAG) at both CAG. Irradiation field overlaps on the area (+) compensating filter (+) was many with b of CRA at left CAG, a of LAO/CRA at right CAG, b of CRA (left CAG) and b of RAO (right CAG) at both CAG. When the compensating filter is used the entrance surface dose reduction effect was great. If automatic exposure control protects the part of irradiation field overlaps on the area in the range without operating excessively, the radiological risk can be reduced, and it is conceivable as useful clinical setting. (author)

Dynamics of Plasma-Surface Interactions using In-situ Ion Beam Analysis

International Nuclear Information System (INIS)

Whyte, D.G.

2009-01-01

The overall goal of this proposal was to develop an innovative experimental facility that would allow for the measurement of real-time response of a material surface to plasma bombardment by employing in-situ high-energy ion beam analysis. This facility was successfully developed and deployed at U. Wisconsin-Madison and was named DIONISOS (Dynamics of IONic Implantation and Sputtering on Surfaces). There were several major highlights to the DIONISOS research which we will briefly highlight below. The full technical details of the DIONISOS development, deployment and research results are contained in the Appendices which contain several peer-reviewed publications and a PhD thesis devoted to DIONISOS. The DIONISOS results on deuterium retention in molybdenum were chosen as an invited talk at the 2008 International Conference on Plasma-Surface Interactions in Toledo, Spain.

Improving Inversions of the Overlap Operator

International Nuclear Information System (INIS)

Krieg, S.; Cundy, N.; Eshof, J. van den; Frommer, A.; Lippert, Th.; Schaefer, K.

2005-01-01

We present relaxation and preconditioning techniques which accelerate the inversion of the overlap operator by a factor of four on small lattices, with larger gains as the lattice size increases. These improvements can be used in both propagator calculations and dynamical simulations

Low Self-Control and the Victim-Offender Overlap: A Gendered Analysis.

Science.gov (United States)

Flexon, Jamie L; Meldrum, Ryan C; Piquero, Alex R

2016-07-01

The overlap between victimization and offending is well documented. Yet, there have been fewer investigations of the reasons underlying this relationship. One possible, but understudied, explanation lies with Gottfredson and Hirschi's arguments regarding self-control. The current study adds to this line of inquiry by assessing whether low self-control accounts for the victim-offender overlap in a sample of young adults and whether self-control accounts for the observed overlap similarly across gender. Results from a series of bivariate probit regression models indicate that low self-control is positively related to both victimization and offending. However, only among males does low self-control account for a substantive portion of the victim-offender overlap. Limitations of the study and implications and directions for future research are discussed. © The Author(s) 2015.

Effect of surface physical and chemical properties on interaction and annihilation mechanisms of positrons

International Nuclear Information System (INIS)

Gol'danskij, V.I.; Levin, B.M.; Shantarovich, V.P.

1982-01-01

The possibility of positron use is illustrated, to investigate physical and chemical properties of the surface, by a number of effects found by the authors while studying the interaction and annihilation of β + -decay positrons in highly-dispersed heterogeneous systems positronium formation and ortho-para conversion close to the surface of metal particles in a dielectric matrix, postronium oxidation by proton centers on the surface of an aluminosilicate catalyst). The ways, new in the main, are revealed to study the properties of the surface by the technique of monochromatic positron beams of low energy

Speech overlap detection in a two-pass speaker diarization system

NARCIS (Netherlands)

Huijbregts, M.A.H.; Leeuwen, D.A. van; Jong, F. M. G de

2009-01-01

In this paper we present the two-pass speaker diarization system that we developed for the NIST RT09s evaluation. In the first pass of our system a model for speech overlap detection is gen- erated automatically. This model is used in two ways to reduce the diarization errors due to overlapping

Speech overlap detection in a two-pass speaker diarization system

NARCIS (Netherlands)

Huijbregts, M.; Leeuwen, D.A. van; Jong, F.M.G. de

2009-01-01

In this paper we present the two-pass speaker diarization system that we developed for the NIST RT09s evaluation. In the first pass of our system a model for speech overlap detection is generated automatically. This model is used in two ways to reduce the diarization errors due to overlapping

Effects of structure of fatty acid collectors on the adsorption of fluorapatite (0 0 1) surface: A first-principles calculations

Science.gov (United States)

Xie, Jun; Li, Xianhai; Mao, Song; Li, Longjiang; Ke, Baolin; Zhang, Qin

2018-06-01

Effects of carbon chain length, carbon chain isomerism, Cdbnd C double bonds number on fatty acid adsorption on FAP (0 0 1) surface have been investigated based on DFT. The results revealed that fatty acid collector can form stable adsorption configuration at Ca1 (surf) site. Chemical adsorption was formed between O (mole) of fatty acid collector and the Ca1 (surf) of fluorapatite (0 0 1) surface; hydrogen bond adsorption was formed between the H (mole) of fatty acid and the O (surf) of-[PO4]- of FAP (0 0 1) surface. Fatty acid collectors and FAP (0 0 1) surface are bonding by means of the hybridization of O (mole) 2p and Ca (surf) 4d orbitals, H (mole) 1s and O (surf) 2p orbital. The analysis of adsorption energy, DOS, electron density, Mulliken charge population and Mulliken bond population revealed that with the carbon chain growing within certain limits, the absolute value of the adsorption energy and the overlapping area between the DOS curve of O (mole) and Ca (surf) was greater, while that of H (mole) 1s and O (surf) 2p basically remained unchanged. As Cdbnd C double bonds of fatty acids increased within certain limits, the adsorption energy and the overlapping area between the state density curve of O (mole) and Ca (surf), H (mole) and O (surf) basically remained unchanged. The substituent groups of fatty acid changed, the absolute value of the adsorption energy and the overlapping area between the state density curve had a major change. The influence of fatty acids adsorption on FAP (0 0 1) surface depends mainly on the interaction between O (mole) and Ca (surf).