WorldWideScience

Sample records for stable surface structure

  1. Structure of stable degeneration of K3 surfaces into pairs of rational elliptic surfaces

    OpenAIRE

    Kimura, Yusuke

    2018-01-01

    F-theory/heterotic duality is formulated in the stable degeneration limit of a K3 fibration on the F-theory side. In this note, we analyze the structure of the stable degeneration limit. We discuss whether stable degeneration exists for pairs of rational elliptic surfaces. We demonstrate that, when two rational elliptic surfaces have an identical complex structure, stable degeneration always exists. We provide an equation that systematically describes the stable degeneration of a K3 surface i...

  2. Structure of stable degeneration of K3 surfaces into pairs of rational elliptic surfaces

    Science.gov (United States)

    Kimura, Yusuke

    2018-03-01

    F-theory/heterotic duality is formulated in the stable degeneration limit of a K3 fibration on the F-theory side. In this note, we analyze the structure of the stable degeneration limit. We discuss whether stable degeneration exists for pairs of rational elliptic surfaces. We demonstrate that, when two rational elliptic surfaces have an identical complex structure, stable degeneration always exists. We provide an equation that systematically describes the stable degeneration of a K3 surface into a pair of isomorphic rational elliptic surfaces. When two rational elliptic surfaces have different complex structures, whether their sum glued along a smooth fiber admits deformation to a K3 surface can be determined by studying the structure of the K3 lattice. We investigate the lattice theoretic condition to determine whether a deformation to a K3 surface exists for pairs of extremal rational elliptic surfaces. In addition, we discuss the configurations of singular fibers under stable degeneration. The sum of two isomorphic rational elliptic surfaces glued together admits a deformation to a K3 surface, the singular fibers of which are twice that of the rational elliptic surface. For special situations, singular fibers of the resulting K3 surface collide and they are enhanced to a fiber of another type. Some K3 surfaces become attractive in these situations. We determine the complex structures and the Weierstrass forms of these attractive K3 surfaces. We also deduce the gauge groups in F-theory compactifications on these attractive K3 surfaces times a K3. E 6, E 7, E 8, SU(5), and SO(10) gauge groups arise in these compactifications.

  3. TGP, an extremely stable, non-aggregating fluorescent protein created by structure-guided surface engineering

    OpenAIRE

    Close, Devin W.; Don Paul, Craig; Langan, Patricia S.; Wilce, Matthew C.J.; Traore, Daouda A.K.; Halfmann, Randal; Rocha, Reginaldo C.; Waldo, Geoffery S.; Payne, Riley J.; Rucker, Joseph B.; Prescott, Mark; Bradbury, Andrew R.M.

    2015-01-01

    In this paper we describe the engineering and X-ray crystal structure of Thermal Green Protein (TGP), an extremely stable, highly soluble, non-aggregating green fluorescent protein. TGP is a soluble variant of the fluorescent protein eCGP123, which despite being highly stable, has proven to be aggregation-prone. The X-ray crystal structure of eCGP123, also determined within the context of this paper, was used to carry out rational surface engineering to improve its solubility, leading to TGP....

  4. TGP, an extremely stable, non-aggregating fluorescent protein created by structure-guided surface engineering

    Science.gov (United States)

    Close, Devin W.; Don Paul, Craig; Langan, Patricia S.; Wilce, Matthew C.J.; Traore, Daouda A.K.; Halfmann, Randal; Rocha, Reginaldo C.; Waldo, Geoffery S.; Payne, Riley J.; Rucker, Joseph B.; Prescott, Mark; Bradbury, Andrew R.M.

    2014-01-01

    In this paper we describe the engineering and X-ray crystal structure of Thermal Green Protein (TGP), an extremely stable, highly soluble, non-aggregating green fluorescent protein. TGP is a soluble variant of the fluorescent protein eCGP123, which despite being highly stable, has proven to be aggregation-prone. The X-ray crystal structure of eCGP123, also determined within the context of this paper, was used to carry out rational surface engineering to improve its solubility, leading to TGP. The approach involved simultaneously eliminating crystal lattice contacts while increasing the overall negative charge of the protein. Despite intentional disruption of lattice contacts and introduction of high entropy glutamate side chains, TGP crystallized readily in a number of different conditions and the X-ray crystal structure of TGP was determined to 1.9 Å resolution. The structural reasons for the enhanced stability of TGP and eCGP123 are discussed. We demonstrate the utility of using TGP as a fusion partner in various assays and significantly, in amyloid assays in which the standard fluorescent protein, EGFP, is undesirable because of aberrant oligomerization. PMID:25287913

  5. Effect of surface texture and structure on the development of stable fluvial armors

    Science.gov (United States)

    Bertin, Stephane; Friedrich, Heide

    2018-04-01

    Stable fluvial armors are found in river systems under conditions of partial sediment transport and limited sediment supply, a common occurrence in nature. Stable armoring is also readily recreated in experimental flumes. Initially, this bed stabilizing phenomenon was examined for different flow discharges and solely related to surface coarsening and bedload transport reduction. The models developed suggest a specific armor composition (i.e., texture) dependent on the parent bed material and formative discharge. Following developments in topographic remote sensing, recent research suggests that armor structure is an important control on bed stability and roughness. In this paper, replicated flume runs during which digital elevation models (DEMs) were collected from both exposed and flooded gravel beds are used to interpret armoring manifestations and to assess their replicability. A range of methodologies was used for the analysis, providing information on (i) surface grain size and orientation, (ii) bed-elevation distributions, (iii) the spatial coherence of the elevations at the grain-scale, (iv) surface slope and aspect, (v) grain imbrication and (vi) the spatial variability in DEM properties. The bed-surface topography was found to be more responsive than bed-material size to changes in flow strength. Our experimental results also provide convincing evidence that gravel-beds' response to water-work during parallel degradation is unique (i.e., replicable) given the formative parameters. Based on this finding, relationships between the armors' properties and formative parameters are proposed, and are supported by adding extensive data from previous research.

  6. Thermal green protein, an extremely stable, nonaggregating fluorescent protein created by structure-guided surface engineering.

    Science.gov (United States)

    Close, Devin W; Paul, Craig Don; Langan, Patricia S; Wilce, Matthew C J; Traore, Daouda A K; Halfmann, Randal; Rocha, Reginaldo C; Waldo, Geoffery S; Payne, Riley J; Rucker, Joseph B; Prescott, Mark; Bradbury, Andrew R M

    2015-07-01

    In this article, we describe the engineering and X-ray crystal structure of Thermal Green Protein (TGP), an extremely stable, highly soluble, non-aggregating green fluorescent protein. TGP is a soluble variant of the fluorescent protein eCGP123, which despite being highly stable, has proven to be aggregation-prone. The X-ray crystal structure of eCGP123, also determined within the context of this paper, was used to carry out rational surface engineering to improve its solubility, leading to TGP. The approach involved simultaneously eliminating crystal lattice contacts while increasing the overall negative charge of the protein. Despite intentional disruption of lattice contacts and introduction of high entropy glutamate side chains, TGP crystallized readily in a number of different conditions and the X-ray crystal structure of TGP was determined to 1.9 Å resolution. The structural reasons for the enhanced stability of TGP and eCGP123 are discussed. We demonstrate the utility of using TGP as a fusion partner in various assays and significantly, in amyloid assays in which the standard fluorescent protein, EGFP, is undesirable because of aberrant oligomerization. © 2014 Wiley Periodicals, Inc.

  7. Structure of acid-stable carmine.

    Science.gov (United States)

    Sugimoto, Naoki; Kawasaki, Yoko; Sato, Kyoko; Aoki, Hiromitsu; Ichi, Takahito; Koda, Takatoshi; Yamazaki, Takeshi; Maitani, Tamio

    2002-02-01

    Acid-stable carmine has recently been distributed in the U.S. market because of its good acid stability, but it is not permitted in Japan. We analyzed and determined the structure of the major pigment in acid-stable carmine, in order to establish an analytical method for it. Carminic acid was transformed into a different type of pigment, named acid-stable carmine, through amination when heated in ammonia solution. The features of the structure were clarified using a model compound, purpurin, in which the orientation of hydroxyl groups on the A ring of the anthraquinone skeleton is the same as that of carminic acid. By spectroscopic means and the synthesis of acid-stable carmine and purpurin derivatives, the structure of the major pigment in acid-stable carmine was established as 4-aminocarminic acid, a novel compound.

  8. Fabrication and characterization of stable superhydrophobic surface with good friction-reducing performance on Al foil

    Energy Technology Data Exchange (ETDEWEB)

    Li, Peipei [Key Laboratory of Ministry of Education for Special Functional Materials, Henan University, Kaifeng 475004 (China); Chen, Xinhua, E-mail: xuc0374@hotmail.com [College of Chemistry and Chemical Engineering, Xuchang University, Xuchang 461000 (China); Yang, Guangbin; Yu, Laigui [Key Laboratory of Ministry of Education for Special Functional Materials, Henan University, Kaifeng 475004 (China); Zhang, Pingyu, E-mail: pingyu@henu.edu.cn [Key Laboratory of Ministry of Education for Special Functional Materials, Henan University, Kaifeng 475004 (China)

    2014-05-01

    Graphical abstract: A lotus-leaf-like hierarchical structure was successfully created on Al foil by a facile three-step solution–immersion method. As-obtained etched-immersed Al/STA rough surface contains interconnected convex–concave micro-structure and uniformly distributed nano-sheets that endow the surface with excellent superhydrophobicity (WCA: 164.2°; WSA: below 5°). Besides, the as-prepared etched-immersed Al/STA superhydrophobic surface on Al foil exhibits good friction-reducing ability and stable superhydrophobicity. - Highlights: • A stable superhydrophobic surface was created on aluminum foil by a facile three-step solution–immersion method. • A lotus-leaf-like hierarchical structure consists of interconnected convex–concave micro-structure and uniformly distributed nano-sheets has been constructed on the aluminum surface. • The superhydrophobic surfaces on aluminum substrate showing effective friction-reducing performance and self-cleaning ability. - Abstract: A lotus-leaf-like hierarchical structure with superhydrophobicity was created on Al foil by a facile three-step solution–immersion method involving etching in hydrochloric acid solution and immersing in hot water as well as surface-modification by stearic acid (denoted as STA). As-prepared etched-immersed Al/STA rough surface was characterized by means of scanning electron microscopy and X-ray photoelectron spectroscopy. Moreover, the water contact angles and water sliding angles of as-prepared etched-immersed Al/STA rough surface were measured, and the friction-reducing performance and self-cleaning ability of the as-prepared surface were also evaluated. Results indicate that the etched-immersed Al/STA rough surface consists of interconnected convex–concave micro-structure and uniformly distributed nano-sheets. Besides, it exhibits stable superhydrophobicity and good friction-reducing ability. Namely, it has a contact angle of water as high as 164.2° and a water sliding

  9. Fabrication and characterization of stable superhydrophobic surface with good friction-reducing performance on Al foil

    International Nuclear Information System (INIS)

    Li, Peipei; Chen, Xinhua; Yang, Guangbin; Yu, Laigui; Zhang, Pingyu

    2014-01-01

    Graphical abstract: A lotus-leaf-like hierarchical structure was successfully created on Al foil by a facile three-step solution–immersion method. As-obtained etched-immersed Al/STA rough surface contains interconnected convex–concave micro-structure and uniformly distributed nano-sheets that endow the surface with excellent superhydrophobicity (WCA: 164.2°; WSA: below 5°). Besides, the as-prepared etched-immersed Al/STA superhydrophobic surface on Al foil exhibits good friction-reducing ability and stable superhydrophobicity. - Highlights: • A stable superhydrophobic surface was created on aluminum foil by a facile three-step solution–immersion method. • A lotus-leaf-like hierarchical structure consists of interconnected convex–concave micro-structure and uniformly distributed nano-sheets has been constructed on the aluminum surface. • The superhydrophobic surfaces on aluminum substrate showing effective friction-reducing performance and self-cleaning ability. - Abstract: A lotus-leaf-like hierarchical structure with superhydrophobicity was created on Al foil by a facile three-step solution–immersion method involving etching in hydrochloric acid solution and immersing in hot water as well as surface-modification by stearic acid (denoted as STA). As-prepared etched-immersed Al/STA rough surface was characterized by means of scanning electron microscopy and X-ray photoelectron spectroscopy. Moreover, the water contact angles and water sliding angles of as-prepared etched-immersed Al/STA rough surface were measured, and the friction-reducing performance and self-cleaning ability of the as-prepared surface were also evaluated. Results indicate that the etched-immersed Al/STA rough surface consists of interconnected convex–concave micro-structure and uniformly distributed nano-sheets. Besides, it exhibits stable superhydrophobicity and good friction-reducing ability. Namely, it has a contact angle of water as high as 164.2° and a water sliding

  10. Exploring Scintillometry in the Stable Atmospheric Surface Layer

    NARCIS (Netherlands)

    Hartogensis, O.K.

    2006-01-01

    The main objective of this thesis is to investigate observation methods of heat and momentum exchange and key variables that characterise turbulence in the atmospheric stable surface layer (SSL), a layer defined as the lower part of the stable boundary layer (SBL) where surface fluxes do not change

  11. Surface Passivation for 3-5 Semiconductor Processing: Stable Gallium Sulphide Films by MOCVD

    Science.gov (United States)

    Macinnes, Andrew N.; Jenkins, Phillip P.; Power, Michael B.; Kang, Soon; Barron, Andrew R.; Hepp, Aloysius F.; Tabib-Azar, Massood

    1994-01-01

    Gallium sulphide (GaS) has been deposited on GaAs to form stable, insulating, passivating layers. Spectrally resolved photoluminescence and surface recombination velocity measurements indicate that the GaS itself can contribute a significant fraction of the photoluminescence in GaS/GaAs structures. Determination of surface recombination velocity by photoluminescence is therefore difficult. By using C-V analysis of metal-insulator-semiconductor structures, passivation of the GaAs with GaS films is quantified.

  12. Structure and optical properties of water covered Cu(110) surfaces

    International Nuclear Information System (INIS)

    Baghbanpourasl, A.

    2014-01-01

    In this thesis structural and optical properties of the water covered Cu(110) surface is studied using density functional theory within independent particle approximation. Several stable adsorption structures are studied such as water clusters (monomer, dimer, trimer, tetramer and pentamer), different hexagonal monolayers, partially dissociated water monolayers and three different types of chains among them a chain that consists of pentagon rings. For a copper surface in contact with water vapor, the energetically stable H 2 O/OH adsorbed structures are compared thermodynamically using adsorption free energy (change of free energy due to adsorption). Several phase diagrams with respect to temperature and pressure are calculated. It is found that among the large number of energetically stable structures (i.e. structures with positive adsorption energy ) only limited number of them are thermodynamically stable. These thermodynamically stable structures are the class of almost energetically degenerate hexagonal overlayers, one type of partially dissociated water structure that contains Bjerrum defect in the hydrogen bond network and pentagon chain. Since hydrogen atoms are light weight their vibrational effects can be considerable. Zero point vibration decreases the adsorption energy up to 0.1 eV and free energy of adsorbed molecules arising from vibrational degree of freedom can go up to -0.2 eV per adsorbed molecule at 500 Kelvin. However zero point energy and vibrational free energy of adsorbed molecules do not alter relative stability of the adsorbed structures. To account for the long range van der Waals interactions, a semi-empirical scheme is applied. Reflectance Anisotropy Spectroscopy (RAS) is a fast and non destructive optical method that can be used to prob the surface in different conditions such as vacuum and electro-chemical environment. Elasto-optic coeficients of bulk are calculated from first principles and the change of the RA spectrum of the bare Cu

  13. Surface engineered porous silicon for stable, high performance electrochemical supercapacitors

    Science.gov (United States)

    Oakes, Landon; Westover, Andrew; Mares, Jeremy W.; Chatterjee, Shahana; Erwin, William R.; Bardhan, Rizia; Weiss, Sharon M.; Pint, Cary L.

    2013-10-01

    Silicon materials remain unused for supercapacitors due to extreme reactivity of silicon with electrolytes. However, doped silicon materials boast a low mass density, excellent conductivity, a controllably etched nanoporous structure, and combined earth abundance and technological presence appealing to diverse energy storage frameworks. Here, we demonstrate a universal route to transform porous silicon (P-Si) into stable electrodes for electrochemical devices through growth of an ultra-thin, conformal graphene coating on the P-Si surface. This graphene coating simultaneously passivates surface charge traps and provides an ideal electrode-electrolyte electrochemical interface. This leads to 10-40X improvement in energy density, and a 2X wider electrochemical window compared to identically-structured unpassivated P-Si. This work demonstrates a technique generalizable to mesoporous and nanoporous materials that decouples the engineering of electrode structure and electrochemical surface stability to engineer performance in electrochemical environments. Specifically, we demonstrate P-Si as a promising new platform for grid-scale and integrated electrochemical energy storage.

  14. Surface engineered porous silicon for stable, high performance electrochemical supercapacitors

    Science.gov (United States)

    Oakes, Landon; Westover, Andrew; Mares, Jeremy W.; Chatterjee, Shahana; Erwin, William R.; Bardhan, Rizia; Weiss, Sharon M.; Pint, Cary L.

    2013-01-01

    Silicon materials remain unused for supercapacitors due to extreme reactivity of silicon with electrolytes. However, doped silicon materials boast a low mass density, excellent conductivity, a controllably etched nanoporous structure, and combined earth abundance and technological presence appealing to diverse energy storage frameworks. Here, we demonstrate a universal route to transform porous silicon (P-Si) into stable electrodes for electrochemical devices through growth of an ultra-thin, conformal graphene coating on the P-Si surface. This graphene coating simultaneously passivates surface charge traps and provides an ideal electrode-electrolyte electrochemical interface. This leads to 10–40X improvement in energy density, and a 2X wider electrochemical window compared to identically-structured unpassivated P-Si. This work demonstrates a technique generalizable to mesoporous and nanoporous materials that decouples the engineering of electrode structure and electrochemical surface stability to engineer performance in electrochemical environments. Specifically, we demonstrate P-Si as a promising new platform for grid-scale and integrated electrochemical energy storage. PMID:24145684

  15. Dual-band frequency selective surface with large band separation and stable performance

    Science.gov (United States)

    Zhou, Hang; Qu, Shao-Bo; Peng, Wei-Dong; Lin, Bao-Qin; Wang, Jia-Fu; Ma, Hua; Zhang, Jie-Qiu; Bai, Peng; Wang, Xu-Hua; Xu, Zhuo

    2012-05-01

    A new technique of designing a dual-band frequency selective surface with large band separation is presented. This technique is based on a delicately designed topology of L- and Ku-band microwave filters. The two band-pass responses are generated by a capacitively-loaded square-loop frequency selective surface and an aperture-coupled frequency selective surface, respectively. A Faraday cage is located between the two frequency selective surface structures to eliminate undesired couplings. Based on this technique, a dual-band frequency selective surface with large band separation is designed, which possesses large band separation, high selectivity, and stable performance under various incident angles and different polarizations.

  16. Dual-band frequency selective surface with large band separation and stable performance

    International Nuclear Information System (INIS)

    Zhou Hang; Qu Shao-Bo; Lin Bao-Qin; Wang Jia-Fu; Ma Hua; Zhang Jie-Qiu; Peng Wei-Dong; Bai Peng; Wang Xu-Hua; Xu Zhuo

    2012-01-01

    A new technique of designing a dual-band frequency selective surface with large band separation is presented. This technique is based on a delicately designed topology of L- and Ku-band microwave filters. The two band-pass responses are generated by a capacitively-loaded square-loop frequency selective surface and an aperture-coupled frequency selective surface, respectively. A Faraday cage is located between the two frequency selective surface structures to eliminate undesired couplings. Based on this technique, a dual-band frequency selective surface with large band separation is designed, which possesses large band separation, high selectivity, and stable performance under various incident angles and different polarizations. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  17. Dynamics and control of twisting bi-stable structures

    Science.gov (United States)

    Arrieta, Andres F.; van Gemmeren, Valentin; Anderson, Aaron J.; Weaver, Paul M.

    2018-02-01

    Compliance-based morphing structures have the potential to offer large shape adaptation, high stiffness and low weight, while reducing complexity, friction, and scalability problems of mechanism based systems. A promising class of structure that enables these characteristics are multi-stable structures given their ability to exhibit large deflections and rotations without the expensive need for continuous actuation, with the latter only required intermittently. Furthermore, multi-stable structures exhibit inherently fast response due to the snap-through instability governing changes between stable states, enabling rapid configuration switching between the discrete number of programmed shapes of the structure. In this paper, the design and utilisation of the inherent nonlinear dynamics of bi-stable twisting I-beam structures for actuation with low strain piezoelectric materials is presented. The I-beam structure consists of three compliant components assembled into a monolithic single element, free of moving parts, and showing large deflections between two stable states. Finite element analysis is utilised to uncover the distribution of strain across the width of the flange, guiding the choice of positioning for piezoelectric actuators. In addition, the actuation authority is maximised by calculating the generalised coupling coefficient for different positions of the piezoelectric actuators. The results obtained are employed to tailor and test I-beam designs exhibiting desired large deflection between stable states, while still enabling the activation of snap-through with the low strain piezoelectric actuators. To this end, the dynamic response of the I-beams to piezoelectric excitation is investigated, revealing that resonant excitations are insufficient to dynamically trigger snap-through. A novel bang-bang control strategy, which exploits the nonlinear dynamics of the structure successfully triggers both single and constant snap-through between the stable states

  18. Unraveling the oxygen vacancy structures at the reduced Ce O2(111 ) surface

    Science.gov (United States)

    Han, Zhong-Kang; Yang, Yi-Zhou; Zhu, Beien; Ganduglia-Pirovano, M. Verónica; Gao, Yi

    2018-03-01

    Oxygen vacancies at ceria (Ce O2 ) surfaces play an essential role in catalytic applications. However, during the past decade, the near-surface vacancy structures at Ce O2(111 ) have been questioned due to the contradictory results from experiments and theoretical simulations. Whether surface vacancies agglomerate, and which is the most stable vacancy structure for varying vacancy concentration and temperature, are being heatedly debated. By combining density functional theory calculations and Monte Carlo simulations, we proposed a unified model to explain all conflicting experimental observations and theoretical results. We find a novel trimeric vacancy structure which is more stable than any other one previously reported, which perfectly reproduces the characteristics of the double linear surface oxygen vacancy clusters observed by STM. Monte Carlo simulations show that at low temperature and low vacancy concentrations, vacancies prefer subsurface sites with a local (2 × 2) ordering, whereas mostly linear surface vacancy clusters do form with increased temperature and degree of reduction. These results well explain the disputes about the stable vacancy structure and surface vacancy clustering at Ce O2(111 ) , and provide a foundation for the understanding of the redox and catalytic chemistry of metal oxides.

  19. Importance of surface structure on dissolution of fluorite

    DEFF Research Database (Denmark)

    Godinho, Jose; Piazolo, Sandra; Balic Zunic, Tonci

    2014-01-01

    forming the initial surface and its inclination to the closest stable planes, which are specific for each surface orientation. During an initial dissolution regime dissolution rates decrease significantly, even though the total surface area increases. During a second dissolution regime, some surfaces...... by the relative stability of the planes and type of edges that constitute a surface needs to be considered. Significant differences between dissolution rates calculated based on surface area alone, and based on surface reactivity are expected for materials with the fluorite structure....

  20. Electronic structure of incident carbon ions on a graphite surface

    International Nuclear Information System (INIS)

    Kiuchi, Masato; Takeuchi, Takae; Yamamoto, Masao.

    1997-01-01

    The electronic structure of an incident carbon ion on a graphite surface is discussed on the basis of ab initio molecular orbital calculations. A carbon cation forms a covalent bond with the graphite, and a carbon nonion is attracted to the graphite surface through van der Waals interaction. A carbon anion has no stable state on a graphite surface. The charge effects of incident ions become clear upon detailed examination of the electronic structure. (author)

  1. Novel structures of oxygen adsorbed on a Zr(0001) surface predicted from first principles

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Bo [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Beijing computational science research center, Beijing,100084 (China); Wang, Jianyun [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Lv, Jian [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); College of Materials Science and Engineering, Jilin University, Changchun, 130012 (China); Gao, Xingyu [Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing, 100088 (China); CAEP Software Center for High Performance Numerical Simulation, Beijing, 100088 (China); Zhao, Yafan [CAEP Software Center for High Performance Numerical Simulation, Beijing, 100088 (China); Wang, Yanchao, E-mail: wyc@calypso.cn [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Beijing computational science research center, Beijing,100084 (China); College of Materials Science and Engineering, Jilin University, Changchun, 130012 (China); Song, Haifeng, E-mail: song_haifeng@iapcm.ac.cn [Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing, 100088 (China); CAEP Software Center for High Performance Numerical Simulation, Beijing, 100088 (China); Ma, Yanming [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Beijing computational science research center, Beijing,100084 (China)

    2017-01-30

    Highlights: • Two stable structures of O adsorbed on a Zr(0001) surface are predicted with SLAM. • A stable structure of O adsorbed on a Zr(0001) surface is proposed with MLAM. • The calculated work function change is agreement with experimental value. - Abstract: The structures of O atoms adsorbed on a metal surface influence the metal properties significantly. Thus, studying O chemisorption on a Zr surface is of great interest. We investigated O adsorption on a Zr(0001) surface using our newly developed structure-searching method combined with first-principles calculations. A novel structural prototype with a unique combination of surface face-centered cubic (SFCC) and surface hexagonal close-packed (SHCP) O adsorption sites was predicted using a single-layer adsorption model (SLAM) for a 0.5 and 1.0 monolayer (ML) O coverage. First-principles calculations based on the SLAM revealed that the new predicted structures are energetically favorable compared with the well-known SFCC structures for a low O coverage (0.5 and 1.0 ML). Furthermore, on basis of our predicted SFCC + SHCP structures, a new structure within multi-layer adsorption model (MLAM) was proposed to be more stable at the O coverage of 1.0 ML, in which adsorbed O atoms occupy the SFCC + SHCP sites and the substitutional octahedral sites. The calculated work functions indicate that the SFCC + SHCP configuration has the lowest work function of all known structures at an O coverage of 0.5 ML within the SLAM, which agrees with the experimental trend of work function with variation in O coverage.

  2. Stable Structures for Distributed Applications

    OpenAIRE

    Eugen DUMITRASCU; Ion IVAN

    2008-01-01

    For distributed applications, we define the linear, tree and graph structure types with different variants and modalities to aggregate them. The distributed applications have assigned structures that through their characteristics influence the costs of stages for developing cycle and the costs for exploitation, transferred to each user. We also present the quality characteristics of a structure for a stable application, which is focused on stability characteristic. For that characteristic we ...

  3. High precision and stable structures for particle detectors

    CERN Document Server

    Da Mota Silva, S; Hauviller, Claude

    1999-01-01

    The central detectors used in High Energy Physics Experiments require the use of light and stable structures capable of supporting delicate and precise radiation detection elements. These structures need to be highly stable under environmental conditions where external vibrations, high radiation levels, temperature and humidity gradients should be taken into account. Their main design drivers are high dimension and dynamic stability, high stiffness to mass ratio and large radiation length. For most applications, these constraints lead us to choose Carbon Fiber Reinforced Plastics ( CFRP) as structural element. The construction of light and stable structures with CFRP for these applications can be achieved by careful design engineering and further confirmation at the prototyping phase. However, the experimental environment can influence their characteristics and behavior. In this case, theuse of adaptive structures could become a solution for this problem. We are studying structures in CFRP with bonded piezoel...

  4. Long-term stable surface modification of DLC coatings

    Directory of Open Access Journals (Sweden)

    Gotzmann Gaby

    2017-09-01

    Full Text Available The use of coatings based on diamond like carbon (DLC for medical applications was established during the last years. Main advantages of these coatings are its high hardness, good wear and friction behavior and its biocompatibility. Using low-energy electron-beam treatment, we addressed the surface modification of DLC coatings. The aim was to generate new biofunctional surface characteristics that are long-term stable.

  5. Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.

    Science.gov (United States)

    Dror, Adi; Kanteev, Margarita; Kagan, Irit; Gihaz, Shalev; Shahar, Anat; Fishman, Ayelet

    2015-11-01

    Enzymatic production of biodiesel by transesterification of triglycerides and alcohol, catalyzed by lipases, offers an environmentally friendly and efficient alternative to the chemically catalyzed process while using low-grade feedstocks. Methanol is utilized frequently as the alcohol in the reaction due to its reactivity and low cost. However, one of the major drawbacks of the enzymatic system is the presence of high methanol concentrations which leads to methanol-induced unfolding and inactivation of the biocatalyst. Therefore, a methanol-stable lipase is of great interest for the biodiesel industry. In this study, protein engineering was applied to substitute charged surface residues with hydrophobic ones to enhance the stability in methanol of a lipase from Geobacillus stearothermophilus T6. We identified a methanol-stable variant, R374W, and combined it with a variant found previously, H86Y/A269T. The triple mutant, H86Y/A269T/R374W, had a half-life value at 70 % methanol of 324 min which reflects an 87-fold enhanced stability compared to the wild type together with elevated thermostability in buffer and in 50 % methanol. This variant also exhibited an improved biodiesel yield from waste chicken oil compared to commercial Lipolase 100L® and Novozyme® CALB. Crystal structures of the wild type and the methanol-stable variants provided insights regarding structure-stability correlations. The most prominent features were the extensive formation of new hydrogen bonds between surface residues directly or mediated by structural water molecules and the stabilization of Zn and Ca binding sites. Mutation sites were also characterized by lower B-factor values calculated from the X-ray structures indicating improved rigidity.

  6. Influence of the atomic structure of crystal surfaces on the surface diffusion in medium temperature range

    International Nuclear Information System (INIS)

    Cousty, J.P.

    1981-12-01

    In this work, we have studied the influence of atomic structure of crystal surface on surface self-diffusion in the medium temperature range. Two ways are followed. First, we have measured, using a radiotracer method, the self-diffusion coefficient at 820 K (0.6 T melting) on copper surfaces both the structure and the cleanliness of which were stable during the experiment. We have shown that the interaction between mobile surface defects and steps can be studied through measurements of the anisotropy of surface self diffusion. Second, the behavior of an adatom and a surface vacancy is simulated via a molecular dynamics method, on several surfaces of a Lennard Jones crystal. An inventory of possible migration mechanisms of these surface defects has been drawn between 0.35 and 0.45 Tsub(m). The results obtained with both the methods point out the influence of the surface atomic structure in surface self-diffusion in the medium temperature range [fr

  7. Jealousy Graphs: Structure and Complexity of Decentralized Stable Matching

    Science.gov (United States)

    2013-01-01

    REPORT Jealousy Graphs: Structure and Complexity of Decentralized Stable Matching 14. ABSTRACT 16. SECURITY CLASSIFICATION OF: The stable matching...Franceschetti 858-822-2284 3. DATES COVERED (From - To) Standard Form 298 (Rev 8/98) Prescribed by ANSI Std. Z39.18 - Jealousy Graphs: Structure and...market. Using this structure, we are able to provide a ner analysis of the complexity of a subclass of decentralized matching markets. Jealousy

  8. DFT computations of the lattice constant, stable atomic structure and ...

    African Journals Online (AJOL)

    This paper presents the most stable atomic structure and lattice constant of Fullerenes (C60). FHI-aims DFT code was used to predict the stable structure and the computational lattice constant of C60. These were compared with known experimental structures and lattice constants of C60. The results obtained showed that ...

  9. Domain Structures in Nematic Liquid Crystals on a Polycarbonate Surface

    Directory of Open Access Journals (Sweden)

    Vasily F. Shabanov

    2013-08-01

    Full Text Available Alignment of nematic liquid crystals on polycarbonate films obtained with the use of solvents with different solvations is studied. Domain structures occurring during the growth on the polymer surface against the background of the initial thread-like or schlieren texture are demonstrated. It is established by optical methods that the domains are stable formations visualizing the polymer surface structures. In nematic droplets, the temperature-induced transition from the domain structure with two extinction bands to the structure with four bands is observed. This transition is shown to be caused by reorientation of the nematic director in the liquid crystal volume from the planar alignment to the homeotropic state with the pronounced radial configuration of nematic molecules on the surface. The observed textures are compared with different combinations of the volume LC orientations and the radial distribution of the director field and the disclination lines at the polycarbonate surface.

  10. Modelling the artic stable boundary layer and its coupling to the surface

    NARCIS (Netherlands)

    Steeneveld, G.J.; Wiel, van de B.J.H.; Holtslag, A.A.M.

    2006-01-01

    The impact of coupling the atmosphere to the surface energy balance is examined for the stable boundary layer, as an extension of the first GABLS (GEWEX Atmospheric Boundary-Layer Study) one-dimensional model intercomparison. This coupling is of major importance for the stable boundary-layer

  11. Macromolecular surface design: photopatterning of functional stable nitrile oxides.

    Science.gov (United States)

    Altintas, Ozcan; Glassner, Mathias; Rodriguez-Emmenegger, Cesar; Welle, Alexander; Trouillet, Vanessa; Barner-Kowollik, Christopher

    2015-05-04

    The efficient trapping of photogenerated thioaldehydes with functional shelf-stable nitrile oxides in a 1,3-dipolar cycloaddition is a novel and versatile photochemical strategy for polymer end-group functionalization and surface modification under mild and equimolar conditions. The modular ligation in solution was followed in detail by electrospray ionization mass spectrometry (ESI-MS). X-ray photoelectron spectroscopy (XPS) was employed to analyze the functionalized surfaces, whereas time-of-flight secondary-ion mass spectrometry (ToF-SIMS) confirmed the spatial control of the surface functionalization using a micropatterned shadow mask. Polymer brushes were grown from the surface in a spatially confined regime by surface-initiated atom transfer radical polymerization (SI-ATRP) as confirmed by TOF-SIMS, XPS as well as ellipsometry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Polyaniline hybridized surface defective ZnO nanorods with long-term stable photoelectrochemical activity

    International Nuclear Information System (INIS)

    Bera, Susanta; Khan, Hasmat; Biswas, Indranil; Jana, Sunirmal

    2016-01-01

    Highlights: • Polyaniline (PANI) hybridized ZnO nanorods was synthesized by solution method. • Surface defects were found in the nanorods. • The hybrid material exhibited an enhancement in visible light absorption. • A long-term stable photoelectrochemical activity of the material was found. • Advancement in the properties would be PANI hybridization and surface defects. - Abstract: We report surfactant/template free precursor solution based synthesis of polyaniline (PANI) hybridized surface defective ZnO nanorods by a two-step process. Initially, ZnO nanorods have been prepared at 95 °C, followed by hybridization (coating) of PANI onto the ZnO via in situ polymerization of aniline monomer, forming ZnO-PANI nanohybrid (ZP). The structural properties of ZP have been analyzed by X-ray diffraction (XRD) and transmission electron microscopic (TEM) studies. The presence of surface defects especially the oxygen vacancies in ZnO has been characterized by photoluminescence emission, high resolution TEM, X-ray photoelectron spectroscopy (XPS) and micro-Raman spectral measurements. The chemical interaction of PANI with ZnO has been examined by Fourier transform infrared (FTIR) and XPS analyses. A significant enhancement in visible absorption of ZP sample is found as evidenced from UV–vis diffused reflectance spectral study. BET nitrogen adsorption-desorption isotherm shows an improved textural property (pore size, pore volume) of ZP. Moreover, a long-term stable photoelectrochemical activity (PEC) of ZP is found compare to pristine ZnO. The synergic effect of PANI hybridization and the presence of surface defects in ZnO NRs can enhance the PEC by prolonging the recombination rate of photogenerated charge carriers. The effect can also provide large number of active sites to make electrolyte diffusion and mass transportation easier in the nanohybrid. This simple synthesis strategy can be adopted for PANI hybridization with different metal oxide semiconductors

  13. Polyaniline hybridized surface defective ZnO nanorods with long-term stable photoelectrochemical activity

    Energy Technology Data Exchange (ETDEWEB)

    Bera, Susanta; Khan, Hasmat [Sol-Gel Division, CSIR-Central Glass and Ceramic Research Institute (CSIR-CGCRI), 196 Raja S.C. Mullick Road, P.O. Jadavpur University, Kolkata 700 032, West Bengal (India); Biswas, Indranil [Materials Characterization and Instrumentation Division, CSIR-Central Glass and Ceramic Research Institute (CSIR-CGCRI), 196 Raja S.C. Mullick Road, P.O. Jadavpur University, Kolkata 700 032, West Bengal (India); Jana, Sunirmal, E-mail: sjana@cgcri.res.in [Sol-Gel Division, CSIR-Central Glass and Ceramic Research Institute (CSIR-CGCRI), 196 Raja S.C. Mullick Road, P.O. Jadavpur University, Kolkata 700 032, West Bengal (India)

    2016-10-15

    Highlights: • Polyaniline (PANI) hybridized ZnO nanorods was synthesized by solution method. • Surface defects were found in the nanorods. • The hybrid material exhibited an enhancement in visible light absorption. • A long-term stable photoelectrochemical activity of the material was found. • Advancement in the properties would be PANI hybridization and surface defects. - Abstract: We report surfactant/template free precursor solution based synthesis of polyaniline (PANI) hybridized surface defective ZnO nanorods by a two-step process. Initially, ZnO nanorods have been prepared at 95 °C, followed by hybridization (coating) of PANI onto the ZnO via in situ polymerization of aniline monomer, forming ZnO-PANI nanohybrid (ZP). The structural properties of ZP have been analyzed by X-ray diffraction (XRD) and transmission electron microscopic (TEM) studies. The presence of surface defects especially the oxygen vacancies in ZnO has been characterized by photoluminescence emission, high resolution TEM, X-ray photoelectron spectroscopy (XPS) and micro-Raman spectral measurements. The chemical interaction of PANI with ZnO has been examined by Fourier transform infrared (FTIR) and XPS analyses. A significant enhancement in visible absorption of ZP sample is found as evidenced from UV–vis diffused reflectance spectral study. BET nitrogen adsorption-desorption isotherm shows an improved textural property (pore size, pore volume) of ZP. Moreover, a long-term stable photoelectrochemical activity (PEC) of ZP is found compare to pristine ZnO. The synergic effect of PANI hybridization and the presence of surface defects in ZnO NRs can enhance the PEC by prolonging the recombination rate of photogenerated charge carriers. The effect can also provide large number of active sites to make electrolyte diffusion and mass transportation easier in the nanohybrid. This simple synthesis strategy can be adopted for PANI hybridization with different metal oxide semiconductors

  14. Stable Structures for Distributed Applications

    Directory of Open Access Journals (Sweden)

    Eugen DUMITRASCU

    2008-01-01

    Full Text Available For distributed applications, we define the linear, tree and graph structure types with different variants and modalities to aggregate them. The distributed applications have assigned structures that through their characteristics influence the costs of stages for developing cycle and the costs for exploitation, transferred to each user. We also present the quality characteristics of a structure for a stable application, which is focused on stability characteristic. For that characteristic we define the estimated measure indicators for a level. The influence of the factors of stability and the ways for increasing it are thus identified, and at the same time the costs of development stages, the costs of usage and the costs of maintenance to be keep on between limits that assure the global efficiency of application. It is presented the base aspects for distributed applications: definition, peculiarities and importance. The aspects for the development cycle of distributed application are detailed. In this article, we alongside give the mechanisms for building the defined structures and analyze the complexity of the defined structures for a distributed application of a virtual store.

  15. New insight in the structural features of haloadaptation in α-amylases from halophilic Archaea following homology modeling strategy: folded and stable conformation maintained through low hydrophobicity and highly negative charged surface

    Science.gov (United States)

    Zorgani, Mohamed Amine; Patron, Kevin; Desvaux, Mickaël

    2014-07-01

    Proteins from halophilic archaea, which live in extreme saline conditions, have evolved to remain folded, active and stable at very high ionic strengths. Understanding the mechanism of haloadaptation is the first step toward engineering of halostable biomolecules. Amylases are one of the main enzymes used in industry. Yet, no three-dimensional structure has been experimentally resolved for α-amylases from halophilic archaea. In this study, homology structure modeling of α-amylases from the halophilic archaea Haloarcula marismortui, Haloarcula hispanica, and Halalkalicoccus jeotgali were performed. The resulting models were subjected to energy minimization, evaluation, and structural analysis. Calculations of the amino acid composition, salt bridges and hydrophobic interactions were also performed and compared to a set of non-halophilic counterparts. It clearly appeared that haloarchaeal α-amylases exhibited lower propensities for helix formation and higher propensities for coil-forming regions. Furthermore, they could maintain a folded and stable conformation in high salt concentration through highly negative charged surface with over representation of acidic residues, especially Asp, and low hydrophobicity with increase of salt bridges and decrease in hydrophobic interactions on the protein surface. This study sheds some light on the stability of α-amylases from halophilic archaea and provides strong basis not only to understand haloadaptation mechanisms of proteins in microorganisms from hypersalines environments but also for biotechnological applications.

  16. Bioinspired Omnidirectional Self-Stable Reflectors with Multiscale Hierarchical Structures.

    Science.gov (United States)

    Han, Zhiwu; Mu, Zhengzhi; Li, Bo; Feng, Xiaoming; Wang, Ze; Zhang, Junqiu; Niu, Shichao; Ren, Luquan

    2017-08-30

    Structured surfaces, demonstrating various wondrous physicochemical performances, are ubiquitous phenomena in nature. Butterfly wings with impressive structural colors are an interesting example for multiscale hierarchical structures (MHSs). However, most natural structural colors are relatively unstable and highly sensitive to incident angles, which limit their potential practical applications to a certain extent. Here, we reported a bioinspired color reflector with omnidirectional reflective self-stable (ORS) properties, which is inspired by the wing scales of Papilio palinurus butterfly. Through experimental exploration and theoretical analysis, it was found that the vivid colors of such butterfly wings are structure-based and possess novel ORS properties, which attributes to the multiple optical actions between light and the complex structures coupling the inverse opal-like structures (IOSs) and stacked lamellar ridges (SLRs). On the basis of this, we designed and successfully fabricated the SiO 2 -based bioinspired color reflectors (BCRs) through a facile and effective biotemplate method. It was confirmed that the MHSs in biotemplate are inherited by the obtained SiO 2 -based BCRs. More importantly, the SiO 2 -based BCRs also demonstrated the similar ORS properties in a wide wavelength range. We forcefully anticipate that the reported MHS-based ORS performance discovered in butterfly wing scales here could offer new thoughts for scientists to solve unstable reflection issues in particular optical field. The involved biotemplate fabrication method offers a facile and effective strategy for fabricating functional nanomaterials or bioinspired nanodevices with 3D complex nanostructures, such as structured optical devices, displays, and optoelectronic equipment.

  17. Searching for Stable SinCn Clusters: Combination of Stochastic Potential Surface Search and Pseudopotential Plane-Wave Car-Parinello Simulated Annealing Simulations

    Directory of Open Access Journals (Sweden)

    Larry W. Burggraf

    2013-07-01

    Full Text Available To find low energy SinCn structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA. We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to more than a thousand stable isomers for each SinCn cluster. Among these, five to 10 of the lowest energy isomers were further optimized using B3LYP/cc-pVTZ method. We applied this method to SinCn (n = 4–12 clusters and found the lowest energy structures, most not previously reported. By analyzing the bonding patterns of low energy structures of each SinCn cluster, we observed that carbon segregations tend to form condensed conjugated rings while Si connects to unsaturated bonds at the periphery of the carbon segregation as single atoms or clusters when n is small and when n is large a silicon network spans over the carbon segregation region.

  18. Durable and mass producible polymer surface structures with different combinations of micro–micro hierarchy

    International Nuclear Information System (INIS)

    Jiang, Yu; Suvanto, Mika; Pakkanen, Tapani A

    2016-01-01

    Extensive studies have been performed with the aim of fabricating hierarchical surface structures inspired by nature. However, synthetic hierarchical structures have to sacrifice mechanical resistance to functionality by introducing finer scaled structures. Therefore, surfaces are less durable. Surface micro–micro hierarchy has been proven to be effective in replacing micro–nano hierarchy in the sense of superhydrophobicity. However, less attention has been paid to the combined micro–micro hierarchies with surface pillars and pits incorporated together. The fabrication of this type of hierarchy may be less straightforward, with the possibility of being a complicated multi-step process. In this study, we present a simple yet mass producible fabrication method for hierarchical structures with different combinations of surface pillars and pits. The fabrication was based on only one aluminum (Al) mold with sequential mountings. The fabricated structures exhibit high mechanical durability and structural stabilities with a normal load up to 100 kg. In addition, the theoretical estimation of the wetting state shows a promising way of stabilizing a water droplet on the surface pit structures with a more stable Cassie–Baxter state. (paper)

  19. Stable functionalization of germanium surface and its application in biomolecules immobilization

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Qi [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No.19A, Yuquan Road, Beijing 100049 (China); Xu, Baojian [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Ye, Lin [Sate Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No.19A, Yuquan Road, Beijing 100049 (China); Tang, Teng; Huang, Shanluo; Du, Xiaowei [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No.19A, Yuquan Road, Beijing 100049 (China); Bian, Xiaojun; Zhang, Jishen [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Di, Zengfeng, E-mail: zfdi@mail.sim.ac.cn [Sate Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Jin, Qinghui [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Zhao, Jianlong, E-mail: jlzhao@mail.sim.ac.cn [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China)

    2014-10-15

    Highlights: • An effective method to immobilize biomolecules on the functionalized Ge surface. • The surface of Ge was functionalized with 11-Mercaptoundecanoic acid (11-MUA). • Stable and uniform SAMs was obtained on Ge surface after 11-MUA treatment. • The functionalized Ge was employed as substrate for protein immobilization. • Paving the way of Ge for further applications in bioelectronics field. - Abstract: As a typical semiconductor material, germanium (Ge) has the potential to be utilized in microelectronics and bioelectronics. Herein, we present a simple and effective method to immobilize biomolecules on the surface of functionalized Ge. The surface oxide of Ge was removed with the pretreatment of hydrochloric acid and the Cl-terminated Ge reacted with 11-Mercaptoundecanoic acid (11-MUA). The surface of Ge was coated with 11-MUA self-assembled monolayers (SAMs) due to the bonding reaction between the sulfhydryl group of 11-MUA and Cl-terminated Ge. Furthermore, typical biomolecule, a green fluorescent protein was chosen to be immobilized on the surface of the functionalized Ge. Contact angle analysis, atomic force microscopy and X-ray photoelectron spectroscopy were used to study the characteristics including wettability, stability, roughness and component of the functionalized Ge, respectively. Fluorescence microscopy was utilized to indicate the efficiency of protein immobilization on the surface of the functionalized Ge. With these studies, stable and uniform functionalized monolayer was obtained on the surface of Ge after 11-MUA treatment and the functionalized Ge was effectively applied in protein immobilization. Furthermore, this study may pave the way for further applications such as the integration of bioelectronics and biosensors with the attractive semiconductor material-Ge in future work.

  20. Electromyographic activity and 6RM strength in bench press on stable and unstable surfaces.

    Science.gov (United States)

    Saeterbakken, Atle H; Fimland, Marius S

    2013-04-01

    The purpose of the study was to compare 6-repetition maximum (6RM) loads and muscle activity in bench press on 3 surfaces, namely, stable bench, balance cushion, and Swiss ball. Sixteen healthy, resistance-trained men (age 22.5 ± 2.0 years, stature 1.82 ± 6.6 m, and body mass 82.0 ± 7.8 kg) volunteered for 3 habituation/strength testing sessions and 1 experimental session. In randomized order on the 3 surfaces, 6RM strength and electromyographic activity of pectoralis major, deltoid anterior, biceps brachii, triceps brachii, rectus abdominis, oblique external and erector spinae were assessed. Relative to stable bench, the 6RM strength was approximately 93% for balance cushion (p ≤ 0.001) and approximately 92% for Swiss ball (p = 0.008); the pectoralis major electromyographic (EMG) activity was approximately 90% using the balance cushion (p = 0.080) and approximately 81% using Swiss ball (p = 0.006); the triceps EMG was approximately 79% using the balance cushion (p = 0.028) and approximately 69% using the Swiss ball (p = 0.002). Relative to balance cushion, the EMG activity in pectoralis, triceps, and erector spinae using Swiss ball was approximately 89% (p = 0.016), approximately 88% (p = 0.014) and approximately 80% (p = 0.020), respectively. In rectus abdominis, the EMG activity relative to Swiss ball was approximately 69% using stable bench (p = 0.042) and approximately 65% using the balance cushion (p = 0.046). Similar EMG activities between stable and unstable surfaces were observed for deltoid anterior, biceps brachii, and oblique external. In conclusion, stable bench press had greater 6RM strength and triceps and pectoralis EMG activity compared with the unstable surfaces. These findings have implications for athletic training and rehabilitation, because they demonstrate an inferior effect of unstable surfaces on muscle activation of prime movers and strength in bench press. If an unstable surface in bench press is desirable, a balance cushion should

  1. Realization of Multi-Stable Ground States in a Nematic Liquid Crystal by Surface and Electric Field Modification

    Science.gov (United States)

    Gwag, Jin Seog; Kim, Young-Ki; Lee, Chang Hoon; Kim, Jae-Hoon

    2015-06-01

    Owing to the significant price drop of liquid crystal displays (LCDs) and the efforts to save natural resources, LCDs are even replacing paper to display static images such as price tags and advertising boards. Because of a growing market demand on such devices, the LCD that can be of numerous surface alignments of directors as its ground state, the so-called multi-stable LCD, comes into the limelight due to the great potential for low power consumption. However, the multi-stable LCD with industrial feasibility has not yet been successfully performed. In this paper, we propose a simple and novel configuration for the multi-stable LCD. We demonstrate experimentally and theoretically that a battery of stable surface alignments can be achieved by the field-induced surface dragging effect on an aligning layer with a weak surface anchoring. The simplicity and stability of the proposed system suggest that it is suitable for the multi-stable LCDs to display static images with low power consumption and thus opens applications in various fields.

  2. Super-stable Poissonian structures

    International Nuclear Information System (INIS)

    Eliazar, Iddo

    2012-01-01

    In this paper we characterize classes of Poisson processes whose statistical structures are super-stable. We consider a flow generated by a one-dimensional ordinary differential equation, and an ensemble of particles ‘surfing’ the flow. The particles start from random initial positions, and are propagated along the flow by stochastic ‘wave processes’ with general statistics and general cross correlations. Setting the initial positions to be Poisson processes, we characterize the classes of Poisson processes that render the particles’ positions—at all times, and invariantly with respect to the wave processes—statistically identical to their initial positions. These Poisson processes are termed ‘super-stable’ and facilitate the generalization of the notion of stationary distributions far beyond the realm of Markov dynamics. (paper)

  3. Super-stable Poissonian structures

    Science.gov (United States)

    Eliazar, Iddo

    2012-10-01

    In this paper we characterize classes of Poisson processes whose statistical structures are super-stable. We consider a flow generated by a one-dimensional ordinary differential equation, and an ensemble of particles ‘surfing’ the flow. The particles start from random initial positions, and are propagated along the flow by stochastic ‘wave processes’ with general statistics and general cross correlations. Setting the initial positions to be Poisson processes, we characterize the classes of Poisson processes that render the particles’ positions—at all times, and invariantly with respect to the wave processes—statistically identical to their initial positions. These Poisson processes are termed ‘super-stable’ and facilitate the generalization of the notion of stationary distributions far beyond the realm of Markov dynamics.

  4. Comparison of the effects of an eight-week push-up program using stable versus unstable surfaces.

    Science.gov (United States)

    Chulvi-Medrano, Iván; Martínez-Ballester, Esteban; Masiá-Tortosa, Laura

    2012-12-01

    Recently, the trend among physical training and rehabilitation professionals is the use of resistance exercise on unstable equipment in order to increase the effort of the agonist and stabilizing muscles. It is unknown if performing exercises on unstable surfaces provides a greater training stimulus as compared to training on a stable training surface. Therefore, the purpose of this research was to compare the effect that push-up training on stable and unstable surfaces had on strength performance in healthy young men. Thirty subjects with experience in resistance training participated in push-up training two days per week for eight weeks on one of three different surfaces: the floor (Tp), the T-Bow® (TBp) or the BOSU® (Bp). Strength, as measured by one repetition maximum (1-RM) and muscle endurance, as measured by number of pushups performed did not improve significantly (p>0.05) for any of the intervention groups. The addition of unstable surfaces in push-up training does not provide greater improvement in muscular strength and endurance than push up training performed on a stable surface in young men. 3b.

  5. First-principles study of native defects in bulk Sm2CuO4 and its (001) surface structure

    Science.gov (United States)

    Zheng, Fubao; Zhang, Qinfang; Meng, Qiangqiang; Wang, Baolin; Song, Fengqi; Yunoki, Seiji; Wang, Guanghou

    2018-04-01

    Using the first-principles calculations based on the density functional theory, we have studied the bulk defect formation and surface structures of Sm2CuO4. To ensure the accuracy of calculations, the spin order of Cu atoms is rechecked and it is the well-known nearest-neighbor antiferromagnetic ground state, which can be attributed to the hole-mediated superexchange through the strong pdσ hybridization interaction between Cu dx2-y2 electron and the neighboring oxygen px (or py) electron. Under each present experimental condition, the Sm vacancy has a very high formation energy and is unlikely to be stable. The Cu vacancy is a shallow acceptor, which is preferred under O-rich conditions, whereas the O vacancy is a donor and energetically favorable under O-poor conditions. To construct its (001) surface structure, CuOO, CuO, and Cu terminated surfaces are found to be most favorable under different experimental conditions. The stable surface structures are always accompanied by significant surface atomic reconstructions and electron charge redistribution, which are intimately correlated to each other.

  6. Structural, electronic and magnetic properties of Mn{sub 3}N{sub 2}(0 0 1) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero-Sánchez, J., E-mail: guerrero@ifuap.buap.mx [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570 (Mexico); Mandru, Andrada-Oana; Wang, Kangkang [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Takeuchi, Noboru [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autónoma de México, Apartado Postal 14, Ensenada, Baja California, Codigo Postal 22800 (Mexico); Cocoletzi, Gregorio H. [Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570 (Mexico); Smith, Arthur R. [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States)

    2015-11-15

    Graphical abstract: - Abstract: Spin-polarized first-principles total energy calculations have been performed to study the structural, electronic and magnetic properties of Mn{sub 3}N{sub 2}(0 0 1) surfaces. It is found that three surface terminations are energetically stable, in agreement with previous scanning tunneling microscopy experiments that have found three different electronic contrasts in their images. It is also found that in all three cases, the topmost layer has a MnN stoichiometry. Density of states calculations show a metallic behavior for all the stable structures with the most important contribution close to the Fermi level coming from the Mn-d orbitals. Our Tersoff–Hamann scanning tunneling microscopy simulations are in good agreement with previous experimental results.

  7. Robust biomimetic-structural superhydrophobic surface on aluminum alloy.

    Science.gov (United States)

    Li, Lingjie; Huang, Tao; Lei, Jinglei; He, Jianxin; Qu, Linfeng; Huang, Peiling; Zhou, Wei; Li, Nianbing; Pan, Fusheng

    2015-01-28

    The following facile approach has been developed to prepare a biomimetic-structural superhydrophobic surface with high stabilities and strong resistances on 2024 Al alloy that are robust to harsh environments. First, a simple hydrothermal treatment in a La(NO3)3 aqueous solution was used to fabricate ginkgo-leaf like nanostructures, resulting in a superhydrophilic surface on 2024 Al. Then a low-surface-energy compound, dodecafluoroheptyl-propyl-trimethoxylsilane (Actyflon-G502), was used to modify the superhydrophilic 2024 Al, changing the surface character from superhydrophilicity to superhydrophobicity. The water contact angle (WCA) of such a superhydrophobic surface reaches up to 160°, demonstrating excellent superhydrophobicity. Moreover, the as-prepared superhydrophobic surface shows high stabilities in air-storage, chemical and thermal environments, and has strong resistances to UV irradiation, corrosion, and abrasion. The WCAs of such a surface almost remain unchanged (160°) after storage in air for 80 days, exposure in 250 °C atmosphere for 24 h, and being exposed under UV irradiation for 24 h, are more than 144° whether in acidic or alkali medium, and are more than 150° after 48 h corrosion and after abrasion under 0.98 kPa for 1000 mm length. The remarkable durability of the as-prepared superhydrophobic surface can be attributed to its stable structure and composition, which are due to the existence of lanthanum (hydr)oxides in surface layer. The robustness of the as-prepared superhydrophobic surface to harsh environments will open their much wider applications. The fabricating approach for such robust superhydrophobic surface can be easily extended to other metals and alloys.

  8. Acousto-optical and SAW propagation characteristics of temperature stable multilayered structures based on LiNbO3 and diamond

    Science.gov (United States)

    Shandilya, Swati; Sreenivas, K.; Gupta, Vinay

    2008-01-01

    Theoretical studies on the surface acoustic wave (SAW) properties of c-axis oriented LiNbO3/IDT/diamond and diamond/IDT/128° rotated Y-X cut LiNbO3 multilayered structures have been considered. Both layered structures exhibit a positive temperature coefficient of delay (TCD) characteristic, and a zero TCD device is obtained after integrating with an over-layer of either tellurium dioxide (TeO2) or silicon dioxide (SiO2). The presence of a TeO2 over-layer enhanced the electromechanical coupling coefficients of both multilayered structures, which acts as a better temperature compensation layer than SiO2. The temperature stable TeO2/LiNbO3/IDT/diamond layered structure exhibits good electromechanical coefficient and higher phase velocity for SAW device applications. On the other hand, a high acousto-optical (AO) figure of merit (30-37) × 10-15 s3 kg-1 has been obtained for the temperature stable SiO2/diamond/IDT/LiNbO3 layered structure indicating a promising device structure for AO applications.

  9. Acousto-optical and SAW propagation characteristics of temperature stable multilayered structures based on LiNbO3 and diamond

    International Nuclear Information System (INIS)

    Shandilya, Swati; Sreenivas, K; Gupta, Vinay

    2008-01-01

    Theoretical studies on the surface acoustic wave (SAW) properties of c-axis oriented LiNbO 3 /IDT/diamond and diamond/IDT/128 0 rotated Y-X cut LiNbO 3 multilayered structures have been considered. Both layered structures exhibit a positive temperature coefficient of delay (TCD) characteristic, and a zero TCD device is obtained after integrating with an over-layer of either tellurium dioxide (TeO 2 ) or silicon dioxide (SiO 2 ). The presence of a TeO 2 over-layer enhanced the electromechanical coupling coefficients of both multilayered structures, which acts as a better temperature compensation layer than SiO 2 . The temperature stable TeO 2 /LiNbO 3 /IDT/diamond layered structure exhibits good electromechanical coefficient and higher phase velocity for SAW device applications. On the other hand, a high acousto-optical (AO) figure of merit (30-37) x 10 -15 s 3 kg -1 has been obtained for the temperature stable SiO 2 /diamond/IDT/LiNbO 3 layered structure indicating a promising device structure for AO applications

  10. Searching for stable Si(n)C(n) clusters: combination of stochastic potential surface search and pseudopotential plane-wave Car-Parinello simulated annealing simulations.

    Science.gov (United States)

    Duan, Xiaofeng F; Burggraf, Larry W; Huang, Lingyu

    2013-07-22

    To find low energy Si(n)C(n) structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA). We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to more than a thousand stable isomers for each Si(n)C(n) cluster. Among these, five to 10 of the lowest energy isomers were further optimized using B3LYP/cc-pVTZ method. We applied this method to Si(n)C(n) (n = 4-12) clusters and found the lowest energy structures, most not previously reported. By analyzing the bonding patterns of low energy structures of each Si(n)C(n) cluster, we observed that carbon segregations tend to form condensed conjugated rings while Si connects to unsaturated bonds at the periphery of the carbon segregation as single atoms or clusters when n is small and when n is large a silicon network spans over the carbon segregation region.

  11. Surface Structures Formed by a Copper(II Complex of Alkyl-Derivatized Indigo

    Directory of Open Access Journals (Sweden)

    Akinori Honda

    2016-10-01

    Full Text Available Assembled structures of dyes have great influence on their coloring function. For example, metal ions added in the dyeing process are known to prevent fading of color. Thus, we have investigated the influence of an addition of copper(II ion on the surface structure of alkyl-derivatized indigo. Scanning tunneling microscope (STM analysis revealed that the copper(II complexes of indigo formed orderly lamellar structures on a HOPG substrate. These lamellar structures of the complexes are found to be more stable than those of alkyl-derivatized indigos alone. Furthermore, 2D chirality was observed.

  12. Surface oceanographic fronts influencing deep-sea biological activity: Using fish stable isotopes as ecological tracers

    Science.gov (United States)

    Louzao, Maite; Navarro, Joan; Delgado-Huertas, Antonio; de Sola, Luis Gil; Forero, Manuela G.

    2017-06-01

    Ecotones can be described as transition zones between neighbouring ecological systems that can be shaped by environmental gradients over a range of space and time scales. In the marine environment, the detection of ecotones is complex given the highly dynamic nature of marine systems and the paucity of empirical data over ocean-basin scales. One approach to overcome these limitations is to use stable isotopes from animal tissues since they can track spatial oceanographic variability across marine systems and, in turn, can be used as ecological tracers. Here, we analysed stable isotopes of deep-sea fishes to assess the presence of ecological discontinuities across the western Mediterranean. We were specifically interested in exploring the connection between deep-sea biological activity and particular oceanographic features (i.e., surface fronts) occurring in the pelagic domain. We collected samples for three different abundant deep-sea species in May 2004 from an experimental oceanographic trawling cruise (MEDITS): the Mictophydae jewel lanternfish Lampanyctus crocodilus and two species of the Gadidae family, the silvery pout Gadiculus argenteus and the blue whiting Micromesistius poutassou. The experimental survey occurred along the Iberian continental shelf and the upper and middle slopes, from the Strait of Gibraltar in the SW to the Cape Creus in the NE. The three deep-sea species were highly abundant throughout the study area and they showed geographic variation in their isotopic values, with decreasing values from north to south disrupted by an important change point around the Vera Gulf. Isotopic latitudinal gradients were explained by pelagic oceanographic conditions along the study area and confirm the existence of an ecotone at the Vera Gulf. This area could be considered as an oceanographic boundary where waters of Atlantic origin meet Mediterranean surface waters forming important frontal structures such as the Almeria-Oran front. In fact, our results

  13. Formation of a stable, three-dimensional porous structure with self-assembled glass spheres using the plasma-induced electromeniscus phenomenon

    International Nuclear Information System (INIS)

    Matsuura, Hiroshi; Tanikawa, Tamio; Ando, Yasuhisa; Miyake, Koji; Sasaki, Shinya

    2006-01-01

    We develop a method for fabricating a stable, three-dimensional porous structure with self-assembled glass spheres. This three-dimensional (3D) self-assembly of glass spheres is achieved using the electromeniscus phenomenon, which is associated with a microscale solution current. The current encloses a group of glass spheres, carries the spheres, and assembles them three dimensionally with its surface tension at the desired site. The assembled glass spheres are fixed using a plasma-induced reaction combined with thermal treatment of the solution. These assembled microscale spheres create a large number of openings with extensive surface areas. This extensive area among 3D porous structures would be particularly useful for fabricating high-performance catalysts and high-resolution hydrogen sensors

  14. Monin-Obukhov Similarity Functions of the Structure Parameter of Temperature and Turbulent Kinetic Energy Dissipation Rate in the Stable Boundary Layer

    NARCIS (Netherlands)

    Hartogensis, O.K.; Debruin, H.A.R.

    2005-01-01

    The Monin-Obukhov similarity theory (MOST) functions fepsi; and fT, of the dissipation rate of turbulent kinetic energy (TKE), ¿, and the structure parameter of temperature, CT2, were determined for the stable atmospheric surface layer using data gathered in the context of CASES-99. These data cover

  15. Stable water isotope and surface heat flux simulation using ISOLSM: Evaluation against in-situ measurements

    KAUST Repository

    Cai, Mick Y.; Wang, Lixin; Parkes, Stephen; Strauss, Josiah; McCabe, Matthew; Evans, Jason P.; Griffiths, Alan D.

    2015-01-01

    The stable isotopes of water are useful tracers of water sources and hydrological processes. Stable water isotope-enabled land surface modeling is a relatively new approach for characterizing the hydrological cycle, providing spatial and temporal variability for a number of hydrological processes. At the land surface, the integration of stable water isotopes with other meteorological measurements can assist in constraining surface heat flux estimates and discriminate between evaporation (E) and transpiration (T). However, research in this area has traditionally been limited by a lack of continuous in-situ isotopic observations. Here, the National Centre for Atmospheric Research stable isotope-enabled Land Surface Model (ISOLSM) is used to simulate the water and energy fluxes and stable water isotope variations. The model was run for a period of one month with meteorological data collected from a coastal sub-tropical site near Sydney, Australia. The modeled energy fluxes (latent heat and sensible heat) agreed reasonably well with eddy covariance observations, indicating that ISOLSM has the capacity to reproduce observed flux behavior. Comparison of modeled isotopic compositions of evapotranspiration (ET) against in-situ Fourier Transform Infrared spectroscopy (FTIR) measured bulk water vapor isotopic data (10. m above the ground), however, showed differences in magnitude and temporal patterns. The disparity is due to a small contribution from local ET fluxes to atmospheric boundary layer water vapor (~1% based on calculations using ideal gas law) relative to that advected from the ocean for this particular site. Using ISOLSM simulation, the ET was partitioned into E and T with 70% being T. We also identified that soil water from different soil layers affected T and E differently based on the simulated soil isotopic patterns, which reflects the internal working of ISOLSM. These results highlighted the capacity of using the isotope-enabled models to discriminate

  16. Stable water isotope and surface heat flux simulation using ISOLSM: Evaluation against in-situ measurements

    KAUST Repository

    Cai, Mick Y.

    2015-04-01

    The stable isotopes of water are useful tracers of water sources and hydrological processes. Stable water isotope-enabled land surface modeling is a relatively new approach for characterizing the hydrological cycle, providing spatial and temporal variability for a number of hydrological processes. At the land surface, the integration of stable water isotopes with other meteorological measurements can assist in constraining surface heat flux estimates and discriminate between evaporation (E) and transpiration (T). However, research in this area has traditionally been limited by a lack of continuous in-situ isotopic observations. Here, the National Centre for Atmospheric Research stable isotope-enabled Land Surface Model (ISOLSM) is used to simulate the water and energy fluxes and stable water isotope variations. The model was run for a period of one month with meteorological data collected from a coastal sub-tropical site near Sydney, Australia. The modeled energy fluxes (latent heat and sensible heat) agreed reasonably well with eddy covariance observations, indicating that ISOLSM has the capacity to reproduce observed flux behavior. Comparison of modeled isotopic compositions of evapotranspiration (ET) against in-situ Fourier Transform Infrared spectroscopy (FTIR) measured bulk water vapor isotopic data (10. m above the ground), however, showed differences in magnitude and temporal patterns. The disparity is due to a small contribution from local ET fluxes to atmospheric boundary layer water vapor (~1% based on calculations using ideal gas law) relative to that advected from the ocean for this particular site. Using ISOLSM simulation, the ET was partitioned into E and T with 70% being T. We also identified that soil water from different soil layers affected T and E differently based on the simulated soil isotopic patterns, which reflects the internal working of ISOLSM. These results highlighted the capacity of using the isotope-enabled models to discriminate

  17. Preparation of Stable Superhydrophobic Coatings on Wood Substrate Surfaces via Mussel-Inspired Polydopamine and Electroless Deposition Methods

    Directory of Open Access Journals (Sweden)

    Kaili Wang

    2017-06-01

    Full Text Available Mussel-inspired polydopamine (PDA chemistry and electroless deposition approaches were used to prepare stable superhydrophobic coatings on wood surfaces. The as-formed PDA coating on a wood surface exhibited a hierarchical micro/nano roughness structure, and functioned as an “adhesive layer” between the substrate and a metallic film by the metal chelating ability of the catechol moieties on PDA, allowing for the formation of a well-developed micro/nanostructure hierarchical roughness. Additionally, the coating acted as a stable bridge between the substrate and hydrophobic groups. The morphology and chemical components of the prepared superhydrophobic wood surfaces were characterized by scanning electron microscopy (SEM, Fourier transform infrared (FT-IR spectroscopy, and X-ray photoelectron spectroscopy (XPS. The PDA and octadecylamine (OA modified surface showed excellent superhydrophobicity with a water contact angle (CA of about 153° and a rolling angle (RA of about 9°. The CA further increased to about 157° and RA reduced to about 5° with the Cu metallization. The superhydrophobic material exhibited outstanding stability in harsh conditions including ultraviolet aging, ultrasonic washing, strong acid-base and organic solvent immersion, and high-temperature water boiling. The results suggested that the PDA/OA layers were good enough to confer robust, degradation-resistant superhydrophobicity on wood substrates. The Cu metallization was likely unnecessary to provide significant improvements in superhydrophobic property. However, due to the amazing adhesive capacity of PDA, the electroless deposition technique may allow for a wide range of potential applications in biomimetic materials.

  18. Rupture of thin liquid films on structured surfaces.

    Science.gov (United States)

    Ajaev, Vladimir S; Gatapova, Elizaveta Ya; Kabov, Oleg A

    2011-10-01

    We investigate stability and breakup of a thin liquid film on a solid surface under the action of disjoining pressure. The solid surface is structured by parallel grooves. Air is trapped in the grooves under the liquid film. Our mathematical model takes into account the effect of slip due to the presence of menisci separating the liquid film from the air inside the grooves, the deformation of these menisci due to local variations of pressure in the liquid film, and nonuniformities of the Hamaker constant which measures the strength of disjoining pressure. Both linear stability and strongly nonlinear evolution of the film are analyzed. Surface structuring results in decrease of the fastest growing instability wavelength and the rupture time. It is shown that a simplified description of film dynamics based on the standard formula for effective slip leads to significant deviations from the behavior seen in our simulations. Self-similar decay over several orders of magnitude of the film thickness near the rupture point is observed. We also show that the presence of the grooves can lead to instability in otherwise stable films if the relative groove width is above a critical value, found as a function of disjoining pressure parameters.

  19. Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties

    KAUST Repository

    Noh, Jung Hyun

    2015-08-04

    We present a comprehensive investigation, via first-principles density functional theory (DFT) calculations, of various surface terminations of magnetite, Fe3O4 (111), a major iron oxide which has also a number of applications in electronics and spintronics. We compare the thermodynamic stability and electronic structure among the different surfaces terminations. Interestingly, we find that surfaces modified with point defects and adatoms can be more stable than bulk-like terminations. These surfaces show different surface chemistry, electronic structures and distinctive spin polarization features near the Fermi level from those previously considered in the literature. Our studies provide an atomic level insight for magnetite surfaces, which is a necessary step to understanding their interfaces with organic layers in OLED and spintronic devices.

  20. Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties

    KAUST Repository

    Noh, Jung Hyun; Osman, Osman I; Aziz, Saadullah G.; Winget, Paul; Bredas, Jean-Luc

    2015-01-01

    We present a comprehensive investigation, via first-principles density functional theory (DFT) calculations, of various surface terminations of magnetite, Fe3O4 (111), a major iron oxide which has also a number of applications in electronics and spintronics. We compare the thermodynamic stability and electronic structure among the different surfaces terminations. Interestingly, we find that surfaces modified with point defects and adatoms can be more stable than bulk-like terminations. These surfaces show different surface chemistry, electronic structures and distinctive spin polarization features near the Fermi level from those previously considered in the literature. Our studies provide an atomic level insight for magnetite surfaces, which is a necessary step to understanding their interfaces with organic layers in OLED and spintronic devices.

  1. Highly stable thin film transistors using multilayer channel structure

    KAUST Repository

    Nayak, Pradipta K.; Wang, Zhenwei; Anjum, Dalaver H.; Hedhili, Mohamed N.; Alshareef, Husam N.

    2015-01-01

    We report highly stable gate-bias stress performance of thin film transistors (TFTs) using zinc oxide (ZnO)/hafnium oxide (HfO2) multilayer structure as the channel layer. Positive and negative gate-bias stress stability of the TFTs was measured

  2. Structural stability and the electronic and magnetic properties of ferrimagnetic Mn_4N(0 0 1) surfaces

    International Nuclear Information System (INIS)

    Guerrero-Sánchez, J.; Takeuchi, Noboru

    2017-01-01

    Highlights: • Surface formation energy calculations demonstrate a N-dependent stability. • The magnetic alignment of these surfaces remains bulk-like, in a ferrimagnetic fashion. • A ferrimagnetic behavior in both structures is confirmed by density of states calculations. - Abstract: We have carried out spin-polarized first principles calculations to describe the surface stability and the electronic and magnetic properties of Mn_4N(0 0 1) surfaces. Results show two different surface terminations with different N content. The surface formation energies indicate that for manganese rich conditions the most stable structure is a MnN terminated surface. Whereas, from intermediate to nitrogen rich conditions, a MnN terminated surface with excess of nitrogen atoms is the most favorable. The stability of these surfaces can be traced to the formation of Mn–N bonds at the surface. The stable surfaces are Ferrimagnetic along the direction perpendicular to the surface, retaining a bulk-like behavior. However, there is a decrease in the Mn magnetic moments due to the presence of the surface. Density of states shows an asymmetric behavior, inherent of a Ferrimagnetic state. Finally, the surfaces are metallic with the main contributions around the Fermi level coming from the Mn-d orbitals. The knowledge about the atomic arrangements of the Mn_4N surfaces may serve to explain and understand the formation of more complex and technologically applicable ferromagnetic/ferrimagnetic and antiferromagnetic/ferrimagnetic heterostructures.

  3. Minimization of gully erosion on reclaimed surface mines using the stable slope and sediment transport computer model

    International Nuclear Information System (INIS)

    McKenney, R.A.; Gardner, T.G.

    1992-01-01

    Disequilibrium between slope form and hydrologic and erosion processes on reclaimed surface coal mines in the humid temperate northeastern US, can result in gully erosion and sediment loads which are elevated above natural, background values. Initial sheetwash erosion is surpassed by gully erosion on reclamation sites which are not in equilibrium with post-mining hydrology. Long-term stability can be attained by designing a channel profile which is in equilibrium with the increased peak discharges found on reclaimed surface mines. The Stable Slope and Sediment transport model (SSAST) was developed to design stable longitudinal channel profiles for post-mining hydrologic and erosional processes. SSAST is an event based computer model that calculates the stable slope for a channel segment based on the post-mine hydrology and median grain size of a reclaimed surface mine. Peak discharge, which drives post-mine erosion, is calculated from a 10-year, 24-hour storm using the Soil Conservation Service curve number method. Curve number calibrated for Pennsylvania surface mines are used. Reclamation sites are represented by the rectangle of triangle which most closely fits the shape of the site while having the same drainage area and length. Sediment transport and slope stability are calculated using a modified Bagnold's equation with a correction factor for the irregular particle shapes formed during the mining process. Data from three reclaimed Pennsylvania surface mines were used to calibrate and verify SSAST. Analysis indicates that SSAST can predict longitudinal channel profiles for stable reclamation of surface mines in the humid, temperate northeastern US

  4. Is bicarbonate stable in and on the calcite surface?

    Science.gov (United States)

    Andersson, M. P.; Rodriguez-Blanco, J. D.; Stipp, S. L. S.

    2016-03-01

    We have used density functional theory with the COSMO-RS implicit solvent model to predict the pKa for the deprotonation of bicarbonate to carbonate, i.e. HCO3- CO32- + H+, when HCO3- is included in, and adsorbed on, a calcite surface. We have used cluster models (80-100 atoms) to represent the flat {10.4} surface, acute steps, obtuse steps, two types of kinks on the acute step and two types of kinks on the obtuse steps. Based on the predicted pKa values, which range from -6.0 to 2.4 depending on the surface site, we conclude that bicarbonate deprotonates to carbonate when it is in calcite even when pH in solution is very low. This is true for all surface sites, even for solutions where 2.4 < pH < 6.35, where H2CO30 is the dominant dissolved species. When bicarbonate is adsorbed on calcite, the predicted pKa for deprotonation is 7.5, which is ∼3 pH units lower than in aqueous solution, 10.35. This means that adsorbed carbonate is stable even when the concentration of dissolved CO32- is several orders of magnitude lower. This has a significant effect on surface charge and thus the behaviour of the calcite surface. Our results help explain the potential determining behaviour of the carbonate species in calcite-water systems, particularly in the pH range where the bicarbonate species dominates in water and where the carbonate species dominates at the surface, i.e. when 7.5 < pH < 10.35. Our atomic scale data for the various calcite surface sites provide the needed input to improve and constrain surface complexation modelling and are especially useful for predicting behaviour in systems where experiments are difficult or impossible, such as at high temperature and pressure.

  5. Physically and chemically stable ionic liquid-infused textured surfaces showing excellent dynamic omniphobicity

    Energy Technology Data Exchange (ETDEWEB)

    Miranda, Daniel F.; Urata, Chihiro; Masheder, Benjamin; Dunderdale, Gary J.; Hozumi, Atsushi, E-mail: a.hozumi@aist.go.jp [National Institute of Advanced Industrial Science and Technology (AIST), 2266-98, Anagahora, Shimo-Shidami, Moriyama-ku, Nagoya, Aichi 463-8560 (Japan); Yagihashi, Makoto [Nagoya Municipal Industrial Research Institute, Rokuban, Atsuta-ku, Nagoya 456-0058 (Japan)

    2014-05-01

    A fluorinated and hydrophobic ionic liquid (IL), 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide, effectively served as an advantageous lubricating liquid for the preparation of physically and chemically stable omniphobic surfaces based on slippery liquid-infused porous surfaces. Here, we used particulate microstructures as supports, prepared by the chemical vapor deposition of 1,3,5,7-tetramethylcyclotetrasiloxane and subsequent surface modification with (3-aminopropyl)triethoxysilane. Confirmed by SEM and contact angle measurements, the resulting IL-infused microtextured surfaces are smooth and not only water but also various low surface tension liquids can easily slide off at low substrate tilt angles of <5°, even after exposure to high temperature, vacuum, and UV irradiation.

  6. Physically and chemically stable ionic liquid-infused textured surfaces showing excellent dynamic omniphobicity

    Directory of Open Access Journals (Sweden)

    Daniel F. Miranda

    2014-05-01

    Full Text Available A fluorinated and hydrophobic ionic liquid (IL, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl imide, effectively served as an advantageous lubricating liquid for the preparation of physically and chemically stable omniphobic surfaces based on slippery liquid-infused porous surfaces. Here, we used particulate microstructures as supports, prepared by the chemical vapor deposition of 1,3,5,7-tetramethylcyclotetrasiloxane and subsequent surface modification with (3-aminopropyltriethoxysilane. Confirmed by SEM and contact angle measurements, the resulting IL-infused microtextured surfaces are smooth and not only water but also various low surface tension liquids can easily slide off at low substrate tilt angles of <5°, even after exposure to high temperature, vacuum, and UV irradiation.

  7. Acousto-optical and SAW propagation characteristics of temperature stable multilayered structures based on LiNbO{sub 3} and diamond

    Energy Technology Data Exchange (ETDEWEB)

    Shandilya, Swati; Sreenivas, K; Gupta, Vinay [Department of Physics and Astrophysics, University of Delhi, Delhi-110007 (India)

    2008-01-21

    Theoretical studies on the surface acoustic wave (SAW) properties of c-axis oriented LiNbO{sub 3}/IDT/diamond and diamond/IDT/128{sup 0} rotated Y-X cut LiNbO{sub 3} multilayered structures have been considered. Both layered structures exhibit a positive temperature coefficient of delay (TCD) characteristic, and a zero TCD device is obtained after integrating with an over-layer of either tellurium dioxide (TeO{sub 2}) or silicon dioxide (SiO{sub 2}). The presence of a TeO{sub 2} over-layer enhanced the electromechanical coupling coefficients of both multilayered structures, which acts as a better temperature compensation layer than SiO{sub 2}. The temperature stable TeO{sub 2}/LiNbO{sub 3}/IDT/diamond layered structure exhibits good electromechanical coefficient and higher phase velocity for SAW device applications. On the other hand, a high acousto-optical (AO) figure of merit (30-37) x 10{sup -15} s{sup 3} kg{sup -1} has been obtained for the temperature stable SiO{sub 2}/diamond/IDT/LiNbO{sub 3} layered structure indicating a promising device structure for AO applications.

  8. Covalent and stable CuAAC modification of silicon surfaces for control of cell adhesion

    DEFF Research Database (Denmark)

    Vutti, Surendra; Buch-Månson, Nina; Schoffelen, Sanne

    2015-01-01

    in the vapor or liquid phase. In this work, we compared these two methods for oxidized silicon surfaces and thoroughly characterized the functionalization steps by tagging and fluorescence imaging. We demonstrate that the vapor-phase functionalization only provided transient surface modification that was lost...... on extensive washing. For stable surface modification, a liquid-phase method was developed. In this method, silicon wafers were decorated with azides, either by silanization with (3-azidopropyl)triethoxysilane or by conversion of the amine groups of an aminopropylated surface by means of the azido...

  9. Recent developments in low cost stable structures for space

    International Nuclear Information System (INIS)

    Thompson, T.C.; Grastataro, C.; Smith, B.G.

    1994-01-01

    The Los Alamos National Laboratory (LANL) in partnership with Composite Optics Incorporated (COI) is advancing the development of low cost, lightweight, composite technology for use in spacecraft and stable structures. The use of advanced composites is well developed, but the application of an all-composite tracker structure has never been achieved. This paper investigates the application of composite technology to the design and fabrication of an all-composite spacecraft bus for small satellites, using technology directly applicable to central tracking in a high luminosity environment. The satellite program Fast On-Orbit Recording of Transient Events (FORTE) is the second in a series of satellites to be launched into orbit for the US Department of Energy (DOE). This paper will discuss recent developments in the area of low cost composites, used for either spacecraft or ultra stable applications in high energy physics (HEP) detectors. The use of advanced composites is a relatively new development in the area of HEP. The Superconducting Super Collider (SSC) spawned a new generation of Trackers which made extensive use of graphite fiber reinforced plastic (GFRP) composite systems. LANL has designed a structure employing new fabrication technology. This concept will lower the cost of composite structures to a point that they may now compete with conventional materials. This paper will discuss the design, analysis and proposed fabrication of a small satellite structure. Central tracking structures using advanced materials capable of operating in an adverse environment typical of that found in a high luminosity collider could use identical concepts

  10. Structural stability and the electronic and magnetic properties of ferrimagnetic Mn{sub 4}N(0 0 1) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero-Sánchez, J., E-mail: guerrero@cnyn.unam.mx; Takeuchi, Noboru

    2017-06-15

    Highlights: • Surface formation energy calculations demonstrate a N-dependent stability. • The magnetic alignment of these surfaces remains bulk-like, in a ferrimagnetic fashion. • A ferrimagnetic behavior in both structures is confirmed by density of states calculations. - Abstract: We have carried out spin-polarized first principles calculations to describe the surface stability and the electronic and magnetic properties of Mn{sub 4}N(0 0 1) surfaces. Results show two different surface terminations with different N content. The surface formation energies indicate that for manganese rich conditions the most stable structure is a MnN terminated surface. Whereas, from intermediate to nitrogen rich conditions, a MnN terminated surface with excess of nitrogen atoms is the most favorable. The stability of these surfaces can be traced to the formation of Mn–N bonds at the surface. The stable surfaces are Ferrimagnetic along the direction perpendicular to the surface, retaining a bulk-like behavior. However, there is a decrease in the Mn magnetic moments due to the presence of the surface. Density of states shows an asymmetric behavior, inherent of a Ferrimagnetic state. Finally, the surfaces are metallic with the main contributions around the Fermi level coming from the Mn-d orbitals. The knowledge about the atomic arrangements of the Mn{sub 4}N surfaces may serve to explain and understand the formation of more complex and technologically applicable ferromagnetic/ferrimagnetic and antiferromagnetic/ferrimagnetic heterostructures.

  11. The retro-GCN4 leucine zipper sequence forms a stable three-dimensional structure

    Science.gov (United States)

    Mittl, Peer R. E.; Deillon, Christine; Sargent, David; Liu, Niankun; Klauser, Stephan; Thomas, Richard M.; Gutte, Bernd; Grütter, Markus G.

    2000-01-01

    The question of whether a protein whose natural sequence is inverted adopts a stable fold is still under debate. We have determined the 2.1-Å crystal structure of the retro-GCN4 leucine zipper. In contrast to the two-stranded helical coiled-coil GCN4 leucine zipper, the retro-leucine zipper formed a very stable, parallel four-helix bundle, which now lends itself to further structural and functional studies. PMID:10716989

  12. Modelling of the flow of stable air over a complex region

    CSIR Research Space (South Africa)

    Scholtz, MT

    1976-01-01

    Full Text Available The flow of stable air over a general region of complex topography and non-uniform surface temperature has been investigated. In order to gain further understanding of the motion of surface air, it was necessary to study the vertical structure...

  13. Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT

    DEFF Research Database (Denmark)

    Hansen, Heine Anton; Rossmeisl, Jan; Nørskov, Jens Kehlet

    2008-01-01

    The electrochemical most stable surface structures is investigated as function of pH and potential for Pt, Ag and Ni based on DFT calculations and constructed surface Pourbaix diagrams. It is also explained why metals such as Ag and Ni may be used successfully in alkaline fuel cells but not in ac......The electrochemical most stable surface structures is investigated as function of pH and potential for Pt, Ag and Ni based on DFT calculations and constructed surface Pourbaix diagrams. It is also explained why metals such as Ag and Ni may be used successfully in alkaline fuel cells...... but not in acidic PEM fuel cells. Based on density functional theory calculations we investigate the electrochemically most stable surface structures as a function of pH and electrostatic potential for Pt(111), Ag(111) and Ni(111), and we construct surface Pourbaix diagrams. We study the oxygen reduction reaction......, on the other hand, is constant vs. the standard hydrogen electrode (SHE). For Ag, this means that where the potential for dissolution and ORR are about the same at pH = 0, Ag becomes more stable relative to RHE as pH is increased. Hence the pH dependent stability offers an explanation for the possible use...

  14. Stable isotope applications in biomolecular structure and mechanisms. A meeting to bring together producers and users of stable-isotope-labeled compounds to assess current and future needs

    International Nuclear Information System (INIS)

    Trewhella, J.; Cross, T.A.; Unkefer, C.J.

    1994-12-01

    Knowledge of biomolecular structure is a prerequisite for understanding biomolecular function, and stable isotopes play an increasingly important role in structure determination of biological molecules. The first Conference on Stable Isotope Applications in Biomolecular Structure and Mechanisms was held in Santa Fe, New Mexico, March 27--31, 1994. More than 120 participants from 8 countries and 44 institutions reviewed significant developments, discussed the most promising applications for stable isotopes, and addressed future needs and challenges. Participants focused on applications of stable isotopes for studies of the structure and function of proteins, peptides, RNA, and DNA. Recent advances in NMR techniques neutron scattering, EPR, and vibrational spectroscopy were highlighted in addition to the production and synthesis of labeled compounds. This volume includes invited speaker and poster presentations as well as a set of reports from discussion panels that focused on the needs of the scientific community and the potential roles of private industry, the National Stable Isotope Resource, and the National High Magnetic Field Laboratory in serving those needs. This is the leading abstract. Individual papers are processed separately for the database

  15. Stable isotope applications in biomolecular structure and mechanisms. A meeting to bring together producers and users of stable-isotope-labeled compounds to assess current and future needs

    Energy Technology Data Exchange (ETDEWEB)

    Trewhella, J.; Cross, T.A.; Unkefer, C.J. [eds.

    1994-12-01

    Knowledge of biomolecular structure is a prerequisite for understanding biomolecular function, and stable isotopes play an increasingly important role in structure determination of biological molecules. The first Conference on Stable Isotope Applications in Biomolecular Structure and Mechanisms was held in Santa Fe, New Mexico, March 27--31, 1994. More than 120 participants from 8 countries and 44 institutions reviewed significant developments, discussed the most promising applications for stable isotopes, and addressed future needs and challenges. Participants focused on applications of stable isotopes for studies of the structure and function of proteins, peptides, RNA, and DNA. Recent advances in NMR techniques neutron scattering, EPR, and vibrational spectroscopy were highlighted in addition to the production and synthesis of labeled compounds. This volume includes invited speaker and poster presentations as well as a set of reports from discussion panels that focused on the needs of the scientific community and the potential roles of private industry, the National Stable Isotope Resource, and the National High Magnetic Field Laboratory in serving those needs. This is the leading abstract. Individual papers are processed separately for the database.

  16. Stable Boundary Layer Issues

    NARCIS (Netherlands)

    Steeneveld, G.J.

    2012-01-01

    Understanding and prediction of the stable atmospheric boundary layer is a challenging task. Many physical processes are relevant in the stable boundary layer, i.e. turbulence, radiation, land surface coupling, orographic turbulent and gravity wave drag, and land surface heterogeneity. The

  17. Silicene-terminated surface of calcium and strontium disilicides: properties and comparison with bulk structures by computational methods

    Science.gov (United States)

    Brázda, Petr; Mutombo, Pingo; Ondráček, Martin; Corrêa, Cinthia Antunes; Kopeček, Jaromír; Palatinus, Lukáš

    2018-05-01

    The bulk and surface structures of calcium and strontium disilicides are investigated by computational methods using density functional theory. The investigated structures are R6, R3 and P1-CaSi2 and P1-SrSi2. The investigated properties are the cleavage energy at the silicene sheet, buckling of the bulk and surface silicene layers, charge transfer from calcium to silicon, band structure of bulk and surface-terminated structures and adsorption energies on H atoms and H2 molecules on the silicene-terminated surface of the R3 phase. The cleavage energy at the silicene surface is low in all cases. Structures P1-CaSi2 and R3-CaSi2 contain silicene sheets with different coordination to Ca, while R6-CaSi2 contains both types of the sheets. It is shown that the properties of the two types of silicene-like sheets in R6-CaSi2 are similar to those of the corresponding sheets in P1-CaSi2 and R3-CaSi2, and the thermodynamically stable R6 phase is a good candidate for experimental investigation of silicene-terminated surface in calcium disilicide.

  18. Atomic structure of a stable high-index Ge surface: G2(103)-(4x1)

    DEFF Research Database (Denmark)

    Seehofer, L.; Bunk, O.; Falkenberg, G.

    1997-01-01

    Based on scanning tunneling microscopy and surface X-ray diffraction, we propose a complex structural model for the Ge(103)-(4 x 1) reconstruction. Each unit cell contains two (103) double steps, which gives rise to the formation of stripes of Ge atoms oriented in the [] direction....... The stripes and the spaces between them are covered with threefold-coordinated Ge adatoms. Charge is transferred from the bulk-like edge atoms of the double steps to the adatoms. The formation of the reconstruction can be explained in terms of stress relief, charge transfer, and minimization of the dangling...

  19. Smart biomaterials: Surfaces functionalized with proteolytically stable osteoblast-adhesive peptides

    Directory of Open Access Journals (Sweden)

    Annj Zamuner

    2017-09-01

    Full Text Available Engineered scaffolds for bone tissue regeneration are designed to promote cell adhesion, growth, proliferation and differentiation. Recently, covalent and selective functionalization of glass and titanium surfaces with an adhesive peptide (HVP mapped on [351–359] sequence of human Vitronectin allowed to selectively increase osteoblast attachment and adhesion strength in in vitro assays, and to promote osseointegration in in vivo studies. For the first time to our knowledge, in this study we investigated the resistance of adhesion sequences to proteolytic digestion: HVP was completely cleaved after 5 h. In order to overcome the enzymatic degradation of the native peptide under physiological conditions we synthetized three analogues of HVP sequence. A retro-inverted peptide D-2HVP, composed of D amino acids, was completely stable in serum-containing medium. In addition, glass surfaces functionalized with D-2HVP increased human osteoblast adhesion as compared to the native peptide and maintained deposition of calcium. Interestingly, D-2HVP increased expression of IBSP, VTN and SPP1 genes as compared to HVP functionalized surfaces. Total internal reflection fluorescence microscope analysis showed cells with numerous filopodia spread on D-2HVP-functionalized surfaces. Therefore, the D-2HVP sequence is proposed as new osteoblast adhesive peptide with increased bioactivity and high proteolytic resistance.

  20. Smart biomaterials: Surfaces functionalized with proteolytically stable osteoblast-adhesive peptides.

    Science.gov (United States)

    Zamuner, Annj; Brun, Paola; Scorzeto, Michele; Sica, Giuseppe; Castagliuolo, Ignazio; Dettin, Monica

    2017-09-01

    Engineered scaffolds for bone tissue regeneration are designed to promote cell adhesion, growth, proliferation and differentiation. Recently, covalent and selective functionalization of glass and titanium surfaces with an adhesive peptide (HVP) mapped on [351-359] sequence of human Vitronectin allowed to selectively increase osteoblast attachment and adhesion strength in in vitro assays, and to promote osseointegration in in vivo studies. For the first time to our knowledge, in this study we investigated the resistance of adhesion sequences to proteolytic digestion: HVP was completely cleaved after 5 h. In order to overcome the enzymatic degradation of the native peptide under physiological conditions we synthetized three analogues of HVP sequence. A retro-inverted peptide D-2HVP, composed of D amino acids, was completely stable in serum-containing medium. In addition, glass surfaces functionalized with D-2HVP increased human osteoblast adhesion as compared to the native peptide and maintained deposition of calcium. Interestingly, D-2HVP increased expression of IBSP, VTN and SPP1 genes as compared to HVP functionalized surfaces. Total internal reflection fluorescence microscope analysis showed cells with numerous filopodia spread on D-2HVP-functionalized surfaces. Therefore, the D-2HVP sequence is proposed as new osteoblast adhesive peptide with increased bioactivity and high proteolytic resistance.

  1. Atomic and electronic structures of novel silicon surface structures

    Energy Technology Data Exchange (ETDEWEB)

    Terry, J.H. Jr.

    1997-03-01

    The modification of silicon surfaces is presently of great interest to the semiconductor device community. Three distinct areas are the subject of inquiry: first, modification of the silicon electronic structure; second, passivation of the silicon surface; and third, functionalization of the silicon surface. It is believed that surface modification of these types will lead to useful electronic devices by pairing these modified surfaces with traditional silicon device technology. Therefore, silicon wafers with modified electronic structure (light-emitting porous silicon), passivated surfaces (H-Si(111), Cl-Si(111), Alkyl-Si(111)), and functionalized surfaces (Alkyl-Si(111)) have been studied in order to determine the fundamental properties of surface geometry and electronic structure using synchrotron radiation-based techniques.

  2. Stable Boundary Layer Issues

    OpenAIRE

    Steeneveld, G.J.

    2012-01-01

    Understanding and prediction of the stable atmospheric boundary layer is a challenging task. Many physical processes are relevant in the stable boundary layer, i.e. turbulence, radiation, land surface coupling, orographic turbulent and gravity wave drag, and land surface heterogeneity. The development of robust stable boundary layer parameterizations for use in NWP and climate models is hampered by the multiplicity of processes and their unknown interactions. As a result, these models suffer ...

  3. The role of energetic ions from plasma in the creation of nanostructured materials and stable polymer surface treatments

    International Nuclear Information System (INIS)

    Bilek, M.M.M.; Newton-McGee, K.; McKenzie, D.R.; McCulloch, D.G.

    2006-01-01

    Plasma processes for the synthesis of new materials as thin films have enabled the production of a wide variety of new materials. These include meta-stable phases, which are not readily found in nature, and more recently, materials with structure on the nanoscale. Study of plasma synthesis processes at the fundamental level has revealed that ion energy, depositing flux and growth surface temperature are the critical parameters affecting the microstructure and the properties of the thin film materials formed. In this paper, we focus on the role of ion flux and impact energy in the creation of thin films with nanoscale structure in the form of multilayers. We describe three synthesis strategies, based on the extraction of ions from plasma sources and involving modulation of ion flux and ion energy. The microstructure, intrinsic stress and physical properties of the multilayered samples synthesized are studied and related back to the conditions at the growth surface during deposition. When energetic ions of a non-condensing species are used, it is possible to place active groups on the surfaces of materials such as polymers. These active groups can then be used as bonding sites in subsequent chemical attachment of proteins or other macromolecules. If the energy of the non-condensing ions is increased to a few keV then modified layers buried under the surface can be produced. Here we describe a method by which the aging effect, which is often observed in plasma surface modifications on polymers, can be reduced and even eliminated using high energy ion bombardment

  4. Superhydrophobic surface based on a coral-like hierarchical structure of ZnO.

    Directory of Open Access Journals (Sweden)

    Jun Wu

    2010-12-01

    Full Text Available Fabrication of superhydrophobic surfaces has attracted much interest in the past decade. The fabrication methods that have been studied are chemical vapour deposition, the sol-gel method, etching technique, electrochemical deposition, the layer-by-layer deposition, and so on. Simple and inexpensive methods for manufacturing environmentally stable superhydrophobic surfaces have also been proposed lately. However, work referring to the influence of special structures on the wettability, such as hierarchical ZnO nanostructures, is rare.This study presents a simple and reproducible method to fabricate a superhydrophobic surface with micro-scale roughness based on zinc oxide (ZnO hierarchical structure, which is grown by the hydrothermal method with an alkaline aqueous solution. Coral-like structures of ZnO were fabricated on a glass substrate with a micro-scale roughness, while the antennas of the coral formed the nano-scale roughness. The fresh ZnO films exhibited excellent superhydrophilicity (the apparent contact angle for water droplet was about 0°, while the ability to be wet could be changed to superhydrophobicity after spin-coating Teflon (the apparent contact angle greater than 168°. The procedure reported here can be applied to substrates consisting of other materials and having various shapes.The new process is convenient and environmentally friendly compared to conventional methods. Furthermore, the hierarchical structure generates the extraordinary solid/gas/liquid three-phase contact interface, which is the essential characteristic for a superhydrophobic surface.

  5. Influence of structured sidewalls on the wetting states and superhydrophobic stability of surfaces with dual-scale roughness

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Huaping, E-mail: wuhuaping@gmail.com [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116024 (China); Zhu, Kai; Wu, Bingbing [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); Lou, Jia [Piezoelectric Device Laboratory, Department of Mechanics and Engineering Science, Ningbo University, Ningbo, Zhejiang 315211 (China); Zhang, Zheng [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); Chai, Guozhong, E-mail: chaigz@zjut.edu.cn [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China)

    2016-09-30

    Highlights: • Apparent contact angle equation of all wetting states on dual-scale rough surfaces is derived. • Structured sidewalls can improve superhydrophobicity than smooth sidewalls. • Structured sidewalls can enlarge ACA than smooth sidewalls. • Structured sidewalls present an advantage over smooth sidewalls in terms of enhancing superhydrophobic stability. - Abstract: The superhydrophobicity of biological surfaces with dual-scale roughness has recently received considerable attention because of the unique wettability of such surfaces. Based on this, artificial micro/nano hierarchical structures with structured sidewalls and smooth sidewalls were designed and the influences of sidewall configurations (i.e., structured and smooth) on the wetting state of micro/nano hierarchical structures were systematically investigated based on thermodynamics and the principle of minimum free energy. Wetting transition and superhydrophobic stability were then analyzed for a droplet on dual-scale rough surfaces with structured and smooth sidewalls. Theoretical analysis results show that dual-scale rough surfaces with structured sidewalls have a larger “stable superhydrophobic region” than those with smooth sidewalls. The dual-scale rough surfaces with smooth sidewalls can enlarge the apparent contact angle (ACA) without improvement in the superhydrophobic stability. By contrast, dual-scale rough surfaces with structured sidewalls present an advantage over those with smooth sidewalls in terms of enlarging ACA and enhancing superhydrophobic stability. The proposed thermodynamic model is valid when compared with previous experimental data and numerical analysis results, which is helpful for designing and understanding the wetting states and superhydrophobic stability of surfaces with dual-scale roughness.

  6. Stable preparations of tyrosine hydroxylase provide the solution structure of the full-length enzyme

    Science.gov (United States)

    Bezem, Maria T.; Baumann, Anne; Skjærven, Lars; Meyer, Romain; Kursula, Petri; Martinez, Aurora; Flydal, Marte I.

    2016-01-01

    Tyrosine hydroxylase (TH) catalyzes the rate-limiting step in the biosynthesis of catecholamine neurotransmitters. TH is a highly complex enzyme at mechanistic, structural, and regulatory levels, and the preparation of kinetically and conformationally stable enzyme for structural characterization has been challenging. Here, we report on improved protocols for purification of recombinant human TH isoform 1 (TH1), which provide large amounts of pure, stable, active TH1 with an intact N-terminus. TH1 purified through fusion with a His-tagged maltose-binding protein on amylose resin was representative of the iron-bound functional enzyme, showing high activity and stabilization by the natural feedback inhibitor dopamine. TH1 purified through fusion with a His-tagged ZZ domain on TALON is remarkably stable, as it was partially inhibited by resin-derived cobalt. This more stable enzyme preparation provided high-quality small-angle X-ray scattering (SAXS) data and reliable structural models of full-length tetrameric TH1. The SAXS-derived model reveals an elongated conformation (Dmax = 20 nm) for TH1, different arrangement of the catalytic domains compared with the crystal structure of truncated forms, and an N-terminal region with an unstructured tail that hosts the phosphorylation sites and a separated Ala-rich helical motif that may have a role in regulation of TH by interacting with binding partners. PMID:27462005

  7. One-step controllable fabrication of superhydrophobic surfaces with special composite structure on zinc substrates.

    Science.gov (United States)

    Ning, Tao; Xu, Wenguo; Lu, Shixiang

    2011-09-01

    Stable superhydrophobic platinum surfaces have been effectively fabricated on the zinc substrates through one-step replacement deposition process without further modification or any other post-treatment procedures. The fabrication process was controllable, which could be testified by various morphologies and hydrophobic properties of different prepared samples. By conducting SEM and water CA analysis, the effects of reaction conditions on the surface morphology and hydrophobicity of the resulting surfaces were carefully studied. The results show that the optimum condition of superhydrophobic surface fabrication depends largely on the positioning of zinc plate and the concentrations of reactants. When the zinc plate was placed vertically and the concentration of PtCl(4) solution was 5 mmol/L, the zinc substrate would be covered by a novel and interesting composite structure. The structure was composed by microscale hexagonal cavities, densely packed nanoparticles layer and top micro- and nanoscale flower-like structures, which exhibit great surface roughness and porosity contributing to the superhydrophobicity. The maximal CA value of about 171° was obtained under the same reaction condition. The XRD, XPS and EDX results indicate that crystallite pure platinum nanoparticles were aggregated on the zinc substrates in accordance with a free deposition way. Copyright © 2011 Elsevier Inc. All rights reserved.

  8. On real structures on rigid surfaces

    International Nuclear Information System (INIS)

    Kulikov, Vik S; Kharlamov, V M

    2002-01-01

    We construct examples of rigid surfaces (that is, surfaces whose deformation class consists of a unique surface) with a particular behaviour with respect to real structures. In one example the surface has no real structure. In another it has a unique real structure, which is not maximal with respect to the Smith-Thom inequality. These examples give negative answers to the following problems: the existence of real surfaces in each deformation class of complex surfaces, and the existence of maximal real surfaces in every complex deformation class that contains real surfaces. Moreover, we prove that there are no real surfaces among surfaces of general type with p g =q=0 and K 2 =9. These surfaces also provide new counterexamples to the 'Dif = Def' problem

  9. From Coordination Cages to a Stable Crystalline Porous Hydrogen-Bonded Framework

    Energy Technology Data Exchange (ETDEWEB)

    Ju, Zhanfeng [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Liu, Guoliang [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Chen, Yu-Sheng [ChemMatCARS, Center for Advanced Radiation Sources, The University of Chicago, Argonne Illinois 60439 USA; Yuan, Daqiang [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Chen, Banglin [Department of Chemistry, University of Texas at San Antonio, San Antonio Texas 78249-0698 USA

    2017-03-20

    A stable framework has been constructed through multiple charge-assisted H-bonds between cationic coordination cages and chloride ions. The framework maintained its original structure upon desolvation, which has been established by single-crystal structure analysis. This is the first fully characterized stable porous framework based on coordination cages after desolvation, with a moderately high Brunauer–Emmett–Teller (BET) surface area of 1201 m2 g-1. This work will not only give a light to construct stable porous frameworks based on coordination cages and thus broaden their applications, but will also provide a new avenue to the assembly of other porous materials such as porous organic cages and hydrogen-bonded organic frameworks (HOFs) through non covalent bonds.

  10. On real structures on rigid surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kulikov, Vik S [Steklov Mathematical Institute, Russian Academy of Sciences (Russian Federation); Kharlamov, V M [Institut de Recherche Matematique Avanee Universite Louis Pasteur et CNRS 7 rue Rene Descartes (France)

    2002-02-28

    We construct examples of rigid surfaces (that is, surfaces whose deformation class consists of a unique surface) with a particular behaviour with respect to real structures. In one example the surface has no real structure. In another it has a unique real structure, which is not maximal with respect to the Smith-Thom inequality. These examples give negative answers to the following problems: the existence of real surfaces in each deformation class of complex surfaces, and the existence of maximal real surfaces in every complex deformation class that contains real surfaces. Moreover, we prove that there are no real surfaces among surfaces of general type with p{sub g}=q=0 and K{sup 2}=9. These surfaces also provide new counterexamples to the 'Dif = Def' problem.

  11. Stable structures of Al510–800 clusters and lowest energy sequence of truncated octahedral Al clusters up to 10,000 atoms

    International Nuclear Information System (INIS)

    Wu, Xia; He, Chengdong

    2012-01-01

    Highlights: ► The stable structures of Al 510–800 clusters are obtained with the NP-B potential. ► Al 510–800 clusters adopt truncated octahedral (TO) growth pattern based on complete TOs at Al 405 , Al 586 , and Al 711 . ► The lowest energy sequence of complete TOs up to the size 10,000 is proposed. -- Abstract: The stable structures of Al 510–800 clusters are obtained using dynamic lattice searching with constructed cores (DLSc) method by the NP-B potential. According to the structural growth rule, octahedra and truncated octahedra (TO) configurations are adopted as the inner cores in DLSc method. The results show that in the optimized structures two complete TO structures are found at Al 586 and Al 711 . Furthermore, Al 510–800 clusters adopt TO growth pattern on complete TOs at Al 405 , Al 586 , and Al 711 , and the configurations of the surface atoms are investigated. On the other hand, Al clusters with complete TO motifs are studied up to the size 10,000 by the geometrical construction method. The structural characteristics of complete TOs are denoted by the term “family”, and the growth sequence of Al clusters is investigated. The lowest energy sequence of complete TOs is proposed.

  12. Structurally stable graphene oxide-based nanofiltration membranes with bioadhesive polydopamine coating

    Science.gov (United States)

    Wang, Chongbin; Li, Zhiyuan; Chen, Jianxin; Yin, Yongheng; Wu, Hong

    2018-01-01

    Graphene oxide (GO)-based membranes possess promising potential in liquid separation for its high flux. The state-of-art GO-based membranes need to be supported by a substrate to ensure that the ultra-thin GO layer can withstand transmembrane pressure in practical applications. The interfacial compatibility of this kind of composite membrane remains a great challenge due to the intrinsic difference in chemical/physical properties between the GO sheets and the substrate. In this paper, a structurally stable GO-based composite nanofiltration membrane was fabricated by coupling the mussel-inspired adhesive platform and filtration-assisted assembly of GO laminates. The water flux for the prepared GO-based nanofiltration membrane reached up to 85 L m-2 h-1 bar-1 with a high retention above 95% and 100% for Orange G and Congo Red, respectively. The membrane exhibited highly stable structure owing to the covalent and noncovalent interactions between GO separation layer and dopamine adhesive platform.

  13. Structure of Ge(100) surfaces for high-efficiency photovoltaic applications

    Energy Technology Data Exchange (ETDEWEB)

    Olson, J.M.; McMahon, W.E. [National Renewable Energy Lab., Golden, CO (United States)

    1998-09-01

    While much is known about the Ge(100) surface in a UHV/MBE environment, little has been published about this surface in an MOCVD environment. The main objective of this study is to determine the structure of the surface of Ge substrates in the typical MOCVD reactor immediately prior to and following the heteronucleation of GaAs and other lattice-matched III-V alloys, and to determine the conditions necessary for the growth of device-quality epilayers. In this paper the authors present the first STM images of the MOCVD-prepared Ge surfaces. Although many of the observed features are very similar to UHV- or MBE-prepared surfaces, there are distinct and important differences. For example, while the As-terminated surfaces for MBE-Ge and MOCVD-Ge are virtually identical, the AsH{sub 3}-treated surfaces in an MOCVD reactor are quite different. The terrace reconstruction is rotated by {pi}/2, and significant step bunching or faceting is also observed. Time-dependent RD kinetic studies also reveal, for the first time, several interesting features: the transition rate from an As-terminated (1 x 2) terrace reconstruction to a stable AsH{sub 3}-annealed surface is a function of the substrate temperature, substrate miscut from (100) and AsH{sub 3} partial pressure, and, for typical prenucleation conditions, is relatively slow. These results explain many of the empirically derived nucleation conditions that have been devised by numerous groups.

  14. Assembly, Structure, and Functionality of Metal-Organic Networks and Organic Semiconductor Layers at Surfaces

    Science.gov (United States)

    Tempas, Christopher D.

    Self-assembled nanostructures at surfaces show promise for the development of next generation technologies including organic electronic devices and heterogeneous catalysis. In many cases, the functionality of these nanostructures is not well understood. This thesis presents strategies for the structural design of new on-surface metal-organic networks and probes their chemical reactivity. It is shown that creating uniform metal sites greatly increases selectivity when compared to ligand-free metal islands. When O2 reacts with single-site vanadium centers, in redox-active self-assembled coordination networks on the Au(100) surface, it forms one product. When O2 reacts with vanadium metal islands on the same surface, multiple products are formed. Other metal-organic networks described in this thesis include a mixed valence network containing Pt0 and PtII and a network where two Fe centers reside in close proximity. This structure is stable to temperatures >450 °C. These new on-surface assemblies may offer the ability to perform reactions of increasing complexity as future heterogeneous catalysts. The functionalization of organic semiconductor molecules is also shown. When a few molecular layers are grown on the surface, it is seen that the addition of functional groups changes both the film's structure and charge transport properties. This is due to changes in both first layer packing structure and the pi-electron distribution in the functionalized molecules compared to the original molecule. The systems described in this thesis were studied using high-resolution scanning tunneling microscopy, non-contact atomic force microscopy, and X-ray photoelectron spectroscopy. Overall, this work provides strategies for the creation of new, well-defined on-surface nanostructures and adds additional chemical insight into their properties.

  15. Fabrication of Water Jet Resistant and Thermally Stable Superhydrophobic Surfaces by Spray Coating of Candle Soot Dispersion.

    Science.gov (United States)

    Qahtan, Talal F; Gondal, Mohammed A; Alade, Ibrahim O; Dastageer, Mohammed A

    2017-08-08

    A facile synthesis method for highly stable carbon nanoparticle (CNP) dispersion in acetone by incomplete combustion of paraffin candle flame is presented. The synthesized CNP dispersion is the mixture of graphitic and amorphous carbon nanoparticles of the size range of 20-50 nm and manifested the mesoporosity with an average pore size of 7 nm and a BET surface area of 366 m 2 g -1 . As an application of this material, the carbon nanoparticle dispersion was spray coated (spray-based coating) on a glass surface to fabricate superhydrophobic (water contact angle > 150° and sliding angle fabricated from direct candle flame soot deposition (candle-based coating). This study proved that water jet resistant and thermally stable superhydrophobic surfaces can be easily fabricated by simple spray coating of CNP dispersion gathered from incomplete combustion of paraffin candle flame and this technique can be used for different applications with the potential for the large scale fabrication.

  16. CONDITIONS FOR STABLE CHIP BREAKING AND PROVISION OF MACHINED SURFACE QUALITY WHILE TURNING WITH ASYMMETRIC TOOL VIBRATIONS

    Directory of Open Access Journals (Sweden)

    V. K. Sheleh

    2015-01-01

    Full Text Available The paper considers a process of turning structural steel with asymmetric tool vibrations directed along feeding. Asymmetric vibrations characterized by asymmetry coefficient of vibration cycle, their frequency and amplitude are additionally transferred to the tool in the turning process with the purpose to crush chips. Conditions of stable chip breaking and obtaining optimum dimensions of chip elements have been determined in the paper. In order to reduce a negative impact of the vibration amplitude on a cutting process and quality of the machined surfaces machining must be carried out with its minimum value. In this case certain ratio of the tool vibration frequency to the work-piece rotation speed has been ensured in the paper. A formula has been obtained for calculation of this ratio with due account of the expected length of chip elements and coefficient of vibration cycle asymmetry.Influence of the asymmetric coefficient of the tool vibration cycle on roughness of the machined surfaces and cutting tool wear has been determined in the paper. According to the results pertaining to machining of work-pieces made of 45 and ШХ15 steel the paper presents mathematical relationships of machined surface roughness with cutting modes and asymmetry coefficient of tool vibration cycle. Tool feeding being one of the cutting modes exerts the most significant impact on the roughness value and increase of the tool feeding entails increase in roughness. Reduction in coefficient of vibration cycle asymmetry contributes to surface roughness reduction. However, the cutting tool wear occurs more intensive. Coefficient of the vibration cycle asymmetry must be increased in order to reduce wear rate. Therefore, the choice of the coefficient of the vibration cycle asymmetry is based on the parameters of surface roughness which must be obtained after machining and intensity of tool wear rate.The paper considers a process of turning structural steel with asymmetric

  17. A new structure for comparing surface passivation materials of GaAs solar cells

    Science.gov (United States)

    Desalvo, Gregory C.; Barnett, Allen M.

    1989-01-01

    The surface recombination velocity (S sub rec) for bare GaAs is typically as high as 10 to the 6th power to 10 to the 7th power cm/sec, which dramatically lowers the efficiency of GaAs solar cells. Early attempts to circumvent this problem by making an ultra thin junction (xj less than .1 micron) proved unsuccessful when compared to lowering S sub rec by surface passivation. Present day GaAs solar cells use an GaAlAs window layer to passivate the top surface. The advantages of GaAlAs in surface passivation are its high bandgap energy and lattice matching to GaAs. Although GaAlAs is successful in reducing the surface recombination velocity, it has other inherent problems of chemical instability (Al readily oxidizes) and ohmic contact formation. The search for new, more stable window layer materials requires a means to compare their surface passivation ability. Therefore, a device structure is needed to easily test the performance of different passivating candidates. Such a test device is described.

  18. Electrostatic powder spraying process for the fabrication of stable superhydrophobic surfaces

    Science.gov (United States)

    Gu, Guotuan; Tian, Yuping; Li, Zhantie; Lu, Dongfang

    2011-03-01

    Nano-sized Al2O3 particles were modified by heptadecafluorodecyl trimethoxysilane and 2,3-epoxy propoxy propyl trimethoxysilicane to make it both hydrophobic and reactive. The reactive nano-particles were mixed with polyester resin containing curing agents and electrostatic sprayed on stainless steel substrates to obtain stable superhydrophobic coatings after curing. The water contact angle (WCA) on the hybrid coating is influenced by the content of Al2O3 particles in the coating. As the Al2O3 concentration in the coating was increased from 0% to 8%, WCA increased from 68° to 165°. Surface topography of the coatings was examined using scanning electron microscopy (SEM). Nano-particles covered on the coating surface formed continuous film with greatly enhanced roughness, which was found to be responsible for the superhydrophobicity. The method is simple and cost effective and can be used for preparing self-cleaning superhydrophobic coating on large areas.

  19. Electrostatic powder spraying process for the fabrication of stable superhydrophobic surfaces

    International Nuclear Information System (INIS)

    Gu Guotuan; Tian Yuping; Li Zhantie; Lu Dongfang

    2011-01-01

    Nano-sized Al 2 O 3 particles were modified by heptadecafluorodecyl trimethoxysilane and 2,3-epoxy propoxy propyl trimethoxysilicane to make it both hydrophobic and reactive. The reactive nano-particles were mixed with polyester resin containing curing agents and electrostatic sprayed on stainless steel substrates to obtain stable superhydrophobic coatings after curing. The water contact angle (WCA) on the hybrid coating is influenced by the content of Al 2 O 3 particles in the coating. As the Al 2 O 3 concentration in the coating was increased from 0% to 8%, WCA increased from 68 o to 165 o . Surface topography of the coatings was examined using scanning electron microscopy (SEM). Nano-particles covered on the coating surface formed continuous film with greatly enhanced roughness, which was found to be responsible for the superhydrophobicity. The method is simple and cost effective and can be used for preparing self-cleaning superhydrophobic coating on large areas.

  20. Structural and electronic properties of low-index stoichiometric BiOI surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Wen-Wu; Zhao, Zong-Yan, E-mail: zzy@kmust.edu.cn

    2017-06-01

    As promising photocatalyst driven by visible-light, BiOI has attracted more and more attention in the past years. However, the surface structure and properties of BiOI that is the most important place for the photocatalytic have not been investigated in details. To this end, density functional theory was performed to calculate the structural and electronic properties of four low-index stoichiometric surfaces of BiOI. It is found that the relaxation of the low-index BiOI surfaces are relatively small, especially the (001) surface. Thus, the surface energies of BiOI are very relatively small. Moreover, there are a few surface states below the bottom of conduction band in the first layer except the (001) surface, which maybe capture the photo-excited carriers. In all of the most stable terminated planes, all the dangling bonds are cleaved from the broken Bi-O bonds. In the case of (001) surface, the dangling bond density of Bi atoms for the (001) surface is zero per square nano. Therefore, the (001) surface is thermodynamically lowest-energy surface of BiOI, and it is the predominant surface (51.4%). As a final remark, the dangling bonds density of bismuth atoms determines not only the surface energy, but also the surface relaxation. Finally, the equilibrium morphology of BiOI was also proposed and provided, which is determined through the Wulff construction. These results will help us to better understand the underlying photocatalytic mechanism that is related to BiOI surfaces, and provide theoretical support for some experimental studies about BiOI-based photocatalyst in future. - Highlights: • Four low-index BiOI surfaces have been calculated by DFT method. • The relaxations of the low-index BiOI surfaces are relatively small. • There are a few surface states below the bottom of conduction band in the first layer. • The dangling bonds density of bismuth atoms determines not only the surface energy, but also the surface relaxation. • The thermodynamic

  1. Quantification of long-term wastewater fluxes at the surface water/groundwater-interface: an integrative model perspective using stable isotopes and acesulfame.

    Science.gov (United States)

    Engelhardt, I; Barth, J A C; Bol, R; Schulz, M; Ternes, T A; Schüth, C; van Geldern, R

    2014-01-01

    The suitability of acesulfame to trace wastewater-related surface water fluxes from streams into the hyporheic and riparian zones over long-term periods was investigated. The transport behavior of acesulfame was compared with the transport of water stable isotopes (δ(18)O or δ(2)H). A calibrated model based on a joint inversion of temperature, acesulfame, and piezometric pressure heads was employed in a model validation using data sets of acesulfame and water stable isotopes collected over 5months in a stream and groundwater. The spatial distribution of fresh water within the groundwater resulting from surface water infiltration was estimated by computing groundwater ages and compared with the predicted acesulfame plume obtained after 153day simulation time. Both, surface water ratios calculated with a mixing equation from water stable isotopes and simulated acesulfame mass fluxes, were investigated for their ability to estimate the contribution of wastewater-related surface water inflow within groundwater. The results of this study point to limitations for the application of acesulfame to trace surface water-groundwater interactions properly. Acesulfame completely missed the wastewater-related surface water volumes that still remained in the hyporheic zone under stream-gaining conditions. In contrast, under stream-losing conditions, which developed after periods of stagnating hydraulic exchange, acesulfame based predictions lead to an overestimation of the surface water volume of up to 25% in the riparian zone. If slow seepage velocities prevail a proportion of acesulfame might be stored in smaller pores, while when released under fast flowing water conditions it will travel further downstream with the groundwater flow direction. Therefore, under such conditions acesulfame can be a less-ideal tracer in the hyporheic and riparian zones and additional monitoring with other environmental tracers such as water stable isotopes is highly recommended. © 2013 Elsevier

  2. Production of stable superhydrophilic surfaces on 316L steel by simultaneous laser texturing and SiO2 deposition

    Science.gov (United States)

    Rajab, Fatema H.; Liu, Zhu; Li, Lin

    2018-01-01

    Superhydrophilic surfaces with liquid contact angles of less than 5 ° have attracted much interest in practical applications including self-cleaning, cell manipulation, adhesion enhancement, anti-fogging, fluid flow control and evaporative cooling. Standard laser metal texturing method often result in unstable wetting characteristics, i.e. changing from super hydrophilic to hydrophobic in a few days or weeks. In this paper, a simple one step method is reported for fabricating a stable superhydrophilic metallic surface that lasted for at least 6 months. Here, 316L stainless steel substrates were textured using a nanosecond laser with in-situ SiO2 deposition. Morphology and chemistry of laser-textured surfaces were characterised using SEM, XRD, XPS and an optical 3D profiler. Static wettability analysis was carried out over a period of 6 months after the laser treatment. The effect of surface roughness on wettability was also studied. Results showed that the wettability of the textured surfaces could be controlled by changing the scanning speed of laser beam and number of passes. The main reason for the realisation of the stable superhydrophilic surface is the combination of the melted glass particles mainly Si and O with that of stainless steel in the micro-textured patterns. This study presents a useful method

  3. Antiferromagnetic MnN layer on the MnGa(001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero-Sánchez, J., E-mail: guerrero@cnyn.unam.mx; Takeuchi, Noboru

    2016-12-30

    Highlights: • A ferromagnetic Gallium terminated surface is stable before N incorporation. • After N incorporation, an antiferromagnetic MnN layer becomes stable in a wide range of chemical potential. • Spin density distribution shows an antiferromagnetic/ferromagnetic (MnN/MnGa) arrangement at the surface. - Abstract: Spin polarized first principles total energy calculations have been applied to study the stability and magnetic properties of the MnGa(001) surface and the formation of a topmost MnN layer with the deposit of nitrogen. Before nitrogen adsorption, surface formation energies show a stable gallium terminated ferromagnetic surface. After incorporation of nitrogen atoms, the antiferromagnetic manganese terminated surface becomes stable due to the formation of a MnN layer (Mn-N bonding at the surface). Spin density distribution shows a ferromagnetic/antiferromagnetic arrangement in the first surface layers. This thermodynamically stable structure may be exploited to growth MnGa/MnN magnetic heterostructures as well as to look for exchange biased systems.

  4. Stable structures of coalitions in competitive and altruistic military teams

    Science.gov (United States)

    Aurangzeb, M.; Mikulski, D.; Hudas, G.; Lewis, F. L.; Gu, Edward

    2013-05-01

    In heterogeneous battlefield teams, the balance between team and individual objectives forms the basis for the internal topological structure of teams. The stability of team structure is studied by presenting a graphical coalitional game (GCG) with Positional Advantage (PA). PA is Shapley value strengthened by the Axioms of value. The notion of team and individual objectives is studied by defining altruistic and competitive contribution made by an individual; altruistic and competitive contributions made by an agent are components of its total or marginal contribution. Moreover, the paper examines dynamic team effects by defining three online sequential decision games based on marginal, competitive and altruistic contributions of the individuals towards team. The stable graphs under these sequential decision games are studied and found to be structurally connected, complete, or tree respectively.

  5. Dipolar Quinoidal Acene Analogues as Stable Isoelectronic Structures of Pentacene and Nonacene

    KAUST Repository

    Shi, Xueliang

    2015-10-08

    Quinoidal thia-acene analogues, as the respective isoelectronic structures of pentacene and nonacene, were synthesized and an unusual 1,2-sulfur migration was observed during the Friedel-Crafts alkylation reaction. The analogues display a closed-shell quinoidal structure in the ground state with a distinctive dipolar character. In contrast to their acene isoelectronic structures, both compounds are stable because of the existence of more aromatic sextet rings, a dipolar character, and kinetic blocking. They exhibit unique packing in single crystals resulting from balanced dipole-dipole and [C-H⋯π]/[C-H⋯S] interactions.

  6. Embodied memory: effective and stable perception by combining optic flow and image structure.

    Science.gov (United States)

    Pan, Jing Samantha; Bingham, Ned; Bingham, Geoffrey P

    2013-12-01

    Visual perception studies typically focus either on optic flow structure or image structure, but not on the combination and interaction of these two sources of information. Each offers unique strengths in contrast to the other's weaknesses. Optic flow yields intrinsically powerful information about 3D structure, but is ephemeral. It ceases when motion stops. Image structure is less powerful in specifying 3D structure, but is stable. It remains when motion stops. Optic flow and image structure are intrinsically related in vision because the optic flow carries one image to the next. This relation is especially important in the context of progressive occlusion, in which optic flow provides information about the location of targets hidden in subsequent image structure. In four experiments, we investigated the role of image structure in "embodied memory" in contrast to memory that is only in the head. We found that either optic flow (Experiment 1) or image structure (Experiment 2) alone were relatively ineffective, whereas the combination was effective and, in contrast to conditions requiring reliance on memory-in-the-head, much more stable over extended time (Experiments 2 through 4). Limits well documented for visual short memory (that is, memory-in-the-head) were strongly exceeded by embodied memory. The findings support J. J. Gibson's (1979/1986, The Ecological Approach to Visual Perception, Boston, MA, Houghton Mifflin) insights about progressive occlusion and the embodied nature of perception and memory.

  7. Numerically stable fluid–structure interactions between compressible flow and solid structures

    KAUST Repository

    Grétarsson, Jón Tómas

    2011-04-01

    We propose a novel method to implicitly two-way couple Eulerian compressible flow to volumetric Lagrangian solids. The method works for both deformable and rigid solids and for arbitrary equations of state. The method exploits the formulation of [11] which solves compressible fluid in a semi-implicit manner, solving for the advection part explicitly and then correcting the intermediate state to time tn+1 using an implicit pressure, obtained by solving a modified Poisson system. Similar to previous fluid-structure interaction methods, we apply pressure forces to the solid and enforce a velocity boundary condition on the fluid in order to satisfy a no-slip constraint. Unlike previous methods, however, we apply these coupled interactions implicitly by adding the constraint to the pressure system and combining it with any implicit solid forces in order to obtain a strongly coupled, symmetric indefinite system (similar to [17], which only handles incompressible flow). We also show that, under a few reasonable assumptions, this system can be made symmetric positive-definite by following the methodology of [16]. Because our method handles the fluid-structure interactions implicitly, we avoid introducing any new time step restrictions and obtain stable results even for high density-to-mass ratios, where explicit methods struggle or fail. We exactly conserve momentum and kinetic energy (thermal fluid-structure interactions are not considered) at the fluid-structure interface, and hence naturally handle highly non-linear phenomenon such as shocks, contacts and rarefactions. © 2011 Elsevier Inc.

  8. Ab initio simulation of structure and surface energy of low-index surfaces of stoichiometric α-Fe2O3

    Science.gov (United States)

    Stirner, Thomas; Scholz, David; Sun, Jizhong

    2018-05-01

    The structure and surface energy of a series of low-index surfaces of stoichiometric α-Fe2O3 (hematite) are investigated using the periodic Hartree-Fock approach with an a posteriori correction of the correlation energy. The simulations show that, amongst the modeled facets, (01 1 bar2) and (0001) are the most stable surfaces of hematite, which is consistent with the fact that the latter are the dominant growth faces exposed on natural α-Fe2O3. The Fe-terminated (0001) surface is shown to exhibit a large relaxation of the surface atoms. It is argued that this arises mainly due to the fact that the surface cations are located opposite empty cation sites in the filled-filled-unfilled cation sequence along the c-axis. In contrast, the (01 1 bar2) plane cuts the crystal through a plane of empty cation sites, thus giving rise to relatively small relaxations and surface energies. The small relaxations and concomitant exposure of five-coordinate cation sites may be important for the catalytic activity of hematite. The simulations also show that the relative stability of the investigated surfaces changes after a full lattice relaxation with the (0001) and (11 2 bar6) facets relaxing disproportionately large. Wherever possible, the simulations are compared with previous simulation data and experimental results. A Wulff-Gibbs construction is also presented.

  9. Optimal physiological structure of small neurons to guarantee stable information processing

    Science.gov (United States)

    Zeng, S. Y.; Zhang, Z. Z.; Wei, D. Q.; Luo, X. S.; Tang, W. Y.; Zeng, S. W.; Wang, R. F.

    2013-02-01

    Spike is the basic element for neuronal information processing and the spontaneous spiking frequency should be less than 1 Hz for stable information processing. If the neuronal membrane area is small, the frequency of neuronal spontaneous spiking caused by ion channel noise may be high. Therefore, it is important to suppress the deleterious spontaneous spiking of the small neurons. We find by simulation of stochastic neurons with Hodgkin-Huxley-type channels that the leakage system is critical and extremely efficient to suppress the spontaneous spiking and guarantee stable information processing of the small neurons. However, within the physiological limit the potassium system cannot do so. The suppression effect of the leakage system is super-exponential, but that of the potassium system is quasi-linear. With the minor physiological cost and the minimal consumption of metabolic energy, a slightly lower reversal potential and a relatively larger conductance of the leakage system give the optimal physiological structure to suppress the deleterious spontaneous spiking and guarantee stable information processing of small neurons, dendrites and axons.

  10. Are Vicinal Metal Surfaces Stable?

    DEFF Research Database (Denmark)

    Frenken, J. W. M.; Stoltze, Per

    1999-01-01

    We use effective medium theory to demonstrate that the energies of many metal surfaces are lowered when these surfaces are replaced by facets with lower-index orientations. This implies that the low-temperature equilibrium shapes of many metal crystals should be heavily faceted. The predicted...... instability of vicinal metal surfaces is at variance with the almost generally observed stability of these surfaces. We argue that the unstable orientations undergo a defaceting transition at relatively low temperatures, driven by the high vibrational entropy of steps....

  11. Annealing assisted structural and surface morphological changes in Langmuir–Blodgett films of nickel octabutoxy phthalocyanine

    Energy Technology Data Exchange (ETDEWEB)

    Shilpa Harish, T.; Viswanath, P., E-mail: viswanath@cnsms.res.in

    2016-01-01

    We report our studies on thin films of metallo-phthalocyanine (MPc), Nickel(II)1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine (NiPc(OBu){sub 8}) transferred in a well defined thermodynamic state over a self assembled monolayer (octadecyl trichlorosilane)/SiO{sub 2}/Si substrate using the Langmuir–Blodgett (LB) method. The films are characterized using differential scanning calorimetry (DSC), grazing incidence X-ray diffraction (GIXD) and atomic force microscopy (AFM) techniques. DSC studies on powdered samples in the bulk indicate enantiotropic solid–solid phase transition. GIXD studies on the as-deposited LB film show a Bragg peak indicating crystallinity of the thin film. Annealing (373 K) results in reduction of lattice spacing (1.21 Å) signifying changes in molecular packing within the unit cell. At this stage, an additional Bragg peak is observed which grows at the expense of the former one and they coexist between 373 K and 423 K. A discontinuity in lattice spacing from 20.73 to 15.12 Å with annealing indicates clearly a structural change of the underlying crystalline lattice. Correspondingly, the surface morphology images obtained using AFM show, with annealing, a transformation from spherical granular morphology to elongated, flat crystallites suggesting asymmetric growth process. Statistical parameters of the grain extracted from the AFM images show that the size, fractal dimension and circularity are affected by annealing. Based on these studies, we infer the structural and surface morphological changes of the meta-stable phase (Form I) to the stable phase (Form II) in annealed LB films of phthalocyanine. - Highlights: • Langmuir–Blodgett (LB) films of phthalocyanine subjected to thermal annealing. • Structural transformation and coexistence of polymorphs in LB films • Surface morphology changes from nanoscale grains to elongated crystallites. • Reduction of fractal dimension and circularity index reveals asymmetric growth.

  12. On the electronic, structural, and thermodynamic properties of Au supported on α-Fe{sub 2}O{sub 3} surfaces and their interaction with CO

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Manh-Thuong, E-mail: manhth.nguyen@gmail.com; Gebauer, Ralph [The Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, 34151 Trieste (Italy); Farnesi Camellone, Matteo, E-mail: mfarnesi@sissa.it [CNR-IOM DEMOCRITOS, Istituto Officina dei Materiali, Consiglio Nazionale delle Ricerche and SISSA Scuola Internazionale di Studi Superiori Avanzati, Via Bonomea 265, I-34136 Trieste (Italy)

    2015-07-21

    Extensive first principles calculations are carried out to investigate Au monomers and dimers supported on α-Fe{sub 2}O{sub 3}(0001) surfaces in terms of structure optimizations, electronic structure analyses, and ab initio thermodynamics calculations of surface phase diagrams. All computations rely on density functional theory in the generalized gradient approximation (Perdew-Burke-Ernzerhof (PBE)) and account for on-site Coulomb interactions via inclusion of a Hubbard correction (PBE+U). The relative stability of Au monomers/dimers on the stoichiometric termination of α-Fe{sub 2}O{sub 3}(0001) decorated with various vacancies (multiple oxygen vacancies, iron vacancy, and mixed iron-oxygen vacancies) has been computed as a function of the oxygen chemical potential. The charge rearrangement induced by Au at the oxide contact is analyzed in detail and discussed. On one hand, ab initio thermodynamics predicts that under O-rich conditions, structures obtained by replacing a surface Fe atom with a Au atom are thermodynamically stable over a wide range of temperatures. On the other hand, the complex of a CO molecule on a Au atom substituting surface Fe atoms is thermodynamically stable only in a much more narrow range of values of the O chemical potential under O-rich conditions. In the case of a Au dimer, under O-rich conditions, supported Au atoms at an O-Fe di-vacancy are more stable. However, upon CO adsorption, the complex of a CO molecule and 2 Au atoms located at a single Fe vacancy is more favorable.

  13. Shrink-Induced Superhydrophobic and Antibacterial Surfaces in Consumer Plastics

    Science.gov (United States)

    Freschauf, Lauren R.; McLane, Jolie; Sharma, Himanshu; Khine, Michelle

    2012-01-01

    Structurally modified superhydrophobic surfaces have become particularly desirable as stable antibacterial surfaces. Because their self-cleaning and water resistant properties prohibit bacteria growth, structurally modified superhydrophobic surfaces obviate bacterial resistance common with chemical agents, and therefore a robust and stable means to prevent bacteria growth is possible. In this study, we present a rapid fabrication method for creating such superhydrophobic surfaces in consumer hard plastic materials with resulting antibacterial effects. To replace complex fabrication materials and techniques, the initial mold is made with commodity shrink-wrap film and is compatible with large plastic roll-to-roll manufacturing and scale-up techniques. This method involves a purely structural modification free of chemical additives leading to its inherent consistency over time and successive recasting from the same molds. Finally, antibacterial properties are demonstrated in polystyrene (PS), polycarbonate (PC), and polyethylene (PE) by demonstrating the prevention of gram-negative Escherichia coli (E. coli) bacteria growth on our structured plastic surfaces. PMID:22916100

  14. Projective and superconformal structures on surfaces

    International Nuclear Information System (INIS)

    Harvey, W.J.

    1990-01-01

    Much attention has recently been given to the study of super Riemann surfaces. Detailed accounts of these objects and their infinitesimal deformation theory are referenced where they are fitted into the framework of complex supermanifolds, superconformal structures and graded sheaves. One difficulty, which seems even more of a barrier than in the case of classical deformations of Riemann surface structure, is the lack of a good global description of super-moduli spaces. In this note, we outline an approach which places the theory in the classical setting of projective structures on variable Riemann surfaces. We explain how to construct a distribution (family of vector subspaces) inside the holomorphic cotangent space to the moduli space M g of Riemann surfaces with genus g and furnished with a level-4 homology structure, such that the corresponding rank-(2g-2) complex vector bundle models the soul deformations of a family of super-Riemann surfaces. The keystone in this construction is the existence of holomorphic sections for the space of non-singular odd theta characteristics on C g the universal curve over M g . (author)

  15. Photoelectric effect in surface-barrier structures

    International Nuclear Information System (INIS)

    Kononenko, V.K.; Tupenevich, P.A.

    1985-08-01

    Deviations from the Fowler law were observed when investigating photoelectric emission in p-type ZnTe surface-barrier structures. The revealed peculiarities of the structure photosensitivity spectrum are explained by the electron transitions involving surface states at the metal-semiconductor interface. (author)

  16. Highly transparent, stable, and superhydrophobic coatings based on gradient structure design and fast regeneration from physical damage

    International Nuclear Information System (INIS)

    Chen, Zao; Liu, Xiaojiang; Wang, Yan; Li, Jun; Guan, Zisheng

    2015-01-01

    Graphical abstract: - Highlights: • Highly transparent, stable, and superhydrophobic PET film was fabricated by dip-coating way. • The gradient structure is beneficial to both hydrophobicity and transparency. • The superhydrophobic PET film after physical damage can quickly regain by one-step spary. • The fabrication method is available for various substrates and large-scale production. - Abstract: Optical transparency, mechanical flexibility, and fast regeneration are important factors to expand the application of superhydrophobic surfaces. Herein, we fabricated highly transparent, stable, and superhydrophobic coatings through a novel gradient structure design by versatile dip-coating of silica colloid particles (SCPs) and diethoxydimethysiliane cross-linked silica nanoparticles (DDS-SNPs) on polyethylene terephthalate (PET) film and glass, followed by the modification of octadecyltrichlorosiliane (OTCS). When the DDS concentration reached 5 wt%, the modified SCPs/DDS-SNPs coating exhibited a water contact angle (WCA) of 153° and a sliding angle (SA) <5°. Besides, the average transmittance of this superhydrophobic coating on PET film and glass was increased by 2.7% and 1% in the visible wavelength, respectively. This superhydrophobic coating also showed good robustness and stability against water dropping impact, ultrasonic damage, and acid solution. Moreover, the superhydrophobic PET film after physical damage can quickly regain the superhydrophobicity by one-step spray regenerative solution of dodecyltrichlorosilane (DTCS) modified silica nanoparticles at room temperature. The demonstrated method for the preparation and regeneration of superhydrophobic coating is available for different substrates and large-scale production at room temperature.

  17. 30 CFR 75.1708 - Surface structures, fireproofing.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Surface structures, fireproofing. 75.1708... structures, fireproofing. [Statutory Provisions] After March 30, 1970, all structures erected on the surface within 100 feet of any mine opening shall be of fireproof construction. Unless structures existing on or...

  18. Surface structure of AU3Cu(001)

    DEFF Research Database (Denmark)

    Eckstein, G.A.; Maupai, S.; Dakkouri, A.S.

    1999-01-01

    The surface morphology, composition, and structure of Au3Cu(001) as determined by scanning tunneling microscopy and surface x-ray diffraction are presented. Atomic resolution STM images reveal distinctive geometric features. The analysis of the surface x-ray diffraction data provides clear evidence...... for the surface structure. [S0163-1829(99)04535-X]....

  19. Novel Metal-Sulfur-Based Air-Stable Passivation of GaAs with Very Low Surface State Densities

    Energy Technology Data Exchange (ETDEWEB)

    Ashby, Carol I.H.; Baca, Albert G.; Chang, P.-C; Hafich, M.J.; Hammons, B.E.; Zavadil, Kevin R.

    1999-08-09

    A new air-stable electronic surface passivation for GaAs and other III-V compound semiconductors that employs sulfur and a suitable metal ion, e.g., Zn, and that is robust towards plasma dielectric deposition has been developed. Initial improvements in photoluminescence are twice that of S-only treatments and have been preserved for >11 months with SiO{sub x}N{sub y} dielectric encapsulation. Photoluminescence and X-ray photoelectron spectroscopies indicate that the passivation consists of two major components with one being stable for >2 years in air. This process improves heterojunction bipolar transistor current gain for both large and small area devices.

  20. Theoretical studies of structural and electronic properties of overlayers on semiconductor surfaces

    International Nuclear Information System (INIS)

    Cakmak, M.

    1999-06-01

    In this thesis we report the results of ab initio density functional calculations of equilibrium atomic geometry, electronic states and chemical bonding for the adsorption of elemental S and H 2 S on chosen semiconductor surfaces. The results are in good agreement with the available experimental results and indicate the need for further experimental work. In Chapter 2 of this thesis, I describe the formalism of the ab initio pseudopotential theory and the computational procedures which are used in this thesis. In the following chapter, a few experimental techniques are discussed, which we subsequently use their results to compare with our theoretical calculated results. In Chapter 4 the passivation of S on InP(110) is investigated. Two sets of geometries are used; non-reacted geometries and reacted geometries. For non-reacted full-monolayer coverage, the epitaxially continued layer structure is found to be the most energetically favourable and it exhibits a good semiconducting nature. For an ordered reacted model with the adsorbate S atoms exchanged with their neighbouring P atoms, the average vertical distance between the top two layers is in agreement with x-ray standing wave analysis, but is characterized by a small band gap. In Chapter 5 adsorption of the H 2 S molecule on the InP(110), GaAs(110) and GaP(110) surfaces is investigated within a dissociative adsorption model. In general the adsorption of H 2 S on the three semiconductors shows similar behaviour. In Chapter 6 the adsorption of elemental S on Si(001) is investigated using three adsorption models; hemisulfide-(2 x 1) structure, monosulfide-(1 x 1) structure, and disulfide-(1 x 1) structure. An analysis of the surface free energy suggests that the monosulfide structure is more stable than the hemisulfide and disulfide structures. This result is also used to investigate the adsorption of elemental S on the Ge(001) surface. In Chapter 7, the adsorption of the H 2 S molecule on the Si(001) and Ge(001

  1. Quantification of long-term wastewater fluxes at the surface water/groundwater-interface: An integrative model perspective using stable isotopes and acesulfame

    Energy Technology Data Exchange (ETDEWEB)

    Engelhardt, I., E-mail: i.engelhardt@fz-juelich.de [Forschungszentrum Jülich, Institute of Bio- and Geosciences, Agrosphere — IBG-3 (Germany); Technical University of Darmstadt, Institute of Applied Geosciences (Germany); Barth, J.A.C. [GeoZentrum Nordbayern, University of Erlangen-Nuremberg (Germany); Bol, R. [Forschungszentrum Jülich, Institute of Bio- and Geosciences, Agrosphere — IBG-3 (Germany); Schulz, M.; Ternes, T.A. [Federal Institute of Hydrology (BfG) (Germany); Schüth, C. [Technical University of Darmstadt, Institute of Applied Geosciences (Germany); van Geldern, R. [GeoZentrum Nordbayern, University of Erlangen-Nuremberg (Germany)

    2014-01-01

    The suitability of acesulfame to trace wastewater-related surface water fluxes from streams into the hyporheic and riparian zones over long-term periods was investigated. The transport behavior of acesulfame was compared with the transport of water stable isotopes (δ{sup 18}O or δ{sup 2}H). A calibrated model based on a joint inversion of temperature, acesulfame, and piezometric pressure heads was employed in a model validation using data sets of acesulfame and water stable isotopes collected over 5 months in a stream and groundwater. The spatial distribution of fresh water within the groundwater resulting from surface water infiltration was estimated by computing groundwater ages and compared with the predicted acesulfame plume obtained after 153 day simulation time. Both, surface water ratios calculated with a mixing equation from water stable isotopes and simulated acesulfame mass fluxes, were investigated for their ability to estimate the contribution of wastewater-related surface water inflow within groundwater. The results of this study point to limitations for the application of acesulfame to trace surface water–groundwater interactions properly. Acesulfame completely missed the wastewater-related surface water volumes that still remained in the hyporheic zone under stream-gaining conditions. In contrast, under stream-losing conditions, which developed after periods of stagnating hydraulic exchange, acesulfame based predictions lead to an overestimation of the surface water volume of up to 25% in the riparian zone. If slow seepage velocities prevail a proportion of acesulfame might be stored in smaller pores, while when released under fast flowing water conditions it will travel further downstream with the groundwater flow direction. Therefore, under such conditions acesulfame can be a less-ideal tracer in the hyporheic and riparian zones and additional monitoring with other environmental tracers such as water stable isotopes is highly recommended

  2. Surface magnetic structures in amorphous ferromagnetic microwires

    Energy Technology Data Exchange (ETDEWEB)

    Usov, N.A., E-mail: usov@obninsk.ru [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation); Pushkov Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation, Russian Academy of Sciences, IZMIRAN, 108840 Troitsk, Moscow (Russian Federation); Serebryakova, O.N.; Gudoshnikov, S.A. [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation); Pushkov Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation, Russian Academy of Sciences, IZMIRAN, 108840 Troitsk, Moscow (Russian Federation); Tarasov, V.P. [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation)

    2017-05-01

    The spatial period of magnetization perturbations that occur near the surface of magnetic nanotube or nanowire under the influence of surface magnetic anisotropy is determined by means of numerical simulation as a function of the sample geometry and material parameters. The surface magnetization distribution obtained is then used to estimate the period of the surface magnetic texture in amorphous microwire of several micrometers in diameter by means of appropriate variational procedure. The period of the surface magnetic texture in amorphous microwire is found to be significantly smaller than the wire diameter. - Highlights: • Magnetic structure may arise near the magnetic nanotube surface under the influence of surface magnetic anisotropy. • The period of the surface magnetization pattern is calculated as a function of the sample geometry. • Similar magnetic structure may exist in amorphous microwire of several micrometers in diameter. • The period of the surface magnetic structure in amorphous wire is found to be significantly smaller than the wire diameter.

  3. Diamond surface: atomic and electronic structure

    International Nuclear Information System (INIS)

    Pate, B.B.

    1984-01-01

    Experimental studies of the diamond surface (with primary emphasis on the (111) surface) are presented. Aspects of the diamond surface which are addressed include (1) the electronic structure, (2) the atomic structure, and (3) the effect of termination of the lattice by foreign atoms. Limited studies of graphite are discussed for comparison with the diamond results. Experimental results from valence band and core level photoemission spectroscopy (PES), Auger electron spectroscopy (AES), low energy electron diffraction (LEED), and carbon 1s near edge x-ray absorption fine structure (NEXAFS) spectroscopy (both the total electron yield (TEY) and Auger electron yield (AEY) techniques) are used to study and characterize both the clean and hydrogenated surface. In addition, the interaction of hydrogen with the diamond surface is examined using results from vibrational high resolution low energy electron loss spectroscopy (in collaboration with Waclawski, Pierce, Swanson, and Celotta at the National Bureau of Standards) and photon stimulated ion desorption (PSID) yield at photon energies near the carbon k-edge (hv greater than or equal to 280 eV). Both EELS and PSID verify that the mechanically polished 1 x 1 surface is hydrogen terminated and also that the reconstructed surface is hydrogen free. The (111) 2 x 2/2 x 1 reconstructed surface is obtained from the hydrogenated (111) 1 x 1:H surface by annealing to approx. = 1000 0 C. We observe occupied intrinsic surface states and a surface chemical shift (0.95 +- 0.1 eV) to lower binding energy of the carbon 1s level on the hydrogen-free reconstructed surface. Atomic hydrogen is found to be reactive with the reconstructed surface, while molecular hydrogen is relatively inert. Exposure of the reconstructed surface to atomic hydrogen results in chemisorption of hydrogen and removal of the intrinsic surface state emission in and near the band gap region

  4. Phase behaviour and structure of stable complexes of oppositely charged polyelectrolytes

    Science.gov (United States)

    Mengarelli, V.; Auvray, L.; Zeghal, M.

    2009-03-01

    We study the formation and structure of stable electrostatic complexes between oppositely charged polyelectrolytes, a long polymethacrylic acid and a shorter polyethylenimine, at low pH, where the polyacid is weakly charged. We explore the phase diagram as a function of the charge and concentration ratio of the constituents. In agreement with theory, turbidity and ζ potential measurements show two distinct regimes of weak and strong complexation, which appear successively as the pH is increased and are separated by a well-defined limit. Weak complexes observed by neutron scattering and contrast matching have an open, non-compact structure, while strong complexes are condensed.

  5. Surface Engineering of Triboelectric Nanogenerator with an Electrodeposited Gold Nanoflower Structure.

    Science.gov (United States)

    Park, Sang-Jae; Seol, Myeong-Lok; Jeon, Seung-Bae; Kim, Daewon; Lee, Dongil; Choi, Yang-Kyu

    2015-09-14

    A triboelectric nanogenerator composed of gold nanoflowers is demonstrated. The proposed triboelectric nanogenerator creates electricity by contact-separation-based electrification between an anodic metal and a cathodic polymer. For the improvement of output power via the enlargement of the effective surface area in the anodic metal, gold nanoflowers that produce a hierarchical morphology at a micro-to-nano scale by electrodeposition are utilized. The hierarchical morphology is controlled by the applied voltage and deposition time. Even though the triboelectric coefficient of gold is inferior to those of other metals, gold is very attractive to make a flower-like structure by electrodeposition. Moreover, gold is stable against oxidation by oxygen in air. From a reliability and practicality point of view, the aforementioned stability against oxidation is preferred.

  6. 30 CFR 75.1708-1 - Surface structures; fireproof construction.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Surface structures; fireproof construction. 75... Surface structures; fireproof construction. Structures of fireproof construction is interpreted to mean structures with fireproof exterior surfaces. ...

  7. Fabricating a Homogeneously Alloyed AuAg Shell on Au Nanorods to Achieve Strong, Stable, and Tunable Surface Plasmon Resonances

    KAUST Repository

    Huang, Jianfeng; Zhu, Yihan; Liu, Changxu; Zhao, Yunfeng; Liu, Zhaohui; Hedhili, Mohamed N.; Fratalocchi, Andrea; Han, Yu

    2015-01-01

    Colloidal metal nanocrystals with strong, stable, and tunable localized surface plasmon resonances (SPRs) can be useful in a corrosive environment for many applications including field-enhanced spectroscopies, plasmon-mediated catalysis, etc. Here

  8. Contact area measurements on structured surfaces

    DEFF Research Database (Denmark)

    Kücükyildiz, Ömer Can; Jensen, Sebastian Hoppe Nesgaard; De Chiffre, Leonardo

    In connection with the use of brass specimens featuring structured surfaces in a tribology test, an algorithm was developed for automatic measurement of the contact area by optical means.......In connection with the use of brass specimens featuring structured surfaces in a tribology test, an algorithm was developed for automatic measurement of the contact area by optical means....

  9. MR imaging of brain surface structures: Surface anatomy scanning

    International Nuclear Information System (INIS)

    Katada, K.; Koga, S.; Asahina, M.; Kanno, T.; Asahina, K.

    1987-01-01

    Preoperative evaluation of brain surface anatomy, including cortical sulci and veins, relative to cerebral and cerebellar lesions is an important subject for surgeons. Until now, no imaging modality existed that allowed direct visualization of brain surface anatomy. A new MR imaging technique (surface anatomy scanning) was developed to visualize brain surface structures. The technique uses a spin-echo pulse sequence with long repetition and echo times, thick sections and a surface coil. Cortical sulci, fissures, veins, and intracranial lesions were clearly identified with this technique. Initial clinical results indicate that surface anatomy scanning is useful for lesion localization and for detailed evaluation of cortical and subcortical lesions

  10. Design and Fabrication of a Hybrid Superhydrophobic-Hydrophilic Surface That Exhibits Stable Dropwise Condensation.

    Science.gov (United States)

    Mondal, Bikash; Mac Giolla Eain, Marc; Xu, QianFeng; Egan, Vanessa M; Punch, Jeff; Lyons, Alan M

    2015-10-28

    Condensation of water vapor is an essential process in power generation, water collection, and thermal management. Dropwise condensation, where condensed droplets are removed from the surface before coalescing into a film, has been shown to increase the heat transfer efficiency and water collection ability of many surfaces. Numerous efforts have been made to create surfaces which can promote dropwise condensation, including superhydrophobic surfaces on which water droplets are highly mobile. However, the challenge with using such surfaces in condensing environments is that hydrophobic coatings can degrade and/or water droplets on superhydrophobic surfaces transition from the mobile Cassie to the wetted Wenzel state over time and condensation shifts to a less-effective filmwise mechanism. To meet the need for a heat-transfer surface that can maintain stable dropwise condensation, we designed and fabricated a hybrid superhydrophobic-hydrophilic surface. An array of hydrophilic needles, thermally connected to a heat sink, was forced through a robust superhydrophobic polymer film. Condensation occurs preferentially on the needle surface due to differences in wettability and temperature. As the droplet grows, the liquid drop on the needle remains in the Cassie state and does not wet the underlying superhydrophobic surface. The water collection rate on this surface was studied using different surface tilt angles, needle array pitch values, and needle heights. Water condensation rates on the hybrid surface were shown to be 4 times greater than for a planar copper surface and twice as large for silanized silicon or superhydrophobic surfaces without hydrophilic features. A convection-conduction heat transfer model was developed; predicted water condensation rates were in good agreement with experimental observations. This type of hybrid superhydrophobic-hydrophilic surface with a larger array of needles is low-cost, robust, and scalable and so could be used for heat

  11. Compact surface structures for the efficient excitation of surface plasmon-polaritons

    Energy Technology Data Exchange (ETDEWEB)

    De la Cruz, S.; Mendez, E.R. [Division de Fisica Applicada, Centro de Investigacion Cientifica y de Educacion Superior de Ensenada, Carretera Ensenada-Tijuana No. 3918, Ensenada 22860, BC (Mexico); Macias, D.; Salas-Montiel, R.; Adam, P.M. [Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de Technologie de Troyes, 12 rue Marie Curie, BP-2060, 10010 Troyes Cedex (France)

    2012-06-15

    We present calculations of the efficiency of excitation of surface plasmon-polaritons (SPPs) with surface structures illuminated by focussed beams. First, it is shown that the low reflectivity observed with broad highly directional beams and periodic gratings does not necessarily imply an efficient coupling to SPPs. We then consider the coupling through surface features like steps, grooves and angled steps, and calculate efficiency maps for these structures as functions of the parameters that define them. Finally, we explore the possibilities of improving the coupling efficiency using periodic structures consisting of a small number of rectangular grooves. We find that a surface section with a length of about four wavelengths can couple as much as 45% of the incident light into a directional SPP. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Moulding of Sub-micrometer Surface Structures

    DEFF Research Database (Denmark)

    Pranov, Henrik; Rasmussen, Henrik K.; Larsen, Niels Bent

    2006-01-01

    The experiments strongly suggest that the possibility to injection mould sub-micrometer surface structures in polymers mainly relates to the forces originating from the adhesive energy between polymer and shim.......The experiments strongly suggest that the possibility to injection mould sub-micrometer surface structures in polymers mainly relates to the forces originating from the adhesive energy between polymer and shim....

  13. Wall-crossing between stable and co-stable ADHM data

    Science.gov (United States)

    Ohkawa, Ryo

    2018-06-01

    We prove formula between Nekrasov partition functions defined from stable and co-stable ADHM data for the plane following method by Nakajima and Yoshioka (Kyoto J Math 51(2):263-335, 2011) based on the theory of wall-crossing formula developed by Mochizuki (Donaldson type invariants for algebraic surfaces: transition of moduli stacks, Lecture notes in mathematics, vol 1972, Springer, Berlin, 2009). This formula is similar to conjectures by Ito et al. [J High Energy Phys 2013(5):045, 2013, (4.1), (4.2)] for A1 singularity.

  14. The structure of reconstructed chalcopyrite surfaces

    Science.gov (United States)

    Thinius, Sascha; Islam, Mazharul M.; Bredow, Thomas

    2018-03-01

    Chalcopyrite (CuFeS2) surfaces are of major interest for copper exploitation in aqueous solution, called leaching. Since leaching is a surface process knowledge of the surface structure, bonding pattern and oxidation states is important for improving the efficiency. At present such information is not available from experimental studies. Therefore a detailed computational study of chalcopyrite surfaces is performed. The structures of low-index stoichiometric chalcopyrite surfaces {hkl} h, k, l ∈ {0, 1, 2} have been studied with density functional theory (DFT) and global optimization strategies. We have applied ab initio molecular dynamics (MD) in combination with simulated annealing (SA) in order to explore possible reconstructions via a minima hopping (MH) algorithm. In almost all cases reconstruction involving substantial rearrangement has occurred accompanied by reduction of the surface energy. The analysis of the change in the coordination sphere and migration during reconstruction reveals that S-S dimers are formed on the surface. Further it was observed that metal atoms near the surface move toward the bulk forming metal alloys passivated by sulfur. The obtained surface energies of reconstructed surfaces are in the range of 0.53-0.95 J/m2.

  15. A chemically stable electrolyte with a novel sandwiched structure for proton-conducting solid oxide fuel cells (SOFCs)

    KAUST Repository

    Bi, Lei; Traversa, Enrico

    2013-01-01

    A chemically stable electrolyte structure was developed for proton-conducting SOFCs by using two layers of stable BaZr0.7Pr 0.1Y0.2O3 -δ to sandwich a highly-conductive but unstable BaCe0.8Y0.2O 3 -δ electrolyte layer. The sandwiched electrolyte

  16. Stable Weyl points, trivial surface states, and particle-hole compensation in WP2

    Science.gov (United States)

    Razzoli, E.; Zwartsenberg, B.; Michiardi, M.; Boschini, F.; Day, R. P.; Elfimov, I. S.; Denlinger, J. D.; Süss, V.; Felser, C.; Damascelli, A.

    2018-05-01

    A possible connection between extremely large magnetoresistance and the presence of Weyl points has garnered much attention in the study of topological semimetals. Exploration of these concepts in transition-metal diphosphides WP2 has been complicated by conflicting experimental reports. Here we combine angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations to disentangle surface and bulk contributions to the ARPES intensity, the superposition of which has plagued the determination of the band structure in WP2. Our results show that while the hole- and electronlike Fermi surface sheets originating from surface states have different areas, the bulk-band structure of WP2 is electron-hole compensated in agreement with DFT. Furthermore, the ARPES band structure is compatible with the presence of at least four temperature-independent Weyl points, confirming the topological nature of WP2 and its stability against lattice distortions.

  17. Intense and stable surface-enhanced Raman scattering from Ag@mesoporous SiO{sub 2} film

    Energy Technology Data Exchange (ETDEWEB)

    Long, Yongjin; Wang, Xiaolong; Chen, Dong; Jiang, Tao, E-mail: jiangtao@nbu.edu.cn; Zhao, Ziqi; Zhou, Jun, E-mail: zhoujun@nbu.edu.cn

    2016-09-15

    A surface-enhanced Raman scattering (SERS) film consisting of mesoporous silica (MSiO{sub 2}) coated Ag nanoparticles (NPs) was achieved. The as-prepared hybrid NPs were uniform in size and formed large amount of aggregates in the film. “Hot spots” were supposed to appear in the MSiO{sub 2} shells with an average size as small as 15 nm. Such a novel core–shell structure therefore induced the enhancement of SERS intensity compared to the film of bare Ag NPs and polymer film of Ag-CMC. The homogeneity and stability of SERS signals from the Ag@MSiO{sub 2} film were also tested. A relative standard deviation of SERS intensity lower than 20% from Raman mapping and a stable SERS signal with excitation power of 100 mW were observed, which were both better than the other two films. Moreover, the obtained Ag@MSiO{sub 2} film was applied to detect thiram pesticides and a detection limit as low as 1×10{sup −8} M was reached, which indicates the advantages of the Ag@MSiO{sub 2} film in biosensor.

  18. ‘Action’ on structured freeform surfaces

    Science.gov (United States)

    Whitehouse, David J.

    2018-06-01

    Surfaces are becoming more complex partly due to the more complicated function required of them and partly due to the introduction of different manufacturing processes. These have thrown into relief the need to consider new ways of measuring and characterizing such surfaces and more importantly to make such characterization more relevant by tying together the geometry and the function more closely. The surfaces which have freeform and structure have been chosen to be a carrier for this investigation because so far there has been little work carried out in this neglected but potentially important area. This necessitates the development of a strategy for their characterization. In this article, some ways have been found of identifying possible strategies for tackling this characterization problem but also linking this characterization to performance and manufacture, based in part on the principles of least action and on the way that nature has evolved to solve the marriage of flexible freeform geometry, structure and function. Recommendations are made for the most suitable surface parameter to use which satisfies the requirement for characterizing structured freeform surfaces as well as utilizing ‘Action’ to predict functionality.

  19. Elucidation of Peptide-Directed Palladium Surface Structure for Biologically Tunable Nanocatalysts

    Energy Technology Data Exchange (ETDEWEB)

    Bedford, Nicholas M.; Ramezani-Dakhel, Hadi; Slocik, Joseph M.; Briggs, Beverly D.; Ren, Yang; Frenkel, Anatoly I.; Petkov, Valeri; Heinz, Hendrik; Naik, Rajesh R.; Knecht, Mark R.

    2015-05-01

    Peptide-enabled synthesis of inorganic nanostructures represents an avenue to access catalytic materials with tunable and optimized properties. This is achieved via peptide complexity and programmability that is missing in traditional ligands for catalytic nanomaterials. Unfortunately, there is limited information available to correlate peptide sequence to particle structure and catalytic activity to date. As such, the application of peptide-enabled nanocatalysts remains limited to trial and error approaches. In this paper, a hybrid experimental and computational approach is introduced to systematically elucidate biomolecule-dependent structure/function relationships for peptide-capped Pd nanocatalysts. Synchrotron X-ray techniques were used to uncover substantial particle surface structural disorder, which was dependent upon the amino acid sequence of the peptide capping ligand. Nanocatalyst configurations were then determined directly from experimental data using reverse Monte Carlo methods and further refined using molecular dynamics simulation, obtaining thermodynamically stable peptide-Pd nanoparticle configurations. Sequence-dependent catalytic property differences for C-C coupling and olefin hydrogenation were then eluddated by identification of the catalytic active sites at the atomic level and quantitative prediction of relative reaction rates. This hybrid methodology provides a clear route to determine peptide-dependent structure/function relationships, enabling the generation of guidelines for catalyst design through rational tailoring of peptide sequences

  20. Surface electronic structure-catalytic activity correlation of partially reduced molybdenum oxide(s) for the isomerization of light alkenes and alkanes

    International Nuclear Information System (INIS)

    Al-Kandari, S; Al-Kandari, H; Al-Kharafi, F; Katrib, A

    2008-01-01

    Catalytic activity-surface electronic structure correlation was carried out using surface XPS-UPS techniques. In situ reduction by hydrogen, were carried out at similar experimental conditions to those employed for the catalytic reactions. In the case of MoO 3 deposited on TiO 2 , the reduction to MoO 2 state with the bifunctional MoO 2 (H x ) ac phase on its surface starts at 573 K and reaches a stable state at temperatures between 653-673 K. In the case of alumina support, a strong metal-support interaction takes place during the catalyst preparation, leading to Al 2 (MoO 4 ) 3 complex formation as characterized by XRD. The reduction process(s) of this complex by hydrogen as a function of temperature is different from what is observed in the case of titania support. The changes in the chemical structure of the sample surface in both systems were tested for the catalytic reactions of 1-pentene and n-pentane

  1. Thermochemistry of minerals stable near the earth's surface

    International Nuclear Information System (INIS)

    1990-01-01

    The present proposal continues the evolution, of changing emphasis from silicate melts to glass and toward crystalline minerals stable in the shallow crustal environment, particularly amphiholes, micas, and related hydrous phases adding zeolites and carbonates to our areas of interest. This is made possible both by recent advances in our high-temperature calorimetric techniques and by an interest in extending our ideas about the systematics of ionic substitutions to more complex structures. The proposal presents the following: (a) a listing of papers, theses, and abstracts in the past 3 years supported by the present grant, (b) a summary of work on glasses containing highly charged cations and on some related crystalline phases, with proposed new directions, (c) a discussion of advances in calorimetric methods and what new possibilities they open, (d) completed and planned work on amphiboles, micas, and clays, (e) completed and proposed work on amorpous low temperature materials, (f) proposed work on zeolites, and (g) proposed work on carbonates and (h) a discussion of the energy relevance of the above projects. This is followed by the required forms, budget pages, and CV. 34 refs., 5 figs., 1 tab

  2. Hydroxyl migration disorders the surface structure of hydroxyapatite nanoparticles

    Science.gov (United States)

    Cheng, Xiajie; Wu, Hong; Zhang, Li; Ma, Xingtao; Zhang, Xingdong; Yang, Mingli

    2017-09-01

    The surface structure of nano-hydroxyapatite (HAP) was investigated using a combined simulated annealing and molecular dynamics method. The stationary structures of nano-HAP with 4-7 nm in diameter and annealed under different temperatures were analyzed in terms of pair distribution function, structural factor, mean square displacement and atomic coordination number. The particles possess different structures from bulk crystal. A clear radial change in their atomic arrangements was noted. From core to surface the structures change from ordered to disordered. A three-shell model was proposed to describe the structure evolution of nano-HAP. Atoms in the core zone keep their arrangements as in crystal, while atoms in the surface shell are in short-range order and long-range disorder, adopting a typically amorphous structure. Atoms in the middle shell have small displacements and/or deflections but basically retain their original locations as in crystal. The disordered shell is about 1 nm in thickness, in agreement with experimental observations. The disordering mainly stems from hydroxyl migration during which hydroxyls move to the surface and bond with the exposed Ca ions, and their left vacancies bring about a rearrangement of nearby atoms. The disordering is to some extent different for particles unannealed under different temperatures, resulting from fewer number of migrated hydroxyls at lower temperatures. Particles with different sizes have similar surface structures, and their surface energy decreases with increasing size. Moreover, the surface energy is reduced by hydroxyl migration because the exposed Ca ions on the surface are ionically bonded with the migrated hydroxyls. Our calculations proposed a new structure model for nano-HAP, which indicates a surface structure with activities different from those without surface reorganization. This is particularly interesting because most bioactivities of biomaterials are dominated by their surface activity.

  3. Surface modification method for reactor incore structural component

    International Nuclear Information System (INIS)

    Obata, Minoru; Sudo, Akira.

    1996-01-01

    A large number of metal or ceramic small spheres accelerated by pressurized air are collided against a surface of a reactor incore structures or a welded surface of the structural components, and then finishing is applied by polishing to form compression stresses on the surface. This can change residual stresses into compressive stress without increasing the strength of the surface. Accordingly, stress corrosion crackings of the incore structural components or welded portions thereof can be prevented thereby enabling to extend the working life of equipments. (T.M.)

  4. Crystal Structures, Surface Stability, and Water Adsorption Energies of La-Bastnäsite via Density Functional Theory and Experimental Studies

    Energy Technology Data Exchange (ETDEWEB)

    Srinivasan, Sriram Goverapet [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Shivaramaiah, Radha [Univ. of California, Davis, CA (United States); Kent, Paul R. C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Stack, Andrew G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Navrotsky, Alexandra [Univ. of California, Davis, CA (United States); Riman, Richard [State Univ. of New Jersey, Piscataway, NJ (United States); Anderko, Andre [OLI Systems, Inc., Cedar Knolls, NJ (United States); Bryantsev, Vyacheslav S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-07-11

    Bastnasite is a fluoro-carbonate mineral that is the largest source of rare earth elements such as Y, La and Ce. With increasing demand for REE in many emerging technologies, there is an urgent need for improving the efficiency of ore beneficiation by froth flotation. In order to design improved flotation agents that can selectively bind to the mineral surface, a fundamental understanding of the bulk and surface properties of bastnasite is essential. Density functional theory calculations using the PBEsol exchange correlation functional and the DFT-D3 dispersion correction reveal that the most stable form of La bastnsite is isomorphic to the structure of Ce bastnasite belonging to the P2c space group, while the Inorganic Crystal Structure Database structure in the P2m space group is ca. 11.3 kJ/mol higher in energy per LaFCO3 formula unit. We report powder X-ray diffraction measurements on synthetic of La bastnasite to support these theoretical findings. Six different surfaces are studied by DFT, namely [100], [0001], [101], [102], [104] and [112]. Among these, the [100] surface is the most stable with a surface energy of 0.73 J/m2 in vacuum and 0.45 J/m2 in aqueous solution. We predicted the shape of a La bastnasite nanoparticle via thermodynamic Wulff construction to be a hexagonal prism with [100] and [0001] facets, chiseled at its ends by the [101] and [102] facets. The average surface energy of the nanoparticle in the gas phase is estimated to be 0.86 J/m2, in good agreement with a value of 1.11 J/m2 measured by calorimetry. The calculated adsorption energy of a water molecule varies widely with the surface plane and specific adsorption sites on a given surface. Moreover, the first layer of water molecules is predicted to adsorb strongly on the La-bastnasite surface, in agreement with water adsorption calorimetry experiments. Our work provides an important step towards a detailed atomistic understanding of

  5. Stable isotope composition of surface and groundwater in Baja California, Mexico

    International Nuclear Information System (INIS)

    Kretzschmar, Thomas G.; Frommen, Theresa

    2013-01-01

    Based on a total of 135 stable isotope analysis (δ 18 O, δD) carried out on surface and groundwater samples, as well as on rainwater samples between 2004 and 2011 in 5 different regions in Baja California, an isotopic evaluation of the region was established. The results showed a depletion gradient of -0.25 0/00 δ 18 O per 100 m rise in elevation throughout the study area. Considering an unaltered δ 18 O signature for the thermal springs, the recharge areas of these waters are at elevations over 1400 m outside of the present watersheds, indicating the presence of regional flow systems next to the local flow regime feeding the cold springs and wells. The Mesa de Andrade area has a completely different signature with values of -105 for δ 18 O and -13 for δD. (authors)

  6. Impact damage reduction by structured surface geometry

    DEFF Research Database (Denmark)

    Kusano, Yukihiro; Fedorov, Vladimir; McGugan, Malcolm

    2018-01-01

    performance was observed for polyurethane-coated fibre composites with structured geometries at the back surfaces. Repeated impacts by rubber balls on the coated side caused damage and delamination of the coating. The laminates with structured back surfaces showed longer durability than those with a flat back...

  7. Electrodeposited Structurally Stable V2O5 Inverse Opal Networks as High Performance Thin Film Lithium Batteries.

    Science.gov (United States)

    Armstrong, Eileen; McNulty, David; Geaney, Hugh; O'Dwyer, Colm

    2015-12-09

    High performance thin film lithium batteries using structurally stable electrodeposited V2O5 inverse opal (IO) networks as cathodes provide high capacity and outstanding cycling capability and also were demonstrated on transparent conducting oxide current collectors. The superior electrochemical performance of the inverse opal structures was evaluated through galvanostatic and potentiodynamic cycling, and the IO thin film battery offers increased capacity retention compared to micron-scale bulk particles from improved mechanical stability and electrical contact to stainless steel or transparent conducting current collectors from bottom-up electrodeposition growth. Li(+) is inserted into planar and IO structures at different potentials, and correlated to a preferential exposure of insertion sites of the IO network to the electrolyte. Additionally, potentiodynamic testing quantified the portion of the capacity stored as surface bound capacitive charge. Raman scattering and XRD characterization showed how the IO allows swelling into the pore volume rather than away from the current collector. V2O5 IO coin cells offer high initial capacities, but capacity fading can occur with limited electrolyte. Finally, we demonstrate that a V2O5 IO thin film battery prepared on a transparent conducting current collector with excess electrolyte exhibits high capacities (∼200 mAh g(-1)) and outstanding capacity retention and rate capability.

  8. Surface structure investigations using noncontact atomic force microscopy

    International Nuclear Information System (INIS)

    Kolodziej, J.J.; Such, B.; Goryl, M.; Krok, F.; Piatkowski, P.; Szymonski, M.

    2006-01-01

    Surfaces of several A III B V compound semiconductors (InSb, GaAs, InP, InAs) of the (0 0 1) orientation have been studied with noncontact atomic force microscopy (NC-AFM). Obtained atomically resolved patterns have been compared with structural models available in the literature. It is shown that NC-AFM is an efficient tool for imaging complex surface structures in real space. It is also demonstrated that the recent structural models of III-V compound surfaces provide a sound base for interpretation of majority of features present in recorded patterns. However, there are also many new findings revealed by the NC-AFM method that is still new experimental technique in the context of surface structure determination

  9. Effect of Built-Up Edge Formation during Stable State of Wear in AISI 304 Stainless Steel on Machining Performance and Surface Integrity of the Machined Part.

    Science.gov (United States)

    Ahmed, Yassmin Seid; Fox-Rabinovich, German; Paiva, Jose Mario; Wagg, Terry; Veldhuis, Stephen Clarence

    2017-10-25

    During machining of stainless steels at low cutting -speeds, workpiece material tends to adhere to the cutting tool at the tool-chip interface, forming built-up edge (BUE). BUE has a great importance in machining processes; it can significantly modify the phenomenon in the cutting zone, directly affecting the workpiece surface integrity, cutting tool forces, and chip formation. The American Iron and Steel Institute (AISI) 304 stainless steel has a high tendency to form an unstable BUE, leading to deterioration of the surface quality. Therefore, it is necessary to understand the nature of the surface integrity induced during machining operations. Although many reports have been published on the effect of tool wear during machining of AISI 304 stainless steel on surface integrity, studies on the influence of the BUE phenomenon in the stable state of wear have not been investigated so far. The main goal of the present work is to investigate the close link between the BUE formation, surface integrity and cutting forces in the stable sate of wear for uncoated cutting tool during the cutting tests of AISI 304 stainless steel. The cutting parameters were chosen to induce BUE formation during machining. X-ray diffraction (XRD) method was used for measuring superficial residual stresses of the machined surface through the stable state of wear in the cutting and feed directions. In addition, surface roughness of the machined surface was investigated using the Alicona microscope and Scanning Electron Microscopy (SEM) was used to reveal the surface distortions created during the cutting process, combined with chip undersurface analyses. The investigated BUE formation during the stable state of wear showed that the BUE can cause a significant improvement in the surface integrity and cutting forces. Moreover, it can be used to compensate for tool wear through changing the tool geometry, leading to the protection of the cutting tool from wear.

  10. Sliding surface searching method for slopes containing a potential weak structural surface

    Directory of Open Access Journals (Sweden)

    Aijun Yao

    2014-06-01

    Full Text Available Weak structural surface is one of the key factors controlling the stability of slopes. The stability of rock slopes is in general concerned with set of discontinuities. However, in soft rocks, failure can occur along surfaces approaching to a circular failure surface. To better understand the position of potential sliding surface, a new method called simplex-finite stochastic tracking method is proposed. This method basically divides sliding surface into two parts: one is described by smooth curve obtained by random searching, the other one is polyline formed by the weak structural surface. Single or multiple sliding surfaces can be considered, and consequently several types of combined sliding surfaces can be simulated. The paper will adopt the arc-polyline to simulate potential sliding surface and analyze the searching process of sliding surface. Accordingly, software for slope stability analysis using this method was developed and applied in real cases. The results show that, using simplex-finite stochastic tracking method, it is possible to locate the position of a potential sliding surface in the slope.

  11. Fabricating a Homogeneously Alloyed AuAg Shell on Au Nanorods to Achieve Strong, Stable, and Tunable Surface Plasmon Resonances

    KAUST Repository

    Huang, Jianfeng

    2015-08-13

    Colloidal metal nanocrystals with strong, stable, and tunable localized surface plasmon resonances (SPRs) can be useful in a corrosive environment for many applications including field-enhanced spectroscopies, plasmon-mediated catalysis, etc. Here, a new synthetic strategy is reported that enables the epitaxial growth of a homogeneously alloyed AuAg shell on Au nanorod seeds, circumventing the phase segregation of Au and Ag encountered in conventional synthesis. The resulting core–shell structured bimetallic nanorods (AuNR@AuAg) have well-mixed Au and Ag atoms in their shell without discernible domains. This degree of mixing allows AuNR@AuAg to combine the high stability of Au with the superior plasmonic activity of Ag, thus outperforming seemingly similar nanostructures with monometallic shells (e.g., Ag-coated Au NRs (AuNR@Ag) and Au-coated Au NRs (AuNR@Au)). AuNR@AuAg is comparable to AuNR@Ag in plasmonic activity, but that it is markedly more stable toward oxidative treatment. Specifically, AuNR@AuAg and AuNR@Ag exhibit similarly strong signals in surface-enhanced Raman spectroscopy that are some 30-fold higher than that of AuNR@Au. When incubated with a H2O2 solution (0.5 m), the plasmonic activity of AuNR@Ag immediately and severely decayed, whereas AuNR@AuAg retained its activity intact. Moreover, the longitudinal SPR frequency of AuNR@AuAg can be tuned throughout the red wavelengths (≈620–690 nm) by controlling the thickness of the AuAg alloy shell. The synthetic strategy is versatile to fabricate AuAg alloyed shells on different shaped Au, with prospects for new possibilities in the synthesis and application of plasmonic nanocrystals.

  12. Characterization of technical surfaces by structure function analysis

    Science.gov (United States)

    Kalms, Michael; Kreis, Thomas; Bergmann, Ralf B.

    2018-03-01

    The structure function is a tool for characterizing technical surfaces that exhibits a number of advantages over Fourierbased analysis methods. So it is optimally suited for analyzing the height distributions of surfaces measured by full-field non-contacting methods. The structure function is thus a useful method to extract global or local criteria like e. g. periodicities, waviness, lay, or roughness to analyze and evaluate technical surfaces. After the definition of line- and area-structure function and offering effective procedures for their calculation this paper presents examples using simulated and measured data of technical surfaces including aircraft parts.

  13. 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.

  14. Fabrication of surface micro- and nanostructures for superhydrophobic surfaces in electric and electronic applications

    Science.gov (United States)

    Xiu, Yonghao

    In our study, the superhydrophobic surface based on biomimetic lotus leave is explored to maintain the desired properties for self-cleaning. Parameters in controlling bead-up and roll-off characteristics of water droplets were investigated on different model surfaces. The governing equations were proposed. Heuristic study is performed. First, the fundamental understanding of the effect of roughness on superhydrophobicity is performed. The effect of hierarchical roughness, i.e., two scale roughness effect on roughness is investigated using systems of (1) monodisperse colloidal silica sphere (submicron) arrays and Au nanoparticle on top and (2) Si micrometer pyramids and Si nanostructures on top from KOH etching and metal assisted etching of Si. The relation between the contact area fraction and water droplet contact angles are derived based on Wenzel and Cassie-Baxter equation for the systems and the two scale effect is explained regarding the synergistic combination of two scales. Previously the microscopic three-phase-contact line is thought to be the key factor in determining contact angles and hystereses. In our study, Laplace pressure was brought up and related to the three-phase-contact line and taken as a key figure of merit in determining superhydrophobicity. In addition, we are one of the first to study the effect of tapered structures (wall inclination). Combining with a second scale roughness on the tapered structures, stable Cassie state for both water and low surface energy oil may be achieved. This is of great significance for designing both superhydrophobicity and superoleophobicity. Regarding the origin of contact angle hysteresis, study of superhydrophobicity on micrometer Si pillars was performed. The relation between the interface work of function and contact angle hysteresis was proposed and derived mathematically based on the Young-Dupre equation. The three-phase-contact line was further related to a secondary scale roughness induced. Based on

  15. Stable isotope composition of surface and groundwater in Baja California, Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Kretzschmar, Thomas G. [CICESE, Carret. Ensenada-Tijuana No 3819, Ensenada 22860 (Mexico); Frommen, Theresa [FU Berlin Malteserstr. 74-100, 12249 Berlin (Germany)

    2013-07-01

    Based on a total of 135 stable isotope analysis (δ{sup 18}O, δD) carried out on surface and groundwater samples, as well as on rainwater samples between 2004 and 2011 in 5 different regions in Baja California, an isotopic evaluation of the region was established. The results showed a depletion gradient of -0.25 0/00 δ{sup 18}O per 100 m rise in elevation throughout the study area. Considering an unaltered δ{sup 18}O signature for the thermal springs, the recharge areas of these waters are at elevations over 1400 m outside of the present watersheds, indicating the presence of regional flow systems next to the local flow regime feeding the cold springs and wells. The Mesa de Andrade area has a completely different signature with values of -105 for δ{sup 18}O and -13 for δD. (authors)

  16. A stable high-order perturbation of surfaces method for numerical simulation of diffraction problems in triply layered media

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Youngjoon, E-mail: hongy@uic.edu; Nicholls, David P., E-mail: davidn@uic.edu

    2017-02-01

    The accurate numerical simulation of linear waves interacting with periodic layered media is a crucial capability in engineering applications. In this contribution we study the stable and high-order accurate numerical simulation of the interaction of linear, time-harmonic waves with a periodic, triply layered medium with irregular interfaces. In contrast with volumetric approaches, High-Order Perturbation of Surfaces (HOPS) algorithms are inexpensive interfacial methods which rapidly and recursively estimate scattering returns by perturbation of the interface shape. In comparison with Boundary Integral/Element Methods, the stable HOPS algorithm we describe here does not require specialized quadrature rules, periodization strategies, or the solution of dense non-symmetric positive definite linear systems. In addition, the algorithm is provably stable as opposed to other classical HOPS approaches. With numerical experiments we show the remarkable efficiency, fidelity, and accuracy one can achieve with an implementation of this algorithm.

  17. Crystallography and surface structure an introduction for surface scientists and nanoscientists

    CERN Document Server

    Hermann, Klaus

    2017-01-01

    A valuable learning tool as well as a reference, this book provides students and researchers in surface science and nanoscience with the theoretical crystallographic foundations, which are necessary to understand local structure and symmetry of bulk crystals, including ideal and real single crystal surfaces. The author deals with the subject at an introductory level, providing numerous graphic examples to illustrate the mathematical formalism. The book brings together and logically connects many seemingly disparate structural issues and notations used frequently by surface scientists and nanoscientists. Numerous exercises of varying difficulty, ranging from simple questions to small research projects, are included to stimulate discussions about the different subjects.

  18. Elementary structural building blocks encountered in silicon surface reconstructions

    International Nuclear Information System (INIS)

    Battaglia, Corsin; Monney, Claude; Didiot, Clement; Schwier, Eike Fabian; Garnier, Michael Gunnar; Aebi, Philipp; Gaal-Nagy, Katalin; Onida, Giovanni

    2009-01-01

    Driven by the reduction of dangling bonds and the minimization of surface stress, reconstruction of silicon surfaces leads to a striking diversity of outcomes. Despite this variety even very elaborate structures are generally comprised of a small number of structural building blocks. We here identify important elementary building blocks and discuss their integration into the structural models as well as their impact on the electronic structure of the surface. (topical review)

  19. The influence of the surface atomic structure on surface diffusion

    International Nuclear Information System (INIS)

    Ghaleb, Dominique

    1984-03-01

    This work represents the first quantitative study of the influence of the surface atomic structure on surface diffusion (in the range: 0.2 Tf up 0.5 Tf; Tf: melting temperature of the substrate). The analysis of our results on a microscopic scale shows low formation and migration energies for adatoms; we can describe the diffusion on surfaces with a very simple model. On (110) surfaces at low temperature the diffusion is controlled by the exchange mechanism; at higher temperature direct jumps of adatoms along the channels contribute also to the diffusion process. (author) [fr

  20. Compact complex surfaces with geometric structures related to split quaternions

    International Nuclear Information System (INIS)

    Davidov, Johann; Grantcharov, Gueo; Mushkarov, Oleg; Yotov, Miroslav

    2012-01-01

    We study the problem of existence of geometric structures on compact complex surfaces that are related to split quaternions. These structures, called para-hypercomplex, para-hyperhermitian and para-hyperkähler, are analogs of the hypercomplex, hyperhermitian and hyperkähler structures in the definite case. We show that a compact 4-manifold carries a para-hyperkähler structure iff it has a metric of split signature together with two parallel, null, orthogonal, pointwise linearly independent vector fields. Every compact complex surface admitting a para-hyperhermitian structure has vanishing first Chern class and we show that, unlike the definite case, many of these surfaces carry infinite-dimensional families of such structures. We provide also compact examples of complex surfaces with para-hyperhermitian structures which are not locally conformally para-hyperkähler. Finally, we discuss the problem of non-existence of para-hyperhermitian structures on Inoue surfaces of type S 0 and provide a list of compact complex surfaces which could carry para-hypercomplex structures.

  1. Two-step excitation structure changes of luminescence centers and strong tunable blue emission on surface of silica nanospheres

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Lei, E-mail: nanoyang@qq.com; Jiang, Zhongcheng; Dong, Jiazhang; Zhang, Liuqian [Hunan University, College of Materials Science and Engineering (China); Pan, Anlian, E-mail: anlian.pan@gmail.com; Zhuang, Xiujuan [Hunan University, Key Laboratory for Micro-Nano Physics and Technology of Hunan Province (China)

    2015-10-15

    We report a scheme for investigating two-step stimulated structure change of luminescence centers. Amorphous silica nanospheres with uniform diameter of 9–15 nm have been synthesized by Stöber method. Strong hydroxyl-related infrared-absorption band is observed in infrared spectrum. The surface hydroxyl groups exert great influence on the luminescent behavior of silica. They provide stable and intermediate energy states to accommodate excitation electrons. The existence of these surface states reduces the energy barrier of photochemical reactions, creating conditions for two-step excitation process. By carefully examining excitation and emission process, the nearest excitation band is absent in both optical absorption spectrum and excitation spectrum. This later generated state confirms the generation of new luminescence centers as well as the existence of photochemical reactions. Stimulated by different energies, two-step excitation process impels different photochemical reactions, prompting generation of different lattice defects on surface area of silica. Thereby, tunable luminescence is achieved. After thermal treatment, strong gap excitation band appears with the disappearance of strong surface excitation band. Strong blue luminescence also disappears. The research is significance to precise introducing structural defects and controlling position of luminescence peaks.

  2. Multi-Stable Morphing Cellular Structures

    Science.gov (United States)

    2015-05-14

    stiffness on critical buckling load and arch stres - ses. It should be noted that although the arches in these studies snapped-through, they did not...switch roles in moving the VMT back from the second to the first stable equilibrium state. A prototype is designed and fabricated and the transition...pulling forward on the insert on the right blade and assisting its deployment. During this process the cable 3-4-1 goes slack and plays no role , but if

  3. Particle swarm optimization of the stable structure of tetrahexahedral Pt-based bimetallic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Tun-Dong; Fan, Tian-E [Center for Cloud Computing and Big Data, Department of Automation, Xiamen University, Xiamen 361005 (China); Shao, Gui-Fang, E-mail: gfshao@xmu.edu.cn [Center for Cloud Computing and Big Data, Department of Automation, Xiamen University, Xiamen 361005 (China); Zheng, Ji-Wen [Center for Cloud Computing and Big Data, Department of Automation, Xiamen University, Xiamen 361005 (China); Wen, Yu-Hua [Institute of Theoretical Physics and Astrophysics, Department of Physics, Xiamen University, Xiamen 361005 (China)

    2014-08-14

    Bimetallic nanoparticles, enclosed by high-index facets, have great catalytic activity and selectivity owing to the synergy effects of high-index facets and the electronic structures of alloy. In this paper, a discrete particle swarm optimization algorithm was employed to systematically investigate the structural stability and features of tetrahexahedral Pt-based bimetallic nanoparticles with high-index facets. Different Pt/Ag, Pt/Cu, Pt/Pd atom ratios and particle sizes were considered in this work. The simulation results reveal that these alloy nanoparticles exhibit considerably different structural characteristics. Pt–Ag nanoparticles tend to form Pt–Ag core–shell structure. Pt–Cu nanoparticles are preferred to take multi-shell structure with Cu on the outer surface while Pt–Pd nanoparticles present a mixing structure in the interior and Pd-dominated surface. Atomic distribution and bonding characteristics were applied to further characterize the structural features of Pt-based nanoparticles. This study provides an important insight into the structural stability and features of Pt-based nanoparticles with different alloys. - Highlights: • We explore the structural stability of Pt-based alloy NPs by a discrete PSO. • Our study discovers the different structural characteristics for Pt-based NPs. • Alloy composition and size have important effects on the surface segregation. • Our work shows strong phase separation for Pt–Ag NPs while weak for Pt–Pd NPs.

  4. Particle swarm optimization of the stable structure of tetrahexahedral Pt-based bimetallic nanoparticles

    International Nuclear Information System (INIS)

    Liu, Tun-Dong; Fan, Tian-E; Shao, Gui-Fang; Zheng, Ji-Wen; Wen, Yu-Hua

    2014-01-01

    Bimetallic nanoparticles, enclosed by high-index facets, have great catalytic activity and selectivity owing to the synergy effects of high-index facets and the electronic structures of alloy. In this paper, a discrete particle swarm optimization algorithm was employed to systematically investigate the structural stability and features of tetrahexahedral Pt-based bimetallic nanoparticles with high-index facets. Different Pt/Ag, Pt/Cu, Pt/Pd atom ratios and particle sizes were considered in this work. The simulation results reveal that these alloy nanoparticles exhibit considerably different structural characteristics. Pt–Ag nanoparticles tend to form Pt–Ag core–shell structure. Pt–Cu nanoparticles are preferred to take multi-shell structure with Cu on the outer surface while Pt–Pd nanoparticles present a mixing structure in the interior and Pd-dominated surface. Atomic distribution and bonding characteristics were applied to further characterize the structural features of Pt-based nanoparticles. This study provides an important insight into the structural stability and features of Pt-based nanoparticles with different alloys. - Highlights: • We explore the structural stability of Pt-based alloy NPs by a discrete PSO. • Our study discovers the different structural characteristics for Pt-based NPs. • Alloy composition and size have important effects on the surface segregation. • Our work shows strong phase separation for Pt–Ag NPs while weak for Pt–Pd NPs

  5. Supplementary Material for Finding the Stable Structures of N1-xWX with an Ab-initio High-Throughput Approach

    Science.gov (United States)

    2015-05-08

    Supplementary material for “Finding the stable structures of N1−xWX with an ab - initio high-throughput approach” Michael J. Mehl∗ Center for...AND SUBTITLE Supplementary Material for ’Finding the Stable Structures of N1-xWX with an ab - initio High-throughput Approach’ 5a. CONTRACT NUMBER 5b...and J. Hafner, Ab initio molecular dynamics for open-shell transition metals, Phys. Rev. B 48, 13115–13118 (1993). 2 G. Kresse and J. Hafner, Ab initio

  6. Highly stable thin film transistors using multilayer channel structure

    KAUST Repository

    Nayak, Pradipta K.

    2015-03-09

    We report highly stable gate-bias stress performance of thin film transistors (TFTs) using zinc oxide (ZnO)/hafnium oxide (HfO2) multilayer structure as the channel layer. Positive and negative gate-bias stress stability of the TFTs was measured at room temperature and at 60°C. A tremendous improvement in gate-bias stress stability was obtained in case of the TFT with multiple layers of ZnO embedded between HfO2 layers compared to the TFT with a single layer of ZnO as the semiconductor. The ultra-thin HfO2 layers act as passivation layers, which prevent the adsorption of oxygen and water molecules in the ZnO layer and hence significantly improve the gate-bias stress stability of ZnO TFTs.

  7. Surface electron structure of short-period semiconductor superlattice

    International Nuclear Information System (INIS)

    Bartos, I.; Czech Academy Science, Prague,; Strasser, T.; Schattke, W.

    2004-01-01

    Full text: Semiconductor superlattices represent man-made crystals with unique physical properties. By means of the directed layer-by-layer molecular epitaxy growth their electric properties can be tailored (band structure engineering). Longer translational periodicity in the growth direction is responsible for opening of new electron energy gaps (minigaps) with surface states and resonances localized at superlattice surfaces. Similarly as for the electron structure of the bulk, a procedure enabling to modify the surface electron structure of superlattices is desirable. Short-period superlattice (GaAs) 2 (AlAs) 2 with unreconstructed (100) surface is investigated in detail. Theoretical description in terms of full eigenfunctions of individual components has to be used. The changes of electron surface state energies governed by the termination of a periodic crystalline potential, predicted on simple models, are confirmed for this system. Large surface state shifts are found in the lowest minigap of the superlattice when this is terminated in four different topmost layer configurations. The changes should be observable in angle resolved photoelectron spectroscopy as demonstrated in calculations based on the one step model of photoemission. Surface state in the center of the two dimensional Brillouin zone moves from the bottom of the minigap (for the superlattice terminated by two bilayers of GaAs) to its top (for the superlattice terminated by two bilayers of AlAs) where it becomes a resonance. No surface state/resonance is found for a termination with one bilayer of AlAs. The surface state bands behave similarly in the corresponding gaps of the k-resolved section of the electron band structure. The molecular beam epitaxy, which enables to terminate the superlattice growth with atomic layer precision, provides a way of tuning the superlattice surface electron structure by purely geometrical means. The work was supported by the Grant Agency of the Academy of Sciences

  8. Facile Fabrication and Characterization of a PDMS-Derived Candle Soot Coated Stable Biocompatible Superhydrophobic and Superhemophobic Surface.

    Science.gov (United States)

    Iqbal, R; Majhy, B; Sen, A K

    2017-09-13

    We report a simple, inexpensive, rapid, and one-step method for the fabrication of a stable and biocompatible superhydrophobic and superhemophobic surface. The proposed surface comprises candle soot particles embedded in a mixture of PDMS+n-hexane serving as the base material. The mechanism responsible for the superhydrophobic behavior of the surface is explained, and the surface is characterized based on its morphology and elemental composition, wetting properties, mechanical and chemical stability, and biocompatibility. The effect of %n-hexane in PDMS, the thickness of the PDMS+n-hexane layer (in terms of spin coating speed) and sooting time on the wetting property of the surface is studied. The proposed surface exhibits nanoscale surface asperities (average roughness of 187 nm), chemical compositions of soot particles, very high water and blood repellency along with excellent mechanical and chemical stability and excellent biocompatibility against blood sample and biological cells. The water contact angle and roll-off angle is measured as 160° ± 1° and 2°, respectively, and the blood contact angle is found to be 154° ± 1°, which indicates that the surface is superhydrophobic and superhemophobic. The proposed superhydrophobic and superhemophobic surface offers significantly improved (>40%) cell viability as compared to glass and PDMS surfaces.

  9. Experimental and numerical investigations of stable crack growth of axial surface flaws in a pressure vessel

    International Nuclear Information System (INIS)

    Brocks, W.; Krafka, H.; Mueller, W.; Wobst, K.

    1988-01-01

    In connection with the problem of the transferability of parameters obtained experimentally with the help of fracture-mechanical test specimens and used for the initiation and the stable propagation of cracks in cases of pulsating stress and of the elasto-plastic behaviour of construction components, a pressure vessel with an inside diameter of 1500 mm, a cylindrical length of 3000 mm and a wall thickness of 40 mm was hydraulically loaded with the help of internal pressure in the first stage, to attain an average crack growth of 1 mm at Δ a ≅, the loading taking place at about 21deg C. This stress-free annealed vessel exhibited an axial semielliptical vibration-induced surface crack about 181 mm long and 20 mm deep, as a test defect, in a welded circular blank made of the steel 20MnMoNi 55. The fractographic analysis of the first stable crack revealed that its growth rate of Δa was highest in the area of transition from the weak to the strong bend of the crack front (55deg m /σ v (average principal stress: σ m , Mises' reference stress: σ v v). A comparison of the experimental with the numerical results from the first stable crack shows that the local stable crack growth Δa cannot be calculated solely with reference to J, because Δa appears to depend essentially on the quotient σ m /σ v . (orig./MM) [de

  10. Processes of H{sub 2} adsorption on Fe(1 1 0) surface: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Weiwei; Peng, Liang; Peng, Daoling [Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Gu, Feng Long, E-mail: gu@scnu.edu.cn [Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Liu, Jun [Material Design and Simulation Technology Co. Ltd., Room 1716, V-Faction, 10 Vanke, 2 Ring Road of North Section, Chengdu (China)

    2014-03-01

    Highlights: • The hydrogen coverages for H{sub 2} adsorption on Fe(1 1 0) surface ranging from 0.125 to 1.000 are prepared by using different surface supercells. • With the reduction of coverage, the average iron atomic energy is increased and the adsorption energy is decreased, leading to the system more stable; while coverage has little effect on the Fe(1 1 0) surface structure and the hydrogen adsorption process. • The most stable absorption site is found to be the on-top site. • DFT calculations show that it is a weak adsorption and the adsorption energy barriers under 4.4 kcal/mol. • The final state is H{sub 2} molecule dissociated into two hydrogen atoms interacting with surface iron atoms to form stable Fe-H bonds. - Abstract: Processes of H{sub 2} adsorption on Fe(1 1 0) surface have been studied by the density functional theory, properties such as surface structure, adsorption position, and adsorption energies are discussed as well. To investigate the atomic geometries and stability under different hydrogen coverages for this adsorption, the hydrogen coverages ranging from 0.125 to 1.000 are prepared by using different surface supercells. It is found that with the reduction of coverage, the average iron atomic energy and the adsorption energy are increased, leading to the system more stable; while coverage has little effect on the Fe(1 1 0) surface structure and the hydrogen adsorption process. The most stable absorption site is found to be the on-top site. Our calculations show that it is a weak adsorption and the adsorption energy barriers under 4.4 kcal/mol. The final state is H{sub 2} molecule dissociated into two hydrogen atoms and interacting with surface iron atoms to form stable Fe-H bonds.

  11. Ultra-Stable Zero-CTE HoneySiC and H2CMN Mirror Support Structures, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA MSFC, GSFC and JPL are interested in Ultra-Stable Mirror Support Structures for Exoplanet Missions. Telescopes with Apertures of 4-meters or larger and using an...

  12. Electron backscatter diffraction characterization of laser-induced periodic surface structures on nickel surface

    Energy Technology Data Exchange (ETDEWEB)

    Sedao, Xxx, E-mail: sedao.xxx@gmail.com [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France); Maurice, Claire [Laboratoire Georges Friedel, Ecole Nationale Supérieure des Mines, 42023 St-Etienne (France); Garrelie, Florence; Colombier, Jean-Philippe; Reynaud, Stéphanie [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France); Quey, Romain; Blanc, Gilles [Laboratoire Georges Friedel, Ecole Nationale Supérieure des Mines, 42023 St-Etienne (France); Pigeon, Florent [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France)

    2014-05-01

    Graphical abstract: -- Highlight: •Lattice rotation and its distribution in laser-induced periodic surface structures (LIPSS) and the subsurface region on a nickel substrate are revealed using electron backscatter diffraction (EBSD). -- Abstract: We report on the structural investigation of laser-induced periodic surface structures (LIPSS) generated in polycrystalline nickel target after multi-shot irradiation by femtosecond laser pulses. Electron backscatter diffraction (EBSD) is used to reveal lattice rotation caused by dislocation storage during LIPSS formation. Localized crystallographic damages in the LIPSS are detected from both surface and cross-sectional EBSD studies. A surface region (up to 200 nm) with 1–3° grain disorientation is observed in localized areas from the cross-section of the LIPSS. The distribution of the local disorientation is inhomogeneous across the LIPSS and the subsurface region.

  13. Sub-surface structures and collapse mechanisms of summit pit craters

    Science.gov (United States)

    Roche, O.; van Wyk de Vries, B.; Druitt, T. H.

    2001-01-01

    Summit pit craters are found in many types of volcanoes and are generally thought to be the product of collapse into an underpressured reservoir caused by magma withdrawal. We investigate the mechanisms and structures associated with summit pit crater formation by scaled analogue experiments and make comparisons with natural examples. Models use a sand plaster mixture as analogue rock over a cylinder of silicone simulating an underpressured magma reservoir. Experiments are carried out using different roof aspect ratios (roof thickness/roof width) of 0.2-2. They reveal two basic collapse mechanisms, dependant on the roof aspect ratio. One occurs at low aspect ratios (≤1), as illustrated by aspect ratios of 0.2 and 1. Outward dipping reverse faults initiated at the silicone margins propagates through the entire roof thickness and cause subsidence of a coherent block. Collapse along the reverse faults is accommodated by marginal flexure of the block and tension fractures at the surface (aspect ratio of 0.2) or by the creation of inward dipping normal faults delimiting a terrace (aspect ratio of 1). At an aspect ratio of 1, overhanging pit walls are the surface expressions of the reverse faults. Experiments at high aspect ratio (>1.2) reveal a second mechanism. In this case, collapse occurs by stopping, which propagates upwards by a complex pattern of both reverse faults and tension fractures. The initial underground collapse is restricted to a zone above the reservoir and creates a cavity with a stable roof above it. An intermediate mechanism occurs at aspect ratios of 1.1-1.2. In this case, stopping leads to the formation of a cavity with a thin and unstable roof, which collapses suddenly. The newly formed depression then exhibits overhanging walls. Surface morphology and structure of natural examples, such as the summit pit craters at Masaya Volcano, Nicaragua, have many of the features created in the models, indicating that the internal structural geometry of

  14. Modulation of photonic structures by surface acoustic waves

    International Nuclear Information System (INIS)

    Mauricio M de Lima Jr; Santos, Paulo V

    2005-01-01

    This paper reviews the interaction between coherently stimulated acoustic phonons in the form of surface acoustic waves with light beams in semiconductor based photonic structures. We address the generation of surface acoustic wave modes in these structures as well as the technological aspects related to control of the propagation and spatial distribution of the acoustic fields. The microscopic mechanisms responsible for the interaction between light and surface acoustic modes in different structures are then reviewed. Particular emphasis is given to the acousto-optical interaction in semiconductor microcavities and its application in photon control. These structures exhibit high optical modulation levels under acoustic excitation and are compatible with integrated light sources and detectors

  15. The structure of stepped surfaces

    International Nuclear Information System (INIS)

    Algra, A.J.

    1981-01-01

    The state-of-the-art of Low Energy Ion Scattering (LEIS) as far as multiple scattering effects are concerned, is discussed. The ion fractions of lithium, sodium and potassium scattered from a copper (100) surface have been measured as a function of several experimental parameters. The ratio of the intensities of the single and double scattering peaks observed in ion scattering spectroscopy has been determined and ion scattering spectroscopy applied in the multiple scattering mode is used to determine the structure of a stepped Cu(410) surface. The average relaxation of the (100) terraces of this surface appears to be very small. The adsorption of oxygen on this surface has been studied with LEIS and it is indicated that oxygen absorbs dissociatively. (C.F.)

  16. Facile fabrication of superhydrophobic surfaces with hierarchical structures.

    Science.gov (United States)

    Lee, Eunyoung; Lee, Kun-Hong

    2018-03-06

    Hierarchical structures were fabricated on the surfaces of SUS304 plates using a one-step process of direct microwave irradiation under a carbon dioxide atmosphere. The surface nanostructures were composed of chrome-doped hematite single crystals. Superhydrophobic surfaces with a water contact angle up to 169° were obtained by chemical modification of the hierarchical structures. The samples maintained superhydrophobicity under NaCl solution up to 2 weeks.

  17. Hierarchical micro-nano structured Ti6Al4V surface topography via two-step etching process for enhanced hydrophilicity and osteoblastic responses.

    Science.gov (United States)

    Moon, Byeong-Seok; Kim, Sungwon; Kim, Hyoun-Ee; Jang, Tae-Sik

    2017-04-01

    Hierarchical micro-nano (HMN) surface structuring of dental implants is a fascinating strategy for achieving fast and mechanically stable fixation due to the synergetic effect of micro- and nano-scale surface roughness with surrounding tissues. However, the introduction of a well-defined nanostructure on a microstructure having complex surface geometry is still challenging. As a means of fabricating HMN surface on Ti6Al4V-ELI, target-ion induced plasma sputtering (TIPS) was used onto a sand-blasted, large-grit and acid-etched substrate. The HMN surface topography was simply controlled by adjusting the tantalum (Ta) target power of the TIPS technique, which is directly related to the Ta ion flux and the surface chemical composition of the substrate. Characterization using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning microscopy (LSM) verified that well-defined nano-patterned surface structures with a depth of ~300 to 400nm and a width of ~60 to 70nm were uniformly distributed and followed the complex micron-sized surface geometry. In vitro cellular responses of pre-osteoblast cells (MC3T3-E1) were assessed by attachment and proliferation of cells on flat, nano-roughened, micro-roughened, and an HMN surface structure of Ti6Al4V-ELI. Moreover, an in vivo dog mandible defect model study was used to investigate the biological effect of the HMN surface structure compared with the micro-roughened surface. The results showed that the surface nanostructure significantly increased the cellular activities of flat and micro-roughened Ti, and the bone-to-implant contact area and new bone volume were significantly improved on the HMN surface structured Ti. These results support the idea that an HMN surface structure on Ti6Al4V-ELI alloy has great potential for enhancing the biological performance of dental implants. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. Hierarchical micro-nano structured Ti6Al4V surface topography via two-step etching process for enhanced hydrophilicity and osteoblastic responses

    Energy Technology Data Exchange (ETDEWEB)

    Moon, Byeong-Seok; Kim, Sungwon; Kim, Hyoun-Ee; Jang, Tae-Sik, E-mail: cgamja@snu.ac.kr

    2017-04-01

    Hierarchical micro-nano (HMN) surface structuring of dental implants is a fascinating strategy for achieving fast and mechanically stable fixation due to the synergetic effect of micro- and nano-scale surface roughness with surrounding tissues. However, the introduction of a well-defined nanostructure on a microstructure having complex surface geometry is still challenging. As a means of fabricating HMN surface on Ti6Al4V-ELI, target-ion induced plasma sputtering (TIPS) was used onto a sand-blasted, large-grit and acid-etched substrate. The HMN surface topography was simply controlled by adjusting the tantalum (Ta) target power of the TIPS technique, which is directly related to the Ta ion flux and the surface chemical composition of the substrate. Characterization using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning microscopy (LSM) verified that well-defined nano-patterned surface structures with a depth of ~ 300 to 400 nm and a width of ~ 60 to 70 nm were uniformly distributed and followed the complex micron-sized surface geometry. In vitro cellular responses of pre-osteoblast cells (MC3T3-E1) were assessed by attachment and proliferation of cells on flat, nano-roughened, micro-roughened, and an HMN surface structure of Ti6Al4V-ELI. Moreover, an in vivo dog mandible defect model study was used to investigate the biological effect of the HMN surface structure compared with the micro-roughened surface. The results showed that the surface nanostructure significantly increased the cellular activities of flat and micro-roughened Ti, and the bone-to-implant contact area and new bone volume were significantly improved on the HMN surface structured Ti. These results support the idea that an HMN surface structure on Ti6Al4V-ELI alloy has great potential for enhancing the biological performance of dental implants. - Highlights: • A micro-nano-hierarchical (MNH) surface structure on Ti6Al4V-ELI was fabricated via TIPS

  19. Hierarchical micro-nano structured Ti6Al4V surface topography via two-step etching process for enhanced hydrophilicity and osteoblastic responses

    International Nuclear Information System (INIS)

    Moon, Byeong-Seok; Kim, Sungwon; Kim, Hyoun-Ee; Jang, Tae-Sik

    2017-01-01

    Hierarchical micro-nano (HMN) surface structuring of dental implants is a fascinating strategy for achieving fast and mechanically stable fixation due to the synergetic effect of micro- and nano-scale surface roughness with surrounding tissues. However, the introduction of a well-defined nanostructure on a microstructure having complex surface geometry is still challenging. As a means of fabricating HMN surface on Ti6Al4V-ELI, target-ion induced plasma sputtering (TIPS) was used onto a sand-blasted, large-grit and acid-etched substrate. The HMN surface topography was simply controlled by adjusting the tantalum (Ta) target power of the TIPS technique, which is directly related to the Ta ion flux and the surface chemical composition of the substrate. Characterization using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning microscopy (LSM) verified that well-defined nano-patterned surface structures with a depth of ~ 300 to 400 nm and a width of ~ 60 to 70 nm were uniformly distributed and followed the complex micron-sized surface geometry. In vitro cellular responses of pre-osteoblast cells (MC3T3-E1) were assessed by attachment and proliferation of cells on flat, nano-roughened, micro-roughened, and an HMN surface structure of Ti6Al4V-ELI. Moreover, an in vivo dog mandible defect model study was used to investigate the biological effect of the HMN surface structure compared with the micro-roughened surface. The results showed that the surface nanostructure significantly increased the cellular activities of flat and micro-roughened Ti, and the bone-to-implant contact area and new bone volume were significantly improved on the HMN surface structured Ti. These results support the idea that an HMN surface structure on Ti6Al4V-ELI alloy has great potential for enhancing the biological performance of dental implants. - Highlights: • A micro-nano-hierarchical (MNH) surface structure on Ti6Al4V-ELI was fabricated via TIPS

  20. Electronic structure of disordered alloys, surfaces and interfaces

    CERN Document Server

    Turek, Ilja; Kudrnovský, Josef; Šob, Mojmír; Weinberger, Peter

    1997-01-01

    At present, there is an increasing interest in the prediction of properties of classical and new materials such as substitutional alloys, their surfaces, and metallic or semiconductor multilayers. A detailed understanding based on a thus of the utmost importance for fu­ microscopic, parameter-free approach is ture developments in solid state physics and materials science. The interrela­ tion between electronic and structural properties at surfaces plays a key role for a microscopic understanding of phenomena as diverse as catalysis, corrosion, chemisorption and crystal growth. Remarkable progress has been made in the past 10-15 years in the understand­ ing of behavior of ideal crystals and their surfaces by relating their properties to the underlying electronic structure as determined from the first principles. Similar studies of complex systems like imperfect surfaces, interfaces, and mul­ tilayered structures seem to be accessible by now. Conventional band-structure methods, however, are of limited use ...

  1. Surface structure of polymer Gels and emerging functions

    CERN Document Server

    Kobiki, Y

    1999-01-01

    We report the surface structure of polymer gels on a submicrometer scale during the volume phase transition. Sponge-like domains with a mesoscopic scale were directly observed in water by using at atomic force microscope (AFM). The surface structure characterized by the domains is discussed in terms of the root-mean-square roughness and the auto-correlation function, which were calculated from the AFM images. In order to demonstrate the role of surface structure in determining the macroscopic properties of film-like poly (N-isopropylacrylamide: NIPA) gels. It was found that the temperature dependence, as well as the absolute values of the static contact angle, were strongly dependent on the bulk network inhomogeneities. The relation between the mesoscopic structure and the macroscopic properties is qualitatively discussed in terms of not only the changes in the chemical, but also in the physical, surface properties of the NIPA gels in response to a temperature change.

  2. Stable single longitudinal mode erbium-doped silica fiber laser based on an asymmetric linear three-cavity structure

    International Nuclear Information System (INIS)

    Feng Ting; Yan Feng-Ping; Li Qi; Peng Wan-Jing; Feng Su-Chun; Tan Si-Yu; Wen Xiao-Dong

    2013-01-01

    We present a stable linear-cavity single longitudinal mode (SLM) erbium-doped silica fiber laser. It consists of four fiber Bragg gratings (FBGs) directly written in a section of photosensitive erbium-doped fiber (EDF) to form an asymmetric three-cavity structure. The stable SLM operation at a wavelength of 1545.112 nm with a 3-dB bandwidth of 0.012 nm and an optical signal-to-noise ratio (OSNR) of about 60 dB is verified experimentally. Under laboratory conditions, the performance of a power fluctuation of less than 0.05 dB observed from the power meter for 6 h and a wavelength variation of less than 0.01 nm obtained from the optical spectrum analyzer (OSA) for about 1.5 h are demonstrated. The gain fiber length is no longer limited to only several centimeters for SLM operation because of the excellent mode-selecting ability of the asymmetric three-cavity structure. The proposed scheme provides a simple and cost-effective approach to realizing a stable SLM fiber laser. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  3. Au55, a stable glassy cluster: results of ab initio calculations

    Directory of Open Access Journals (Sweden)

    Dieter Vollath

    2017-10-01

    Full Text Available Structure and properties of small nanoparticles are still under discussion. Moreover, some thermodynamic properties and the structural behavior still remain partially unknown. One of the best investigated nanoparticles is the Au55 cluster, which has been analyzed experimentally and theoretically. However, up to now, the results of these studies are still inconsistent. Consequently, we have carried out the present ab initio study of the Au55 cluster, using up-to-date computational concepts, in order to clarify these issues. Our calculations have confirmed the experimental result that the thermodynamically most stable structure is not crystalline, but it is glassy. The non-crystalline structure of this cluster was validated by comparison of the coordination numbers with those of a crystalline cluster. It was found that, in contrast to bulk materials, glass formation is connected to an energy release that is close to the melting enthalpy of bulk gold. Additionally, the surface energy of this cluster was calculated using two different theoretical approaches resulting in values close to the surface energy for bulk gold. It shall be emphasized that it is now possible to give a confidence interval for the value of the surface energy.

  4. 30 CFR 57.4530 - Exits for surface buildings and structures.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Exits for surface buildings and structures. 57... Fire Prevention and Control Installation/construction/maintenance § 57.4530 Exits for surface buildings and structures. Surface buildings or structures in which persons work shall have a sufficient number...

  5. Bio-inspired water repellent surfaces produced by ultrafast laser structuring of silicon

    International Nuclear Information System (INIS)

    Barberoglou, M.; Zorba, V.; Stratakis, E.; Spanakis, E.; Tzanetakis, P.; Anastasiadis, S.H.; Fotakis, C.

    2009-01-01

    We report here an efficient method for preparing stable superhydrophobic and highly water repellent surfaces by irradiating silicon wafers with femtosecond laser pulses and subsequently coating them with chloroalkylsilane monolayers. By varying the laser pulse fluence on the surface one can successfully control its wetting properties via a systematic and reproducible variation of roughness at micro- and nano-scale, which mimics the topology of natural superhydrophobic surfaces. The self-cleaning and water repellent properties of these artificial surfaces are investigated. It is found that the processed surfaces are among the most water repellent surfaces ever reported. These results may pave the way for the implementation of laser surface microstructuring techniques for the fabrication of superhydrophobic and self-cleaning surfaces in different kinds of materials as well

  6. Entropy stable high order discontinuous Galerkin methods for ideal compressible MHD on structured meshes

    Science.gov (United States)

    Liu, Yong; Shu, Chi-Wang; Zhang, Mengping

    2018-02-01

    We present a discontinuous Galerkin (DG) scheme with suitable quadrature rules [15] for ideal compressible magnetohydrodynamic (MHD) equations on structural meshes. The semi-discrete scheme is analyzed to be entropy stable by using the symmetrizable version of the equations as introduced by Godunov [32], the entropy stable DG framework with suitable quadrature rules [15], the entropy conservative flux in [14] inside each cell and the entropy dissipative approximate Godunov type numerical flux at cell interfaces to make the scheme entropy stable. The main difficulty in the generalization of the results in [15] is the appearance of the non-conservative "source terms" added in the modified MHD model introduced by Godunov [32], which do not exist in the general hyperbolic system studied in [15]. Special care must be taken to discretize these "source terms" adequately so that the resulting DG scheme satisfies entropy stability. Total variation diminishing / bounded (TVD/TVB) limiters and bound-preserving limiters are applied to control spurious oscillations. We demonstrate the accuracy and robustness of this new scheme on standard MHD examples.

  7. Examination of the effect of blowing on the near-surface flow structure over a dimpled surface

    Science.gov (United States)

    Borchetta, C. G.; Martin, A.; Bailey, S. C. C.

    2018-03-01

    The near surface flow over a dimpled surface with flow injection through it was documented using time-resolved particle image velocimetry. The instantaneous flow structure, time-averaged statistics, and results from snapshot proper orthogonal decomposition were used to examine the coherent structures forming near the dimpled surface. In particular, the modifications made to the flow structures by the addition of flow injection through the surface were studied. It was observed that without flow injection, inclined flow structures with alternating vorticity from neighboring dimples are generated by the dimples and advect downstream. This behavior is coupled with fluid becoming entrained inside the dimples, recirculating and ejecting away from the surface. When flow injection was introduced through the surface, the flow structures became more disorganized, but some of the features of the semi-periodic structures observed without flow injection were preserved. The structures with flow injection appear in multiple wall-normal layers, formed from vortical structures shed from upstream dimples, with a corresponding increase in the size of the advecting structures. As a result of the more complex flow field observed with flow injection, there was an increase in turbulent kinetic energy and Reynolds shear stress, with the Reynolds shear stress representing an increase in vertical transport of momentum by sweeping and ejecting motions that were not present without flow injection.

  8. Stable pelagic vertebrate community structure through extreme Paleogene greenhouse conditions

    Science.gov (United States)

    Sibert, E. C.; Friedman, M.; Hull, P. M.; Hunt, G.; Norris, R. D.

    2016-02-01

    The species composition (structure) and energy transfer (function) of an ecosystem is reflected by the presence and type of consumers that it supports. Here we use ichthyoliths, microfossil fish teeth and shark denticles, to assess the ecological variability of the pelagic fish community structure and composition from the Late Cretaceous to the middle Eocene from a drill core in the South Pacific gyre (DSDP Site 596). We find that the overall vertebrate community structure, as measured by the relative abundance of sharks to ray-finned fishes, has a punctuated change at the Cretaceous/Paleogene mass extinction. The vertebrate community structure remained stable throughout the Paleogene despite a five-fold increase in overall abundance of ichthyoliths during the extreme greenhouse of the Early Eocene. Further, we use a novel system to quantify the morphological variation in fish teeth. We find that the morphospace occupied by the tooth assemblage is conserved throughout the interval, with a slight expansion following the Cretaceous-Paleogene mass extinction, and the evolution of a distinct morphotype-group around the Paleocene-Eocene boundary. While there are elevated rates of morphotype origination and extinction following the Cretaceous-Paleogene mass extinction, the extreme greenhouse warming of the Early Eocene and associated increase in fish production produce near-zero origination and extinction rates. The relative stability in composition of the pelagic vertebrate community during intervals of extreme climate change and across large ranges of total fish accumulation, suggests that pelagic ecosystem structure is robust to climate events, and that the overall structure of the pelagic fish community may be decoupled from both climate and ecosystem function.

  9. Spatial variations in food web structures with alternative stable states: evidence from stable isotope analysis in a large eutrophic lake

    Science.gov (United States)

    Li, Yunkai; Zhang, Yuying; Xu, Jun; Zhang, Shuo

    2018-03-01

    Food web structures are well known to vary widely among ecosystems. Moreover, many food web studies of lakes have generally attempted to characterize the overall food web structure and have largely ignored internal spatial and environmental variations. In this study, we hypothesize that there is a high degree of spatial heterogeneity within an ecosystem and such heterogeneity may lead to strong variations in environmental conditions and resource availability, in turn resulting in different trophic pathways. Stable carbon and nitrogen isotopes were employed for the whole food web to describe the structure of the food web in different sub-basins within Taihu Lake. This lake is a large eutrophic freshwater lake that has been intensively managed and highly influenced by human activities for more than 50 years. The results show significant isotopic differences between basins with different environmental characteristics. Such differences likely result from isotopic baseline differences combining with a shift in food web structure. Both are related to local spatial heterogeneity in nutrient loading in waters. Such variation should be explicitly considered in future food web studies and ecosystem-based management in this lake ecosystem.

  10. Spatial variations in food web structures with alternative stable states: evidence from stable isotope analysis in a large eutrophic lake

    Science.gov (United States)

    Li, Yunkai; Zhang, Yuying; Xu, Jun; Zhang, Shuo

    2017-05-01

    Food web structures are well known to vary widely among ecosystems. Moreover, many food web studies of lakes have generally attempted to characterize the overall food web structure and have largely ignored internal spatial and environmental variations. In this study, we hypothesize that there is a high degree of spatial heterogeneity within an ecosystem and such heterogeneity may lead to strong variations in environmental conditions and resource availability, in turn resulting in different trophic pathways. Stable carbon and nitrogen isotopes were employed for the whole food web to describe the structure of the food web in different sub-basins within Taihu Lake. This lake is a large eutrophic freshwater lake that has been intensively managed and highly influenced by human activities for more than 50 years. The results show significant isotopic differences between basins with different environmental characteristics. Such differences likely result from isotopic baseline differences combining with a shift in food web structure. Both are related to local spatial heterogeneity in nutrient loading in waters. Such variation should be explicitly considered in future food web studies and ecosystem-based management in this lake ecosystem.

  11. Stable water isotope simulation by current land-surface schemes:Results of IPILPS phase 1

    Energy Technology Data Exchange (ETDEWEB)

    Henderson-Sellers, A.; Fischer, M.; Aleinov, I.; McGuffie, K.; Riley, W.J.; Schmidt, G.A.; Sturm, K.; Yoshimura, K.; Irannejad, P.

    2005-10-31

    Phase 1 of isotopes in the Project for Intercomparison of Land-surface Parameterization Schemes (iPILPS) compares the simulation of two stable water isotopologues ({sup 1}H{sub 2} {sup 18}O and {sup 1}H{sup 2}H{sup 16}O) at the land-atmosphere interface. The simulations are off-line, with forcing from an isotopically enabled regional model for three locations selected to offer contrasting climates and ecotypes: an evergreen tropical forest, a sclerophyll eucalypt forest and a mixed deciduous wood. Here we report on the experimental framework, the quality control undertaken on the simulation results and the method of intercomparisons employed. The small number of available isotopically-enabled land-surface schemes (ILSSs) limits the drawing of strong conclusions but, despite this, there is shown to be benefit in undertaking this type of isotopic intercomparison. Although validation of isotopic simulations at the land surface must await more, and much more complete, observational campaigns, we find that the empirically-based Craig-Gordon parameterization (of isotopic fractionation during evaporation) gives adequately realistic isotopic simulations when incorporated in a wide range of land-surface codes. By introducing two new tools for understanding isotopic variability from the land surface, the Isotope Transfer Function and the iPILPS plot, we show that different hydrological parameterizations cause very different isotopic responses. We show that ILSS-simulated isotopic equilibrium is independent of the total water and energy budget (with respect to both equilibration time and state), but interestingly the partitioning of available energy and water is a function of the models' complexity.

  12. Scale-adaptive surface modeling of vascular structures

    Directory of Open Access Journals (Sweden)

    Ma Xin

    2010-11-01

    Full Text Available Abstract Background The effective geometric modeling of vascular structures is crucial for diagnosis, therapy planning and medical education. These applications require good balance with respect to surface smoothness, surface accuracy, triangle quality and surface size. Methods Our method first extracts the vascular boundary voxels from the segmentation result, and utilizes these voxels to build a three-dimensional (3D point cloud whose normal vectors are estimated via covariance analysis. Then a 3D implicit indicator function is computed from the oriented 3D point cloud by solving a Poisson equation. Finally the vessel surface is generated by a proposed adaptive polygonization algorithm for explicit 3D visualization. Results Experiments carried out on several typical vascular structures demonstrate that the presented method yields both a smooth morphologically correct and a topologically preserved two-manifold surface, which is scale-adaptive to the local curvature of the surface. Furthermore, the presented method produces fewer and better-shaped triangles with satisfactory surface quality and accuracy. Conclusions Compared to other state-of-the-art approaches, our method reaches good balance in terms of smoothness, accuracy, triangle quality and surface size. The vessel surfaces produced by our method are suitable for applications such as computational fluid dynamics simulations and real-time virtual interventional surgery.

  13. Raman microspectroscopy, surface-enhanced Raman scattering microspectroscopy, and stable-isotope Raman microspectroscopy for biofilm characterization.

    Science.gov (United States)

    Ivleva, Natalia P; Kubryk, Patrick; Niessner, Reinhard

    2017-07-01

    Biofilms represent the predominant form of microbial life on our planet. These aggregates of microorganisms, which are embedded in a matrix formed by extracellular polymeric substances, may colonize nearly all interfaces. Detailed knowledge of microorganisms enclosed in biofilms as well as of the chemical composition, structure, and functions of the complex biofilm matrix and their changes at different stages of the biofilm formation and under various physical and chemical conditions is relevant in different fields. Important research topics include the development and improvement of antibiotics and medical devices and the optimization of biocides, antifouling strategies, and biological wastewater treatment. Raman microspectroscopy is a capable and nondestructive tool that can provide detailed two-dimensional and three-dimensional chemical information about biofilm constituents with the spatial resolution of an optical microscope and without interference from water. However, the sensitivity of Raman microspectroscopy is rather limited, which hampers the applicability of Raman microspectroscopy especially at low biomass concentrations. Fortunately, the resonance Raman effect as well as surface-enhanced Raman scattering can help to overcome this drawback. Furthermore, the combination of Raman microspectroscopy with other microscopic techniques, mass spectrometry techniques, or particularly with stable-isotope techniques can provide comprehensive information on monospecies and multispecies biofilms. Here, an overview of different Raman microspectroscopic techniques, including resonance Raman microspectroscopy and surface-enhanced Raman scattering microspectroscopy, for in situ detection, visualization, identification, and chemical characterization of biofilms is given, and the main feasibilities and limitations of these techniques in biofilm research are presented. Future possibilities of and challenges for Raman microspectroscopy alone and in combination with other

  14. Stable, metastable and unstable solutions of a spin-1 Ising system based on the free energy surfaces

    Science.gov (United States)

    Keskİin, Mustafa; Özgan, Şükrü

    1990-04-01

    Stable, metastable and unstable solutions of a spin-1 Ising model with bilinear and biquadratic interactions are found by using the free energy surfaces. The free energy expression is obtained in the lowest approximation of the cluster variation method. All these solutions are shown in the two-dimensional phase space, especially the unstable solutions which in some cases are difficult to illustrate in the two-dimensional phase space, found by Keskin et al. recently.

  15. Sub-µm structured lotus surfaces manufacturing

    DEFF Research Database (Denmark)

    Worgull, Matthias; Heckele, Mathias; Mappes, Timo

    2009-01-01

    . Unlike to stochastic methods, patterning with a LIGA-mold insert it is possible to structure surfaces very uniformly or even with controlled variations (e.g., with gradients). In this paper we present the process chain to realize polymer sub-lm structures with minimum lateral feature size of 400 nm...

  16. Bacterioplankton communities of Crater Lake, OR: Dynamic changes with euphotic zone food web structure and stable deep water populations

    Science.gov (United States)

    Urbach, E.; Vergin, K.L.; Larson, G.L.; Giovannoni, S.J.

    2007-01-01

    The distribution of bacterial and archaeal species in Crater Lake plankton varies dramatically over depth and with time, as assessed by hybridization of group-specific oligonucleotides to RNA extracted from lakewater. Nonmetric, multidimensional scaling (MDS) analysis of relative bacterial phylotype densities revealed complex relationships among assemblages sampled from depth profiles in July, August and September of 1997 through 1999. CL500-11 green nonsulfur bacteria (Phylum Chloroflexi) and marine Group I crenarchaeota are consistently dominant groups in the oxygenated deep waters at 300 and 500 m. Other phylotypes found in the deep waters are similar to surface and mid-depth populations and vary with time. Euphotic zone assemblages are dominated either by ??-proteobacteria or CL120-10 verrucomicrobia, and ACK4 actinomycetes. MDS analyses of euphotic zone populations in relation to environmental variables and phytoplankton and zooplankton population structures reveal apparent links between Daphnia pulicaria zooplankton population densities and microbial community structure. These patterns may reflect food web interactions that link kokanee salmon population densities to community structure of the bacterioplankton, via fish predation on Daphnia with cascading consequences to Daphnia bacterivory and predation on bacterivorous protists. These results demonstrate a stable bottom-water microbial community. They also extend previous observations of food web-driven changes in euphotic zone bacterioplankton community structure to an oligotrophic setting. ?? 2007 Springer Science+Business Media B.V.

  17. [Research progress on food sources and food web structure of wetlands based on stable isotopes].

    Science.gov (United States)

    Chen, Zhan Yan; Wu, Hai Tao; Wang, Yun Biao; Lyu, Xian Guo

    2017-07-18

    The trophic dynamics of wetland organisms is the basis of assessing wetland structure and function. Stable isotopes of carbon and nitrogen have been widely applied to identify trophic relationships in food source, food composition and food web transport in wetland ecosystem studies. This paper provided an overall review about the current methodology of isotope mixing model and trophic level in wetland ecosystems, and discussed the standards of trophic fractionation and baseline. Moreover, we characterized the typical food sources and isotopic compositions of wetland ecosystems, summarized the food sources in different trophic levels of herbivores, omnivores and carnivores based on stable isotopic analyses. We also discussed the limitations of stable isotopes in tra-cing food sources and in constructing food webs. Based on the current results, development trends and upcoming requirements, future studies should focus on sample treatment, conservation and trophic enrichment measurement in the wetland food web, as well as on combing a variety of methodologies including traditional stomach stuffing, molecular markers, and multiple isotopes.

  18. Sub-µ structured Lotus Surfaces Manufacturing

    DEFF Research Database (Denmark)

    Worgull, Matthias; Heckele, Mathias; Mappes, Timo

    2008-01-01

    . Unlike to stochastic methods, patternin¬g with a LIGA-mold insert it is possible to structure surfaces very uniformly or even with controlled variations (e.g. with gradients). In this paper we present the process chain to realize polymer sub-micro structures with minimum lateral feature size of 400 nm...

  19. Surface band structures on Nb(001)

    International Nuclear Information System (INIS)

    Fang, B.; Lo, W.; Chien, T.; Leung, T.C.; Lue, C.Y.; Chan, C.T.; Ho, K.M.

    1994-01-01

    We report the joint studies of experimental and theoretical surface band structures of Nb(001). Angle-resolved photoelectron spectroscopy was used to determine surface-state dispersions along three high-symmetry axes bar Γ bar M, bar Γ bar X, and bar M bar X in the surface Brillouin zone. Ten surface bands have been identified. The experimental data are compared to self-consistent pseudopotential calculations for the 11-layer Nb(001) slabs that are either bulk terminated or fully relaxed (with a 12% contraction for the first interlayer spacing). The band calculations for a 12% surface-contracted slab are in better agreement with the experimental results than those for a bulk-terminated slab, except for a surface resonance near the Fermi level, which is related to the spin-orbit interaction. The charge profiles for all surface states or resonances have been calculated. Surface contraction effects on the charge-density distribution and the energy position of surface states and resonances will also be discussed

  20. Facile method for preparing superoleophobic surfaces with hierarchical microcubic/nanowire structures

    Science.gov (United States)

    Kwak, Wonshik; Hwang, Woonbong

    2016-02-01

    To facilitate the fabrication of superoleophobic surfaces having hierarchical microcubic/nanowire structures (HMNS), even for low surface tension liquids including octane (surface tension = 21.1 mN m-1), and to understand the influences of surface structures on the oleophobicity, we developed a convenient method to achieve superoleophobic surfaces on aluminum substrates using chemical acid etching, anodization and fluorination treatment. The liquid repellency of the structured surface was validated through observable experimental results the contact and sliding angle measurements. The etching condition required to ensure high surface roughness was established, and an optimal anodizing condition was determined, as a critical parameter in building the superoleophobicity. The microcubic structures formed by acid etching are essential for achieving the formation of the hierarchical structure, and therefore, the nanowire structures formed by anodization lead to an enhancement of the superoleophobicity for low surface tension liquids. Under optimized morphology by microcubic/nanowire structures with fluorination treatment, the contact angle over 150° and the sliding angle less than 10° are achieved even for octane.

  1. Stable isotope studies

    International Nuclear Information System (INIS)

    Ishida, T.

    1992-01-01

    The research has been in four general areas: (1) correlation of isotope effects with molecular forces and molecular structures, (2) correlation of zero-point energy and its isotope effects with molecular structure and molecular forces, (3) vapor pressure isotope effects, and (4) fractionation of stable isotopes. 73 refs, 38 figs, 29 tabs

  2. Tensioned Fabric Structures with Surface in the Form of Chen-Gackstatter

    Directory of Open Access Journals (Sweden)

    Yee Hooi Min

    2016-01-01

    Full Text Available Form-finding has to be carried out for tensioned fabric structure in order to determine the initial equilibrium shape under prescribed support condition and prestress pattern. Tensioned fabric structures are normally designed to be in the form of equal tensioned surface. Tensioned fabric structure is highly suited to be used for realizing surfaces of complex or new forms. However, research study on a new form as a tensioned fabric structure has not attracted much attention. Another source of inspiration minimal surface which could be adopted as form for tensioned fabric structure is very crucial. The aim of this study is to propose initial equilibrium shape of tensioned fabric structures in the form of Chen-Gackstatter. Computational form-finding using nonlinear analysis method is used to determine the Chen-Gackstatter form of uniformly stressed surfaces. A tensioned fabric structure must curve equally in opposite directions to give the resulting surface a three dimensional stability. In an anticlastic doubly curved surface, the sum of all positive and all negative curvatures is zero. This study provides an alternative choice for structural designer to consider the Chen-Gackstatter applied in tensioned fabric structures. The results on factors affecting initial equilibrium shape can serve as a reference for proper selection of surface parameter for achieving a structurally viable surface.

  3. A chemically stable electrolyte with a novel sandwiched structure for proton-conducting solid oxide fuel cells (SOFCs)

    KAUST Repository

    Bi, Lei

    2013-11-01

    A chemically stable electrolyte structure was developed for proton-conducting SOFCs by using two layers of stable BaZr0.7Pr 0.1Y0.2O3 -δ to sandwich a highly-conductive but unstable BaCe0.8Y0.2O 3 -δ electrolyte layer. The sandwiched electrolyte structure showed good chemical stability in both CO2 and H2O atmosphere, indicating that the BZPY layers effectively protect the inner BCY electrolyte, while the BCY electrolyte alone decomposed completely under the same conditions. Fuel cell prototypes fabricated with the sandwiched electrolyte achieved a relatively high performance of 185 mW cm- 2 at 700 C, with a high electrolyte film conductivity of 4 × 10- 3 S cm- 1 at 600 C. © 2013 Elsevier B.V.

  4. Designing visual appearance using a structured surface

    DEFF Research Database (Denmark)

    Johansen, Villads Egede; Thamdrup, Lasse Højlund; Smitrup, Christian

    2015-01-01

    followed by numerical and experimental verification. The approach comprises verifying all design and fabrication steps required to produce a desired appearance. We expect that the procedure in the future will yield structurally colored surfaces with appealing prescribed visual appearances.......We present an approach for designing nanostructured surfaces with prescribed visual appearances, starting at design analysis and ending with a fabricated sample. The method is applied to a silicon wafer structured using deep ultraviolet lithography and dry etching and includes preliminary design...

  5. Ab initio-based approach to reconstruction, adsorption and incorporation on GaN surfaces

    International Nuclear Information System (INIS)

    Ito, T; Akiyama, T; Nakamura, K

    2012-01-01

    Reconstruction, adsorption and incorporation on various GaN surfaces are systematically investigated using an ab initio-based approach that predicts the surface phase diagram as functions of temperature and beam-equivalent pressure (BEP). The calculated results for GaN surface reconstructions with polar (0 0 0 1), nonpolar (1 1 −2 0), semipolar (1 −1 0 1) and semipolar (1 1 −2 2) orientations imply that reconstructions on GaN surfaces with Ga adlayers generally appear on the polar and the semipolar surfaces, while the stable ideal surface without Ga adsorption is found on the nonpolar GaN(1 1 −2 0) surface because it satisfies the electron counting rule. The hydrogen adsorption on GaN(0 0 0 1) and GaN(1 1 −2 0) realizes several surface structures forming N–H and Ga–NH 2 bonds on their surfaces that depend on temperature and Ga BEP during metal-organic vapor-phase epitaxy (MOVPE). In contrast, the stable structures due to hydrogen adsorption on the semipolar GaN(1 −1 0 1) and GaN(1 1 −2 2) surfaces are not varied over the wide range of temperature and Ga BEP. This implies that the hydrogen adsorbed stable structures are expected to emerge on the semipolar surfaces during MOVPE regardless of the growth conditions. Furthermore, we clarify that Mg incorporation on GaN(1 −1 0 1) surfaces is enhanced by hydrogen adsorption consistent with experimental findings

  6. MR imaging of brain surface structures

    International Nuclear Information System (INIS)

    Katada, Kazuhiro; Anno, Hirofumi; Takesita, Gen; Koga, Sukehiko; Kanno, Tetuo; Sakakibara, Tatuo; Yamada, Kazuhiro; Suzuki, Hirokazu; Saito, Sigeki.

    1989-01-01

    An imaging technique that permits direct and non-invasive visualization of brain surface structures was proposed. This technique (Surface anatomy scanning, SAS) consists of long TE-long TR spin echo sequence, thick slice and surface coil. Initial clinical trials in 31 patients with various cerebral pathology showed excellent visualization of sulci, gyri and major cortical veins on the lateral surface of the brain together with cortical and subcortical lesions. Our preliminary results indicate that the SAS is an effective method for the diagnosis and localization of cortical and subcortical pathology, and the possible application of SAS to the surgical and the radiation therapy planning is sugessted. (author)

  7. Importance of initial buoyancy field on evolution of mantle thermal structure: Implications of surface boundary conditions

    Directory of Open Access Journals (Sweden)

    Petar Glišović

    2015-01-01

    Full Text Available Although there has been significant progress in the seismic imaging of mantle heterogeneity, the outstanding issue that remains to be resolved is the unknown distribution of mantle temperature anomalies in the distant geological past that give rise to the present-day anomalies inferred by global tomography models. To address this question, we present 3-D convection models in compressible and self-gravitating mantle initialised by different hypothetical temperature patterns. A notable feature of our forward convection modelling is the use of self-consistent coupling of the motion of surface tectonic plates to the underlying mantle flow, without imposing prescribed surface velocities (i.e., plate-like boundary condition. As an approximation for the surface mechanical conditions before plate tectonics began to operate we employ the no-slip (rigid boundary condition. A rigid boundary condition demonstrates that the initial thermally-dominated structure is preserved, and its geographical location is fixed during the evolution of mantle flow. Considering the impact of different assumed surface boundary conditions (rigid and plate-like on the evolution of thermal heterogeneity in the mantle we suggest that the intrinsic buoyancy of seven superplumes is most-likely resolved in the tomographic images of present-day mantle thermal structure. Our convection simulations with a plate-like boundary condition reveal that the evolution of an initial cold anomaly beneath the Java-Indonesian trench system yields a long-term, stable pattern of thermal heterogeneity in the lowermost mantle that resembles the present-day Large Low Shear Velocity Provinces (LLSVPs, especially below the Pacific. The evolution of subduction zones may be, however, influenced by the mantle-wide flow driven by deeply-rooted and long-lived superplumes since Archean times. These convection models also detect the intrinsic buoyancy of the Perm Anomaly that has been identified as a unique

  8. Unoccupied surface electronic structure of Gd(0001)

    International Nuclear Information System (INIS)

    Li, D.; Dowben, P.A.; Ortega, J.E.; Himpsel, F.J.

    1994-01-01

    The unoccupied surface electronic structure of Gd(0001) was investigated with high-resolution inverse-photoemission spectroscopy. An empty surface state near E F is observed at bar Γ. Two other surface-sensitive features are also revealed at 1.2 and 3.1 eV above the Fermi level. Hydrogen adsorption on Gd surfaces was used to distinguish the surface-sensitive features from the bulk features. The unoccupied bulk-band critical points are determined to be Γ 3 + at 1.9 eV and A 1 at 0.8 eV

  9. Structure of the moon's surface

    CERN Document Server

    Fielder, Gilbert

    1961-01-01

    Structure of the Moon's Surface aims to assemble and marshal relevant matter, and to produce a largely unprejudiced text which brings lunar studies up to date and stresses the importance of certain features of the Moon which have frequently been disregarded in the past, largely because of lack of knowledge about them. The book contains 14 chapters organized into two parts. Part I reviews and summarizes important physical problems. These include the liberations of the moon; height determinations of points of the moon's surface; the figure of the moon; and the moon's temperature and atmosphere.

  10. TED analysis of the Si(113) surface structure

    Science.gov (United States)

    Suzuki, T.; Minoda, H.; Tanishiro, Y.; Yagi, K.

    1999-09-01

    We carried out a TED (transmission electron diffraction) analysis of the Si(113) surface structure. The TED patterns taken at room temperature showed reflections due to the 3×2 reconstructed structure. The TED pattern indicated that a glide plane parallel to the direction suggested in some models is excluded. We calculated the R-factors (reliability factors) for six surface structure models proposed previously. All structure models with energy-optimized atomic positions have large R-factors. After revision of the atomic positions, the R-factors of all the structure models decreased below 0.3, and the revised version of Dabrowski's 3×2 model has the smallest R-factor of 0.17.

  11. Surface structured platinum electrodes for the electrochemical reduction of carbon dioxide in imidazolium based ionic liquids.

    Science.gov (United States)

    Hanc-Scherer, Florin A; Montiel, Miguel A; Montiel, Vicente; Herrero, Enrique; Sánchez-Sánchez, Carlos M

    2015-10-07

    The direct CO2 electrochemical reduction on model platinum single crystal electrodes Pt(hkl) is studied in [C2mim(+)][NTf2(-)], a suitable room temperature ionic liquid (RTIL) medium due to its moderate viscosity, high CO2 solubility and conductivity. Single crystal electrodes represent the most convenient type of surface structured electrodes for studying the impact of RTIL ion adsorption on relevant electrocatalytic reactions, such as surface sensitive electrochemical CO2 reduction. We propose here based on cyclic voltammetry and in situ electrolysis measurements, for the first time, the formation of a stable adduct [C2mimH-CO2(-)] by a radical-radical coupling after the simultaneous reduction of CO2 and [C2mim(+)]. It means between the CO2 radical anion and the radical formed from the reduction of the cation [C2mim(+)] before forming the corresponding electrogenerated carbene. This is confirmed by the voltammetric study of a model imidazolium-2-carboxylate compound formed following the carbene pathway. The formation of that stable adduct [C2mimH-CO2(-)] blocks CO2 reduction after a single electron transfer and inhibits CO2 and imidazolium dimerization reactions. However, the electrochemical reduction of CO2 under those conditions provokes the electrochemical cathodic degradation of the imidazolium based RTIL. This important limitation in CO2 recycling by direct electrochemical reduction is overcome by adding a strong acid, [H(+)][NTf2(-)], into solution. Then, protons become preferentially adsorbed on the electrode surface by displacing the imidazolium cations and inhibiting their electrochemical reduction. This fact allows the surface sensitive electro-synthesis of HCOOH from CO2 reduction in [C2mim(+)][NTf2(-)], with Pt(110) being the most active electrode studied.

  12. Towards hydrochemical PUB - stable vs. heterogeneous NO3 and COD signatures across hydrographic structure and size

    Science.gov (United States)

    Ecrepont, Stephane; Cudennec, Christophe; Jaffrezic, Anne; de Lavenne, Alban

    2017-04-01

    Towards hydrochemical PUB - stable vs. heterogeneous NO3 and DOC signatures across hydrographic structure and size Ecrepont, S.1Cudennec, C.1 Jaffrézic, A.1 de Lavenne, A.2 1UMR SAS, Agrocampus Ouest, Rennes, France 2 HBAN, Irstea, Antony, France Intensive agriculture is a major disturbing factor for water quality in Brittany, France. Observations of chemical data from 350 catchments over a 15 year period show that the high variability of hydrochemical dynamics between catchments in relation to geographic characteristics and farming practices, decreases with an increase in the catchment size. A stable signature of nitrate and DOC dynamics does emerge for bigger catchments, and was evidenced statistically. We adapted a modified version of the standard deviation formula to calculate an index on mean inter-annual winter nitrate and dissolved organic carbon concentrations to characterize each catchment. The method was applied to the whole sample of catchments, some of them nested, to investigate variation of our new index across scales and regions. Results show an increasing and non-linear relationship between the criterion and the surface, with threshold effects. The stability of the thresholds across river basins in Brittany, and across seasons and years is explored. This emergence relates to the progressive connection of streams with heterogeneous characteristic chemical signatures into a mixing dominant effect. The better assessment of this relationship opens two major perspectives: i) to define a geomorphology-based PUB (Prediction in Ungauged Basins) approach for hydrochemistry; ii) to identify the most critical sub-catchments for mitigating actions in terms of farming and landscape practices towards water quality recovery.

  13. Surface forces between rough and topographically structured interfaces

    DEFF Research Database (Denmark)

    Thormann, Esben

    2017-01-01

    Within colloidal science, direct or indirect measurements of surface forces represent an important tool for developing a fundamental understanding of colloidal systems, as well as for predictions of the stability of colloidal suspensions. While the general understanding of colloidal interactions...... and manufactured materials, which possess topographical variations. Further, with technological advances in nanotechnology, fabrication of nano- or micro-structured surfaces has become increasingly important for many applications, which calls for a better understanding of the effect of surface topography...... on the interaction between interfaces. This paper presents a review of the current state of understanding of the effect of surface roughness on DLVO forces, as well as on the interactions between topographically structured hydrophobic surfaces in water. While the first case is a natural choice because it represents...

  14. Surface structure analysis by means of Rutherford scattering: methods to study surface relaxation

    International Nuclear Information System (INIS)

    Turkenburg, W.C.; Soszka, W.; Saris, F.W.; Kersten, H.H.; Colenbrander, B.G.

    1976-01-01

    The use of Rutherford backscattering for structural analysis of single crystal surfaces is reviewed, and a new method is introduced. With this method, which makes use of the channeling and blocking phenomenon of light ions of medium energy, surface atoms can be located with a precision of 0.02 A. This is demonstrated in a measurement of surface relaxation for the Cu(110) surface. (Auth.)

  15. Nanoscale analysis of the morphology and surface stability of calcium carbonate polymorphs

    Science.gov (United States)

    Sekkal, W.; Zaoui, A.

    2013-04-01

    Under earth surface conditions, in ocean and natural water, calcium carbonate is ubiquitous, forming anhydrous and hydrous minerals. These hydrous phases are of considerable interest for their role as precursors to stable carbonate minerals. Atomistic simulation techniques have been employed here to perform a comprehensive and quantitative study of the structural and energetic stability of dry and hydrous surfaces of calcium carbonate polymorphs using two recently developed forcefields. Results show that the dry forms are prone to ductility; while hydrous phases are found to be brittle. The (001) surface of monohydrocalcite appears to be the most stable (0.99 J/m2) whereas for the ikaite phase, the (001) surface is the most stable. The corresponding value is 0.2 J/m2, i.e. even lower than the surface energy of the Beautiful computed morphology pictures are obtained with Xiao's model and are very similar to the observed SEM images.

  16. Compression and Injection Moulding of Nano-Structured Polymer Surfaces

    DEFF Research Database (Denmark)

    Pranov, Henrik; Rasmussen, Henrik Koblitz

    2006-01-01

    In our research we investigate the non-isothermal replication of complex nano and micro surface structures in injection and compression moulding.......In our research we investigate the non-isothermal replication of complex nano and micro surface structures in injection and compression moulding....

  17. Conciliating surface superhydrophobicities and mechanical strength of porous silicon films

    Science.gov (United States)

    Wang, Fuguo; Zhao, Kun; Cheng, Jinchun; Zhang, Junyan

    2011-01-01

    Hydrophobic surfaces on Mechanical stable macroporous silicon films were prepared by electrochemical etching with subsequent octadecyltrichlorosilane (OTS) modification. The surface morphologies were controlled by current densities and the mechanical properties were adjusted by their corresponding porosities. Contrast with the smooth macroporous silicon films with lower porosities (34.1%) and microporous silicon with higher porosities (97%), the macroporous film with a rough three-dimension (3D) surface and a moderate pore to cross-section area ratio (37.8%, PSi2‧) exhibited both good mechanical strength (Yong' modulus, shear modulus and collapse strength are 64.2, 24.1 and 0.32 GPa, respectively) and surface superhydrophobicity (water contact angle is 158.4 ± 2° and sliding angle is 2.7 ± 1°). This result revealed that the surface hydrophobicities (or the surface roughness) and mechanical strength of porous films could be conciliated by pore to cross-section area ratios control and 3D structures construction. Thus, the superhydrophobic surfaces on mechanical stable porous films could be obtained by 3D structures fabrication on porous film with proper pore to cross-section area ratios.

  18. Superhydrophobicity of biological and technical surfaces under moisture condensation: stability in relation to surface structure.

    Science.gov (United States)

    Mockenhaupt, Bernd; Ensikat, Hans-Jürgen; Spaeth, Manuel; Barthlott, Wilhelm

    2008-12-02

    The stability of superhydrophobic properties of eight plants and four technical surfaces in respect to water condensation has been compared. Contact and sliding angles were measured after application of water drops of ambient temperature (20 degrees C) onto cooled surfaces. Water evaporating from the drops condensed, due to the temperature difference between the drops and the surface, on the cooled samples, forming "satellite droplets" in the vicinity of the drops. Surface cooling to 15, 10, and 5 degrees C showed a gradual decrease of superhydrophobicity. The decrease was dependent on the specific surface architecture of the sample. The least decrease was found on hierarchically structured surfaces with a combination of a coarse microstructure and submicrometer-sized structures, similar to that of the Lotus leaf. Control experiments with glycerol droplets, which show no evaporation, and thus no condensation, were carried out to verify that the effects with water were caused by condensation from the drop (secondary condensation). Furthermore, the superhydrophobic properties after condensation on cooled surfaces from a humid environment for 10 min were examined. After this period, the surfaces were covered with spherical water droplets, but most samples retained their superhydrophobicity. Again, the best stability of the water-repellent properties was found on hierarchically structured surfaces similar to that of the Lotus leaf.

  19. Calcium stable isotope geochemistry

    Energy Technology Data Exchange (ETDEWEB)

    Gausonne, Nikolaus [Muenster Univ. (Germany). Inst. fuer Mineralogie; Schmitt, Anne-Desiree [Strasbourg Univ. (France). LHyGeS/EOST; Heuser, Alexander [Bonn Univ. (Germany). Steinmann-Inst. fuer Geologie, Mineralogie und Palaeontologie; Wombacher, Frank [Koeln Univ. (Germany). Inst. fuer Geologie und Mineralogie; Dietzel, Martin [Technische Univ. Graz (Austria). Inst. fuer Angewandte Geowissenschaften; Tipper, Edward [Cambridge Univ. (United Kingdom). Dept. of Earth Sciences; Schiller, Martin [Copenhagen Univ. (Denmark). Natural History Museum of Denmark

    2016-08-01

    This book provides an overview of the fundamentals and reference values for Ca stable isotope research, as well as current analytical methodologies including detailed instructions for sample preparation and isotope analysis. As such, it introduces readers to the different fields of application, including low-temperature mineral precipitation and biomineralisation, Earth surface processes and global cycling, high-temperature processes and cosmochemistry, and lastly human studies and biomedical applications. The current state of the art in these major areas is discussed, and open questions and possible future directions are identified. In terms of its depth and coverage, the current work extends and complements the previous reviews of Ca stable isotope geochemistry, addressing the needs of graduate students and advanced researchers who want to familiarize themselves with Ca stable isotope research.

  20. Calcium stable isotope geochemistry

    International Nuclear Information System (INIS)

    Gausonne, Nikolaus; Schmitt, Anne-Desiree; Heuser, Alexander; Wombacher, Frank; Dietzel, Martin; Tipper, Edward; Schiller, Martin

    2016-01-01

    This book provides an overview of the fundamentals and reference values for Ca stable isotope research, as well as current analytical methodologies including detailed instructions for sample preparation and isotope analysis. As such, it introduces readers to the different fields of application, including low-temperature mineral precipitation and biomineralisation, Earth surface processes and global cycling, high-temperature processes and cosmochemistry, and lastly human studies and biomedical applications. The current state of the art in these major areas is discussed, and open questions and possible future directions are identified. In terms of its depth and coverage, the current work extends and complements the previous reviews of Ca stable isotope geochemistry, addressing the needs of graduate students and advanced researchers who want to familiarize themselves with Ca stable isotope research.

  1. Dynamic Risk Assessment of Sexual Offenders: Validity and Dimensional Structure of the Stable-2007.

    Science.gov (United States)

    Etzler, Sonja; Eher, Reinhard; Rettenberger, Martin

    2018-02-01

    In this study, the predictive and incremental validity of the Stable-2007 beyond the Static-99 was evaluated in an updated sample of N = 638 adult male sexual offenders followed-up for an average of M = 8.2 years. Data were collected at the Federal Evaluation Center for Violent and Sexual Offenders (FECVSO) in Austria within a prospective-longitudinal research design. Scores and risk categories of the Static-99 (AUC = .721; p risk categories contributed incrementally to the prediction of sexual recidivism beyond the Static-99. Analyzing the dimensional structure of the Stable-2007 yielded three factors, named Antisociality, Sexual Deviance, and Hypersexuality. Antisociality and Sexual Deviance were significant predictors for sexual recidivism. Sexual Deviance was negatively associated with non-sexual violent recidivism. Comparisons with latent dimensions of other risk assessment instruments are made and implications for applied risk assessment are discussed.

  2. Highly transparent, stable, and superhydrophobic coatings based on gradient structure design and fast regeneration from physical damage

    Science.gov (United States)

    Chen, Zao; Liu, Xiaojiang; Wang, Yan; Li, Jun; Guan, Zisheng

    2015-12-01

    Optical transparency, mechanical flexibility, and fast regeneration are important factors to expand the application of superhydrophobic surfaces. Herein, we fabricated highly transparent, stable, and superhydrophobic coatings through a novel gradient structure design by versatile dip-coating of silica colloid particles (SCPs) and diethoxydimethysiliane cross-linked silica nanoparticles (DDS-SNPs) on polyethylene terephthalate (PET) film and glass, followed by the modification of octadecyltrichlorosiliane (OTCS). When the DDS concentration reached 5 wt%, the modified SCPs/DDS-SNPs coating exhibited a water contact angle (WCA) of 153° and a sliding angle (SA) glass was increased by 2.7% and 1% in the visible wavelength, respectively. This superhydrophobic coating also showed good robustness and stability against water dropping impact, ultrasonic damage, and acid solution. Moreover, the superhydrophobic PET film after physical damage can quickly regain the superhydrophobicity by one-step spray regenerative solution of dodecyltrichlorosilane (DTCS) modified silica nanoparticles at room temperature. The demonstrated method for the preparation and regeneration of superhydrophobic coating is available for different substrates and large-scale production at room temperature.

  3. Surface morphology and electronic structure of Ni/Ag(100)

    International Nuclear Information System (INIS)

    Hite, D. A.; Kizilkaya, O.; Sprunger, P. T.; Howard, M. M.; Ventrice, C. A. Jr.; Geisler, H.; Zehner, D. M.

    2000-01-01

    The growth morphology and electronic structure of Ni on Ag(100) has been studied with scanning tunneling microscopy (STM) and synchrotron based angle resolved photoemission spectroscopy. At deposition temperatures at or below 300 K, STM reveals Ni cluster growth on the surface along with some subsurface growth. Upon annealing to 420 K, virtually all Ni segregates into the subsurface region forming embedded nanoclusters. The electronic structure of Ni d bands in the unannealed surface shows dispersion only perpendicular to the surface whereas the annealed surface has Ni d bands that exhibit a three-dimensional-like structure. This is a result of the increased Ni d-Ag sp hybridization bonding and increased coordination of the embedded Ni nanoclusters. (c) 2000 American Vacuum Society

  4. Nitrogen adsorption on Fe(111), (100), and (110) surfaces

    DEFF Research Database (Denmark)

    Mortensen, Jens Jørgen; Ganduglia-Pirovano, Veronica; Hansen, Lars Bruno

    1999-01-01

    Adsorption energies and structures for N atoms on three low-index surfaces of Fe have been calculated using density functional theory (DFT) and the generalized gradient approximation (GGA). At low N coverage the adsorption energy on Fe(100) is found to be similar to 0.7 eV higher than on the (111......) and (110) surfaces - particularly the c(2 x 2)-N/Fe(100) structure with the N atoms in four-fold sites is very stable. We attribute the differences in adsorption energy to the lack of four-fold sites on the (111) and (110) surfaces, We suggest that at higher N coverages, islands with a structure similar...

  5. Structural coloration of metallic surfaces with micro/nano-structures induced by elliptical vibration texturing

    Science.gov (United States)

    Yang, Yang; Pan, Yayue; Guo, Ping

    2017-04-01

    Creating orderly periodic micro/nano-structures on metallic surfaces, or structural coloration, for control of surface apparent color and optical reflectivity has been an exciting research topic over the years. The direct applications of structural coloration include color marking, display devices, and invisibility cloak. This paper presents an efficient method to colorize metallic surfaces with periodic micro/nano-gratings using elliptical vibration texturing. When the tool vibration is coupled with a constant cutting velocity, controlled periodic ripples can be generated due to the overlapping tool trajectory. These periodic ripples with a wavelength near visible spectrum can act as micro-gratings to introduce iridescent colors. The proposed technique also provides a flexible method for color marking of metallic surfaces with arbitrary patterns and images by precise control of the spacing distance and orientation of induced micro/nano-ripples. Theoretical analysis and experimental results are given to demonstrate structural coloration of metals by a direct mechanical machining technique.

  6. 1-Dodecanethiol based highly stable self-assembled monolayers for germanium passivation

    International Nuclear Information System (INIS)

    Cai, Qi; Xu, Baojian; Ye, Lin; Di, Zengfeng; Huang, Shanluo; Du, Xiaowei; Zhang, Jishen; Jin, Qinghui; Zhao, Jianlong

    2015-01-01

    Highlights: • A simple and effective approach for higly stable germanium passivation. • 1-Dodecanethiol self-assembled monolayers for germanium oxidation resistance. • The influence factors of germanium passivation were systematically studied. • The stability of the passivated Ge was more than 10 days even in water conditions. - Abstract: As a typical semiconductor material, germanium has the potential to replace silicon for future-generation microelectronics, due to its better electrical properties. However, the lack of stable surface state has limited its extensive use for several decades. In this work, we demonstrated highly stable self-assembled monolayers (SAMs) on Ge surface to prevent oxidization for further applications. After the pretreatment in hydrochloric acid, the oxide-free and Cl-terminated Ge could be further coated with 1-dodecanethiol (NDM) SAMs. The influence factors including reaction time, solvent component and reaction temperature were optimized to obtain stable passivated monolayer for oxidation resistance. Contact angle analysis, atomic force microscopy, ellipsometer and X-ray photoelectron spectroscopy were performed to characterize the functionalized Ge surface respectively. Meanwhile, the reaction mechanism and stability of thiols SAMs on Ge (1 1 1) surface were investigated. Finally, highly stable passivated NDM SAMs on Ge surface could be formed through immersing oxide-free Ge in mixture solvent (water/ethanol, v/v = 1:1) at appropriately elevated temperature (∼80 °C) for 24 h. And the corresponding optimized passivated Ge surface was stable for more than 10 days even in water condition, which was much longer than the data reported and paved the way for the future practical applications of Ge.

  7. 1-Dodecanethiol based highly stable self-assembled monolayers for germanium passivation

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Qi [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No. 865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No. 19A, Yuquan Road, Beijing 100049 (China); Xu, Baojian, E-mail: xbj@mail.sim.ac.cn [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No. 865, Changning Road, Shanghai 200050 (China); Shanghai Internet of Things Co., LTD, No. 1455, Pingcheng Road, Shanghai 201899 (China); Ye, Lin [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No. 865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No. 19A, Yuquan Road, Beijing 100049 (China); Di, Zengfeng [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No. 865, Changning Road, Shanghai 200050 (China); Huang, Shanluo; Du, Xiaowei [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No. 865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No. 19A, Yuquan Road, Beijing 100049 (China); Zhang, Jishen; Jin, Qinghui [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No. 865, Changning Road, Shanghai 200050 (China); Zhao, Jianlong, E-mail: jlzhao@mail.sim.ac.cn [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No. 865, Changning Road, Shanghai 200050 (China)

    2015-10-30

    Highlights: • A simple and effective approach for higly stable germanium passivation. • 1-Dodecanethiol self-assembled monolayers for germanium oxidation resistance. • The influence factors of germanium passivation were systematically studied. • The stability of the passivated Ge was more than 10 days even in water conditions. - Abstract: As a typical semiconductor material, germanium has the potential to replace silicon for future-generation microelectronics, due to its better electrical properties. However, the lack of stable surface state has limited its extensive use for several decades. In this work, we demonstrated highly stable self-assembled monolayers (SAMs) on Ge surface to prevent oxidization for further applications. After the pretreatment in hydrochloric acid, the oxide-free and Cl-terminated Ge could be further coated with 1-dodecanethiol (NDM) SAMs. The influence factors including reaction time, solvent component and reaction temperature were optimized to obtain stable passivated monolayer for oxidation resistance. Contact angle analysis, atomic force microscopy, ellipsometer and X-ray photoelectron spectroscopy were performed to characterize the functionalized Ge surface respectively. Meanwhile, the reaction mechanism and stability of thiols SAMs on Ge (1 1 1) surface were investigated. Finally, highly stable passivated NDM SAMs on Ge surface could be formed through immersing oxide-free Ge in mixture solvent (water/ethanol, v/v = 1:1) at appropriately elevated temperature (∼80 °C) for 24 h. And the corresponding optimized passivated Ge surface was stable for more than 10 days even in water condition, which was much longer than the data reported and paved the way for the future practical applications of Ge.

  8. Trophic structure of mesopelagic fishes in the Gulf of Mexico revealed by gut content and stable isotope analyses

    Science.gov (United States)

    McClain-Counts, Jennifer P.; Demopoulos, Amanda W.J.; Ross, Steve W.

    2017-01-01

    Mesopelagic fishes represent an important component of the marine food web due to their global distributions, high abundances and ability to transport organic material throughout a large part of the water column. This study combined stable isotope (SIAs) and gut content analyses (GCAs) to characterize the trophic structure of mesopelagic fishes in the North-Central Gulf of Mexico. Additionally, this study examined whether mesopelagic fishes utilized chemosynthetic energy from cold seeps. Specimens were collected (9–25 August 2007) over three deep (>1,000 m) cold seeps at discrete depths (surface to 1,503 m) over the diurnal cycle. GCA classified 31 species (five families) of mesopelagic fishes into five feeding guilds: piscivores, large crustacean consumers, copepod consumers, generalists and mixed zooplanktivores. However, these guilds were less clearly defined based on stable isotope mixing model (MixSIAR) results, suggesting diets may be more mixed over longer time periods (weeks–months) and across co-occurring species. Copepods were likely important for the majority of mesopelagic fishes, consistent with GCA (this study) and previous literature. MixSIAR results also identified non-crustacean prey items, including salps and pteropods, as potentially important prey items for mesopelagic fishes, including those fishes not analysed in GCA (Sternoptyx spp. and Melamphaidae). Salps and other soft-bodied species are often missed in GCAs. Mesopelagic fishes had δ13C results consistent with particulate organic matter serving as the baseline organic carbon source, fueling up to three trophic levels. Fishes that undergo diel vertical migration were depleted in 15N relative to weak migrators, consistent with depth-specific isotope trends in sources and consumers, and assimilation of 15N-depleted organic matter in surface waters. Linear correlations between fish size and δ15N values suggested ontogenetic changes in fish diets for several species. While there was

  9. Turbulence and pollutant transport in urban street canyons under stable stratification: a large-eddy simulation

    Science.gov (United States)

    Li, X.

    2014-12-01

    Thermal stratification of the atmospheric surface layer has strong impact on the land-atmosphere exchange of turbulent, heat, and pollutant fluxes. Few studies have been carried out for the interaction of the weakly to moderately stable stratified atmosphere and the urban canopy. This study performs a large-eddy simulation of a modeled street canyon within a weakly to moderately stable atmosphere boundary layer. To better resolve the smaller eddy size resulted from the stable stratification, a higher spatial and temporal resolution is used. The detailed flow structure and turbulence inside the street canyon are analyzed. The relationship of pollutant dispersion and Richardson number of the atmosphere is investigated. Differences between these characteristics and those under neutral and unstable atmosphere boundary layer are emphasized.

  10. Modelling stable atmospheric boundary layers over snow

    NARCIS (Netherlands)

    Sterk, H.A.M.

    2015-01-01

    Thesis entitled:

    Modelling Stable Atmospheric Boundary Layers over Snow

    H.A.M. Sterk

    Wageningen, 29th of April, 2015

    Summary

    The emphasis of this thesis is on the understanding and forecasting of the Stable Boundary Layer (SBL) over snow-covered surfaces. SBLs

  11. Thermodynamics of Minerals Stable Near the Earth's Surface

    International Nuclear Information System (INIS)

    Navrotsky, Alexandra

    2003-01-01

    OAK B262 Research and Education Activities We are working on developing calorimetric techniques for sulfide minerals. We have completed calorimetric studies of (Na, K, H3O) jarosites, of Na and K jarosite -alunite solid solutions, and of Cr6+ - containing jarosites. We are now working on phases containing As and Pb. These studies are important to issues of heavy metal pollution in the environment. A number of postdocs, graduate students, and undergrads have participated in the research. We have active collaboration with Dirk Baron, faculty at California State University, Bakersfield. In a collaboration with Peter Burns, Notre Dame University, we are working on thermochemistry of U6+ minerals. Navrotsky has participated in a number of national workshops that are helping to define the interfaces between nanotechnology and earth/environmental science. Major Findings Our first finding on uranyl minerals shows that studtite, a phase containing structural peroxide ion, is thermodynamically unstable in the absence of a source of aqueous peroxide ion but is thermodynamically stable in contact with a solution containing peroxide concentrations expected for the radiolysis of water in contact with spent nuclear fuel. This work is in press in Science. We have a consistent thermodynamic data set for the (Na, K, H3O) (Al, Fe) jarosite, alunite minerals and for Cr6+ substituting for S6+ in jarosite. The latter phases represent one of the few solid sinks for trapping toxic Cr6+ in groundwater. Contributions within Discipline Better understanding of thermodynamic driving for and constraints on geochemical and environmental processes

  12. A Study of the Surface Structure of Polymorphic Graphene and Other Two-Dimensional Materials for Use in Novel Electronics and Organic Photovoltaics

    Science.gov (United States)

    Grady, Maxwell

    For some time there has been interest in the fundamental physical properties of low- dimensional material systems. The discovery of graphene as a stable two-dimensional form of solid carbon lead to an exponential increase in research in two-dimensional and other re- duced dimensional systems. It is now known that there is a wide range of materials which are stable in two-dimensional form. These materials span a large configuration space of struc- tural, mechanical, and electronic properties, which results in the potential to create novel electronic devices from nano-scale heterostructures with exactly tailored device properties. Understanding the material properties at the nanoscale level requires specialized tools to probe materials with atomic precision. Here I present the growth and analysis of a novel graphene-ruthenium system which exhibits unique polymorphism in its surface structure, hereby referred to as polymorphic graphene. Scanning Tunneling Microscopy (STM) investigations of the polymorphic graphene surface reveal a periodically rippled structure with a vast array of domains, each exhibiting xvia unique moire period. The majority of moire domains found in this polymorphic graphene system are previously unreported in past studies of the structure of graphene on ruthenium. To better understand many of the structural properties of this system, characterization methods beyond those available at the UNH surface science lab are employed. Further investigation using Low Energy Electron Microscopy (LEEM) has been carried out at Sandia National Laboratory's Center for Integrated Nanotechnology and the Brookhaven National Laboratory Center for Functional Nanomaterials. To aid in analysis of the LEEM data, I have developed an open source software package to automate extraction of electron reflectivity curves from real space and reciprocal space data sets. This software has been used in the study of numerous other two-dimensional materials beyond graphene. When

  13. The elastic-plastic failure assessment diagram of surface cracked structure

    International Nuclear Information System (INIS)

    Ning, J.; Gao, Q.

    1987-01-01

    The simplified NLSM is able to calculate the EPFM parameters and failure assessment curve for the surface cracked structure correctly and conveniently. The elastic-plastic failure assessment curve of surface crack is relevant to crack geometry, loading form and material deformation behaviour. It is necessary to construct the EPFM failure assessment curve of the surface crack for the failure assessment of surface cracked structure. (orig./HP)

  14. Basic reactions of osteoblasts on structured material surfaces

    Directory of Open Access Journals (Sweden)

    U. Meyer

    2005-04-01

    Full Text Available In order to assess how bone substitute materials determine bone formation in vivo it is useful to understand the mechanisms of the material surface/tissue interaction on a cellular level. Artificial materials are used in two applications, as biomaterials alone or as a scaffold for osteoblasts in a tissue engineering approach. Recently, many efforts have been undertaken to improve bone regeneration by the use of structured material surfaces. In vitro studies of bone cell responses to artificial materials are the basic tool to determine these interactions. Surface properties of materials surfaces as well as biophysical constraints at the biomaterial surface are of major importance since these features will direct the cell responses. Studies on osteoblast-like cell reactivity towards materials will have to focus on the different steps of protein and cell reactions towards defined surface properties. The introduction of new techniques allows nowadays the fabrication of materials with ordered surface structures. This paper gives a review of present knowledge on the various stages of osteoblast reactions on material surfaces, focused on basic cell events under in vitro conditions. Special emphasis is given to cellular reactions towards ordered nano-sized topographies.

  15. Ab initio study of the adsorption of antimony and arsenic on the Si(110) surface

    Energy Technology Data Exchange (ETDEWEB)

    Huitzil-Tepanecatl, Arely [Postgrado en Fisica Aplicada, Facultad de Ciencias Fisico-Matematicas, BUAP, Apartado Postal 52, Puebla 72000 (Mexico); Cocoletzi, Gregorio H., E-mail: cocoletz@sirio.ifuap.buap.m [Centro de Investigacion Cientifica y de Educacion Superior de Ensenada, Km. 107 Carretera Tijuana-Ensenada, Codigo Postal 22860, Apartado Postal 2732 Ensenada, Baja California (Mexico); Centro de Nanociencia y Nanotecnologia, Universidad Nacional Autonoma de Mexico, Apartado Postal 2681, Ensenada, Baja California, 22800 (Mexico); Instituto de Fisica, Universidad Autonoma de Puebla, Apartado Postal J-48, Puebla 72570 (Mexico); Takeuchi, Noboru [Centro de Nanociencia y Nanotecnologia, Universidad Nacional Autonoma de Mexico, Apartado Postal 2681, Ensenada, Baja California, 22800 (Mexico)

    2010-10-29

    We have performed first principles total energy calculations to investigate the adsorption of Sb and As adatoms on the Si(110) surface using a (2 x 3) supercell. The energetics and atomic structures have been investigated in four atomic configurations. One structure is obtained by placing 1/3 of a monolayer (ML) of Sb (As) atoms on the Si(110) surface. The other three geometries are obtained by depositing 1 ML of Sb (As) atoms on the surface. In the first case the structure is formed by four trimers, in the second case the geometry is formed by zigzag atomic chains and in the third case the structure contains 'microfacets'. The energetics results of the Sb adsorption show that for low coverage the tetrahedrons formed by the adsorption of 1/3 ML is the most stable configuration, while in the monolayer region the zigzag atomic chain is the most stable structure. However, the total energies of the trimer and microfacet structures are slightly higher, indicating that under some conditions, they may be formed. In an experimental report it has been suggested that the adsorption of 1/3 and 1 ML of Sb corresponds to the low and high coverage in the experiments of Zotov et al. [A. V. Zotov, V. G. Lifshifts, and A. N. Demidchik, Surf. Sci. 274, L583 (1992)]. On the other hand, our results of the As adsorption show that for low coverage, the tetrahedrons in the adsorption of 1/3 ML also give the most stable configuration. However, at the 1 ML coverage, a structure formed by microfacets is the most stable structure, in agreement with previous results.

  16. Ab initio study of the adsorption of antimony and arsenic on the Si(110) surface

    International Nuclear Information System (INIS)

    Huitzil-Tepanecatl, Arely; Cocoletzi, Gregorio H.; Takeuchi, Noboru

    2010-01-01

    We have performed first principles total energy calculations to investigate the adsorption of Sb and As adatoms on the Si(110) surface using a (2 x 3) supercell. The energetics and atomic structures have been investigated in four atomic configurations. One structure is obtained by placing 1/3 of a monolayer (ML) of Sb (As) atoms on the Si(110) surface. The other three geometries are obtained by depositing 1 ML of Sb (As) atoms on the surface. In the first case the structure is formed by four trimers, in the second case the geometry is formed by zigzag atomic chains and in the third case the structure contains 'microfacets'. The energetics results of the Sb adsorption show that for low coverage the tetrahedrons formed by the adsorption of 1/3 ML is the most stable configuration, while in the monolayer region the zigzag atomic chain is the most stable structure. However, the total energies of the trimer and microfacet structures are slightly higher, indicating that under some conditions, they may be formed. In an experimental report it has been suggested that the adsorption of 1/3 and 1 ML of Sb corresponds to the low and high coverage in the experiments of Zotov et al. [A. V. Zotov, V. G. Lifshifts, and A. N. Demidchik, Surf. Sci. 274, L583 (1992)]. On the other hand, our results of the As adsorption show that for low coverage, the tetrahedrons in the adsorption of 1/3 ML also give the most stable configuration. However, at the 1 ML coverage, a structure formed by microfacets is the most stable structure, in agreement with previous results.

  17. A Hollow-Structured Manganese Oxide Cathode for Stable Zn-MnO₂ Batteries.

    Science.gov (United States)

    Guo, Xiaotong; Li, Jianming; Jin, Xu; Han, Yehu; Lin, Yue; Lei, Zhanwu; Wang, Shiyang; Qin, Lianjie; Jiao, Shuhong; Cao, Ruiguo

    2018-05-05

    Aqueous rechargeable zinc-manganese dioxide (Zn-MnO₂) batteries are considered as one of the most promising energy storage devices for large scale-energy storage systems due to their low cost, high safety, and environmental friendliness. However, only a few cathode materials have been demonstrated to achieve stable cycling for aqueous rechargeable Zn-MnO₂ batteries. Here, we report a new material consisting of hollow MnO₂ nanospheres, which can be used for aqueous Zn-MnO₂ batteries. The hollow MnO₂ nanospheres can achieve high specific capacity up to ~405 mAh g −1 at 0.5 C. More importantly, the hollow structure of birnessite-type MnO₂ enables long-term cycling stability for the aqueous Zn-MnO₂ batteries. The excellent performance of the hollow MnO₂ nanospheres should be due to their unique structural properties that enable the easy intercalation of zinc ions.

  18. Structural and electronic properties of hydrosilylated silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Baumer, A.

    2005-11-15

    The structural and electronic properties of alkyl-terminated Si surfaces prepared by thermallyinduced hydrosilylation have been studied in detail in the preceding chapters. Various surfaces have been used for the functionalization ranging from crystalline Si over amorphous hydrogenated Si to nanoscaled materials such as Si nanowires and nanoparticles. In each case, the alkyl-terminated surfaces have been compared to the native oxidized and H-terminated surfaces. (orig.)

  19. Selective appearance of several laser-induced periodic surface structure patterns on a metal surface using structural colors produced by femtosecond laser pulses

    Energy Technology Data Exchange (ETDEWEB)

    Yao Jianwu; Zhang Chengyun; Liu Haiying; Dai Qiaofeng; Wu Lijun [Laboratory of Photonic Information Technology, School of Information and Optoelectronic Science and Engineering, South China Normal University, Guangzhou 510006 (China); Lan, Sheng, E-mail: slan@scnu.edu.cn [Laboratory of Photonic Information Technology, School of Information and Optoelectronic Science and Engineering, South China Normal University, Guangzhou 510006 (China); Gopal, Achanta Venu [Department of Condensed Matter Physics and Material Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India); Trofimov, Vyacheslav A.; Lysak, Tatiana M. [Department of Computational Mathematics and Cybernetics, M. V. Lomonosov Moscow State University, Moscow 119992 (Russian Federation)

    2012-07-15

    Ripples with a subwavelength period were induced on the surface of a stainless steel (301 L) foil by femtosecond laser pulses. By optimizing the irradiation fluence of the laser pulses and the scanning speed of the laser beam, ripples with large amplitude ({approx}150 nm) and uniform period could be obtained, rendering vivid structural colors when illuminating the surface with white light. It indicates that these ripples act as a surface grating that diffracts light efficiently. The strong dependence of the ripple orientation on the polarization of laser light offers us the opportunity of decorating different regions of the surface with different types of ripples. As a result, different patterns can be selectively displayed with structural color when white light is irradiated on the surface from different directions. More interestingly, we demonstrated the possibility of decorating the same region with two or more types of ripples with different orientations. In this way, different patterns with spatial overlapping can be selectively displayed with structural color. This technique may find applications in the fields of anti-counterfeiting, color display, decoration, encryption and optical data storage.

  20. The electrochemical behavior and surface structure of titanium electrodes modified by ion beams

    International Nuclear Information System (INIS)

    Huang, G.F.; Xie, Z.; Huang, W.Q.; Yang, S.B.; Zhao, L.H.

    2004-01-01

    Industrial grade titanium modified by ion implantation and sputtering was used as electrodes. The effect of ion beam modification on the electrochemical behavior and surface structure of electrodes was investigated. Also discussed is the hydrogen evolution process of the electrode in acidic solution. Several ions such as Fe + , C + , W + , Ni + and others, were implanted into the electrode. The electrochemical tests were carried out in 1N H 2 SO 4 solution at 30±1 deg. C. The electrode potential was measured versus a saturate calomel electrode as a function of immersion time. The cathodic polarization curves were measured by the stable potential static method. The surface layer composition and the chemical state of the electrodes were also investigated by Auger electron spectrometer (AES) and X-ray photoelectron spectroscopy (XPS) technique. The results show that: (1) the stability of modified electrodes depends on the active elements introduced by ion implantation and sputtering deposition. (2) The hydrogen evolution activity of industrial grade titanium may be improved greatly by ion beam modification. (3) Ion beam modification changed the composition and the surface state of electrodes over a certain depth range and forms an activity layer having catalytic hydrogen evolution, which inhibited the absorption of hydrogen and formation of titanium hydride. Thus promoted hydrogen evolution and improved the hydrogen evolution catalytic activity in industrial grade titanium

  1. Structured light optical microscopy for three-dimensional reconstruction of technical surfaces

    Science.gov (United States)

    Kettel, Johannes; Reinecke, Holger; Müller, Claas

    2016-04-01

    In microsystems technology quality control of micro structured surfaces with different surface properties is playing an ever more important role. The process of quality control incorporates three-dimensional (3D) reconstruction of specularand diffusive reflecting technical surfaces. Due to the demand on high measurement accuracy and data acquisition rates, structured light optical microscopy has become a valuable solution to solve this problem providing high vertical and lateral resolution. However, 3D reconstruction of specular reflecting technical surfaces still remains a challenge to optical measurement principles. In this paper we present a measurement principle based on structured light optical microscopy which enables 3D reconstruction of specular- and diffusive reflecting technical surfaces. It is realized using two light paths of a stereo microscope equipped with different magnification levels. The right optical path of the stereo microscope is used to project structured light onto the object surface. The left optical path is used to capture the structured illuminated object surface with a camera. Structured light patterns are generated by a Digital Light Processing (DLP) device in combination with a high power Light Emitting Diode (LED). Structured light patterns are realized as a matrix of discrete light spots to illuminate defined areas on the object surface. The introduced measurement principle is based on multiple and parallel processed point measurements. Analysis of the measured Point Spread Function (PSF) by pattern recognition and model fitting algorithms enables the precise calculation of 3D coordinates. Using exemplary technical surfaces we demonstrate the successful application of our measurement principle.

  2. Surface half-metallicity and stability of zinc-blende sodium monoselenide

    International Nuclear Information System (INIS)

    Tabatabaeifar, A.; Davatolhagh, S.; Moradi, M.

    2017-01-01

    Highlights: • Density functional study reveals. • Robust half-metallicity of zinc-blende NaSe (001) surfaces. • Stable against phase separation as indicated by negative formation energy. • Magnetically stable at room temperature because of high Curie temperature. • Surfaces are stable as indicated by low surface energies. • Therefore, zinc-blende NaSe promising candidate as spin injection material. - Abstract: The electronic structure and magnetic properties of relaxed (001) surfaces of the sp-electron half-metallic ferromagnet NaSe in the zinc-blende phase, are calculated on the basis of first principle density functional theory within the framework of self-consistent field plane wave pseudo-potential method, using the generalized gradient approximation for the exchange-correlation functional. The results of this study reveal that both Na- and Se-terminated surfaces retain the robust bulk half-metallic property. The negative value found for the bulk formation energy indicates that this material is stable against phase separation. We also obtain the surface energies and discuss their stability via the calculated bulk formation energy. The Curie temperature is estimated to be 920 K within mean field approximation, which is well above the room temperature. In the light of the above, zinc-blende NaSe appears to be a good candidate for spintronic applications as spin injection material.

  3. Self-consistent electronic structure of the contracted tungsten (001) surface

    International Nuclear Information System (INIS)

    Posternak, M.; Krakauer, H.; Freeman, A.J.

    1982-01-01

    Self-consistent linearized-augmented-plane-wave energy-band studies using the warped muffin-tin approximation for a seven-layer W(001) single slab with the surface-layer separation contracted by 6% of the bulk interlayer spacing are reported. Surface electronic structure, local densities of states, generalized susceptibility for the surface, work function, and core-level shifts are found to have insignificant differences with corresponding results for the unrelaxed surface. Several differences in surface states between theory and recent angle-resolved photoemission experiments are discussed in the light of new proposed models of the actual unreconstructed surface structure at high temperatures

  4. A Fundamental Approach to Developing Aluminium based Bulk Amorphous Alloys based on Stable Liquid Metal Structures and Electronic Equilibrium - 154041

    Science.gov (United States)

    2017-03-28

    AFRL-AFOSR-JP-TR-2017-0027 A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal Structures and...to 16 Dec 2016 4.  TITLE AND SUBTITLE A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal...Air Force Research Laboratory for accurately predicting compositions of new amorphous alloys specifically based on aluminium with properties superior

  5. Surface and interface electronic structure: Three year activity report

    International Nuclear Information System (INIS)

    Kevan, S.D.

    1992-01-01

    The 3-year activity report covers surface structure and phonon anomalies (surface reconstruction on W(001) and Mo(001), adsorbate lateral ordering, surface Fermi contours and phonon anomalies on Pt(111) and Pd(001)), adsorbate vibrational damping, charge transfer in momentum space: W(011)-K, surface states and resonances (relativistic effects ampersand computations, surface resonances)

  6. Observation of ferromagnetic ordering in a stable α -Co (OH) 2 phase grown on a Mo S2 surface

    Science.gov (United States)

    Debnath, Anup; Bhattacharya, Shatabda; Saha, Shyamal K.

    2017-12-01

    Because of the potential application of Co (OH) 2 in a magnetic cooling system as a result of its superior magnetocaloric effect many people have investigated magnetic properties of Co (OH) 2 . Unfortunately, most of the works have been carried out on the β -Co (OH) 2 phase due to the fact that the α -Co (OH) 2 phase is very unstable and continuously transformed into the stable β -Co (OH) 2 phase. However, in the present work, using a Mo S2 sheet as a two-dimensional template, we have been able to synthesize a stable α -Co (OH) 2 phase in addition to a β -Co (OH) 2 phase by varying the layer thickness. It is seen that for thinner samples the β phase, while for thicker samples α phase, is grown on the Mo S2 surface. Magnetic measurements are carried out for the samples over the temperature range from 2 to 300 K and it is seen that for the β phase, ferromagnetic ordering with fairly large coercivity (1271 Oe) at 2 K is obtained instead of the usual antiferromagnetism. The most interesting result is the observation of ferromagnetic ordering with a transition temperature (Curie temperature) more than 100 K in the α -Co (OH) 2 phase. Complete saturation in the hysteresis curve under application of very low field having coercivity of ˜162 Oe at 2 K and 60 Oe at 50 K is obtained. A thin stable α -Co (OH) 2 phase grown on Mo S2 surface with very soft ferromagnetic ordering will be very useful as the core material in electromagnets.

  7. Characterization of Boroaluminosilicate Glass Surface Structures by B k-edge NEXAFS

    Energy Technology Data Exchange (ETDEWEB)

    R Schaut; R Lobello; K Mueller; C Pantano

    2011-12-31

    Techniques traditionally used to characterize bulk glass structure (NMR, IR, etc.) have improved significantly, but none provide direct measurement of local atomic coordination of glass surface species. Here, we used Near-Edge X-ray Absorption Fine Structure (NEXAFS) as a direct measure of atomic structure at multicomponent glass surfaces. Focusing on the local chemical structure of boron, we address technique-related issues of calibration, quantification, and interactions of the beam with the material. We demonstrate that beam-induced adsorption and structural damage can occur within the timeframe of typical measurements. The technique is then applied to the study of various fracture surfaces where it is shown that adsorption and reaction of water with boroaluminosilicate glass surfaces induces structural changes in the local coordination of boron, favoring B{sup IV} species after reaction.

  8. Atomic Scale Structure-Chemistry Relationships at Oxide Catalyst Surfaces and Interfaces

    Science.gov (United States)

    McBriarty, Martin E.

    Oxide catalysts are integral to chemical production, fuel refining, and the removal of environmental pollutants. However, the atomic-scale phenomena which lead to the useful reactive properties of catalyst materials are not sufficiently understood. In this work, the tools of surface and interface science and electronic structure theory are applied to investigate the structure and chemical properties of catalytically active particles and ultrathin films supported on oxide single crystals. These studies focus on structure-property relationships in vanadium oxide, tungsten oxide, and mixed V-W oxides on the surfaces of alpha-Al2O3 and alpha-Fe2O 3 (0001)-oriented single crystal substrates, two materials with nearly identical crystal structures but drastically different chemical properties. In situ synchrotron X-ray standing wave (XSW) measurements are sensitive to changes in the atomic-scale geometry of single crystal model catalyst surfaces through chemical reaction cycles, while X-ray photoelectron spectroscopy (XPS) reveals corresponding chemical changes. Experimental results agree with theoretical calculations of surface structures, allowing for detailed electronic structure investigations and predictions of surface chemical phenomena. The surface configurations and oxidation states of V and W are found to depend on the coverage of each, and reversible structural shifts accompany chemical state changes through reduction-oxidation cycles. Substrate-dependent effects suggest how the choice of oxide support material may affect catalytic behavior. Additionally, the structure and chemistry of W deposited on alpha-Fe 2O3 nanopowders is studied using X-ray absorption fine structure (XAFS) measurements in an attempt to bridge single crystal surface studies with real catalysts. These investigations of catalytically active material surfaces can inform the rational design of new catalysts for more efficient and sustainable chemistry.

  9. Bionic Duplication of Fresh Navodon septentrionalis Fish Surface Structures

    Directory of Open Access Journals (Sweden)

    Bing Qu

    2011-01-01

    Full Text Available Biomimetic superhydrophobic surface was fabricated by replicating topography of the fresh fish skin surface of Navodon septentrionalis with polydimethylsiloxane (PDMS elastomer. A two-step replicating method was developed to make the surface structure of the fresh fish skin be replicated with high fidelity. After duplication, it was found that the static contact angle of the replica was as large as 173°. Theoretic analysis based on Young's and Cassie-Baxter (C-B model was performed to explain the relationship between structure and hydrophobicity.

  10. Solving complex and disordered surface structures with electron diffraction

    International Nuclear Information System (INIS)

    Van Hove, M.A.

    1987-10-01

    The past of surface structure determination with low-energy electron diffraction (LEED) will be briefly reviewed, setting the stage for a discussion of recent and future developments. The aim of these developments is to solve complex and disordered surface structures. Some efficient solutions to the theoretical and experimental problems will be presented. Since the theoretical problems dominate, the emphasis will be on theoretical approaches to the calculation of the multiple scattering of electrons through complex and disordered surfaces. 49 refs., 13 figs., 1 tab

  11. Tunable nano-wrinkling of chiral surfaces: Structure and diffraction optics

    International Nuclear Information System (INIS)

    Rofouie, P.; Rey, A. D.; Pasini, D.

    2015-01-01

    Periodic surface nano-wrinkling is found throughout biological liquid crystalline materials, such as collagen films, spider silk gland ducts, exoskeleton of beetles, and flower petals. These surface ultrastructures are responsible for structural colors observed in some beetles and plants that can dynamically respond to external conditions, such as humidity and temperature. In this paper, the formation of the surface undulations is investigated through the interaction of anisotropic interfacial tension, swelling through hydration, and capillarity at free surfaces. Focusing on the cellulosic cholesteric liquid crystal (CCLC) material model, the generalized shape equation for anisotropic interfaces using the Cahn-Hoffman capillarity vector and the Rapini-Papoular anchoring energy are applied to analyze periodic nano-wrinkling in plant-based plywood free surfaces with water-induced cholesteric pitch gradients. Scaling is used to derive the explicit relations between the undulations’ amplitude expressed as a function of the anchoring strength and the spatially varying pitch. The optical responses of the periodic nano-structured surfaces are studied through finite difference time domain simulations indicating that CCLC surfaces with spatially varying pitch reflect light in a wavelength higher than that of a CCLC’s surface with constant pitch. This structural color change is controlled by the pitch gradient through hydration. All these findings provide a foundation to understand structural color phenomena in nature and for the design of optical sensor devices

  12. Tunable nano-wrinkling of chiral surfaces: Structure and diffraction optics

    Energy Technology Data Exchange (ETDEWEB)

    Rofouie, P.; Rey, A. D., E-mail: alejandro.rey@mail.mcgill.ca [Department of Chemical Engineering, McGill University, 3610 University Street, Montreal, Quebec H3A 2B2 (Canada); Pasini, D. [Department of Mechanical Engineering, McGill University, 817 Sherbrook West, Montreal, Quebec H3A 0C3 (Canada)

    2015-09-21

    Periodic surface nano-wrinkling is found throughout biological liquid crystalline materials, such as collagen films, spider silk gland ducts, exoskeleton of beetles, and flower petals. These surface ultrastructures are responsible for structural colors observed in some beetles and plants that can dynamically respond to external conditions, such as humidity and temperature. In this paper, the formation of the surface undulations is investigated through the interaction of anisotropic interfacial tension, swelling through hydration, and capillarity at free surfaces. Focusing on the cellulosic cholesteric liquid crystal (CCLC) material model, the generalized shape equation for anisotropic interfaces using the Cahn-Hoffman capillarity vector and the Rapini-Papoular anchoring energy are applied to analyze periodic nano-wrinkling in plant-based plywood free surfaces with water-induced cholesteric pitch gradients. Scaling is used to derive the explicit relations between the undulations’ amplitude expressed as a function of the anchoring strength and the spatially varying pitch. The optical responses of the periodic nano-structured surfaces are studied through finite difference time domain simulations indicating that CCLC surfaces with spatially varying pitch reflect light in a wavelength higher than that of a CCLC’s surface with constant pitch. This structural color change is controlled by the pitch gradient through hydration. All these findings provide a foundation to understand structural color phenomena in nature and for the design of optical sensor devices.

  13. Fabrication of long-term stable superoleophobic surface based on copper oxide/cobalt oxide with micro-nanoscale hierarchical roughness

    Science.gov (United States)

    Barthwal, Sumit; Lim, Si-Hyung

    2015-02-01

    We have demonstrated a simple and cost-effective technique for the large-area fabrication of a superoleophobic surface using copper as a substrate. The whole process included three simple steps: First, the copper substrate was oxidized under hot alkaline conditions to fabricate flower-like copper oxide microspheres by heating at a particular temperature for an interval of time. Second, the copper-oxide-covered copper substrate was further heated in a solution of cobalt nitrate and ammonium nitrate in the presence of an ammonia solution to fabricate cobalt oxide nanostructures. We applied this second step to increase the surface roughness because it is an important criterion for improved superoleophobicity. Finally, to reduce the surface energy of the fabricated structures, the surfaces were chemically modified with perfluorooctyltrichlorosilane. Contact-angle measurements indicate that the micro-nano binary (MNB) hierarchical structures fabricated on the copper substrate became super-repellent toward a broad range of liquids with surface tension in the range of 21.5-72 mN/m. In an attempt to significantly improve the superoleophobic property of the surface, we also examined and compared the role of nanostructures in MNB hierarchical structures with only micro-fabricated surfaces. The fabricated MNB hierarchical structures also displays thermal stability and excellent long-term stability after exposure in air for more than 9 months. Our method might provide a general route toward the preparation of novel hierarchical films on metal substrates for various industrial applications.

  14. Fabrication of stable and durable superhydrophobic surface on copper substrates for oil-water separation and ice-over delay.

    Science.gov (United States)

    Guo, Jie; Yang, Fuchao; Guo, Zhiguang

    2016-03-15

    We report a simple and rapid method to fabricate superhydrophobic films on copper substrates via Fe(3+) etching and octadecanethiol (ODT) modification. The etching process can be as short as 5 min and the ODT treatment only takes several seconds. In addition, the whole process is quite flexible in reaction time. The superhydrophobicity of as-prepared surfaces is mechanically durable and chemically stable, which have great performance in oil-water separation and ice-over resistance. Copyright © 2015 Elsevier Inc. All rights reserved.

  15. Bio-Inspired Functional Surfaces Based on Laser-Induced Periodic Surface Structures.

    Science.gov (United States)

    Müller, Frank A; Kunz, Clemens; Gräf, Stephan

    2016-06-15

    Nature developed numerous solutions to solve various technical problems related to material surfaces by combining the physico-chemical properties of a material with periodically aligned micro/nanostructures in a sophisticated manner. The utilization of ultra-short pulsed lasers allows mimicking numerous of these features by generating laser-induced periodic surface structures (LIPSS). In this review paper, we describe the physical background of LIPSS generation as well as the physical principles of surface related phenomena like wettability, reflectivity, and friction. Then we introduce several biological examples including e.g., lotus leafs, springtails, dessert beetles, moth eyes, butterfly wings, weevils, sharks, pangolins, and snakes to illustrate how nature solves technical problems, and we give a comprehensive overview of recent achievements related to the utilization of LIPSS to generate superhydrophobic, anti-reflective, colored, and drag resistant surfaces. Finally, we conclude with some future developments and perspectives related to forthcoming applications of LIPSS-based surfaces.

  16. Electronic structures near surfaces of perovskite type oxides

    International Nuclear Information System (INIS)

    Hara, Toru

    2005-01-01

    This work is intended to draw attention to the origin of the electronic structures near surfaces of perovskite type oxides. Deep states were observed by ultraviolet photoelectron spectroscopic measurements. The film thickness dependent electronic structures near surfaces of (Ba 0.5 Sr 0.5 )TiO 3 thin films were observed. As for the 117-308 nm thick (Ba 0.5 Sr 0.5 )TiO 3 films, deep states were lying at 0.20, 0.55, and 0.85 eV below the quasi-fermi level, respectively. However, as for the 40 nm thick (Ba 0.5 Sr 0.5 )TiO 3 film, the states were overlapped. The A-site doping affected electronic structures near surfaces of SrTiO 3 single crystals. No evolution of deep states in non-doped SrTiO 3 single crystal was observed. However, the evolution of deep states in La-doped SrTiO 3 single crystal was observed

  17. The unusual properties of beryllium surfaces

    International Nuclear Information System (INIS)

    Stumpf, R.; Hannon, J.B.

    1994-01-01

    Be is a ''marginal metal.'' The stable phase, hcp-Be, has a low Fermi-level density of states and very anisotropic structural and elastic properties, similar to a semiconductor's. At the Be(0001) surface, surface states drastically increase the Fermi-level density of states. The different nature of bonding in bulk-Be and at the Be(0001) surface explains the large outward relaxation. The presence of surface states causes large surface core-level shifts by inducing a higher electrostatic potential in the surface layers and by improving the screening at the surface. The authors experimental and theoretical investigations of atomic vibrations at the Be(0001) surface demonstrate clearly that Be screening of atomic motion by the surface states makes the surface phonon dispersion fundamentally different from that of the bulk. Properties of Be(0001) are so different from those of the bulk that the surface can be considered a new ''phase'' of beryllium with unique electronic and structural characteristics. For comparison they also study Be(11 bar 20), a very open surface without important surface states. Be(11 bar 20) is the only clean s-p metal surface known to reconstruct (1 x 3 missing row reconstruction)

  18. Rapid and high throughput fabrication of high temperature stable structures through PDMS transfer printing

    Science.gov (United States)

    Hohenberger, Erik; Freitag, Nathan; Korampally, Venumadhav

    2017-07-01

    We report on a facile and low cost fabrication approach for structures—gratings and enclosed nanochannels, through simple solution processed chemistries in conjunction with nanotransfer printing techniques. The ink formulation primarily consisting of an organosilicate polymeric network with a small percentage of added 3-aminopropyl triethoxysilane crosslinker allows one to obtain robust structures that are not only stable towards high temperature processing steps as high as 550 °C but also exhibit exceptional stability against a host of organic solvent washes. No discernable structure distortion was observed compared to the as-printed structures (room temperature processed) when printed structures were subjected to temperatures as high as 550 °C. We further demonstrate the applicability of this technique towards the fabrication of more complex nanostructures such as enclosed channels through a double transfer method, leveraging the exceptional room temperature cross-linking ability of the printed structures and their subsequent resistance to dissolution in organic solvent washes. The exceptional temperature and physico-chemical stability of the nanotransfer printed structures makes this a useful fabrication tool that may be applied as is, or integrated with conventional lithographic techniques for the large area fabrication of functional nanostructures and devices.

  19. Some structural aspects of language are more stable than others: a comparison of seven methods.

    Directory of Open Access Journals (Sweden)

    Dan Dediu

    Full Text Available Understanding the patterns and causes of differential structural stability is an area of major interest for the study of language change and evolution. It is still debated whether structural features have intrinsic stabilities across language families and geographic areas, or if the processes governing their rate of change are completely dependent upon the specific context of a given language or language family. We conducted an extensive literature review and selected seven different approaches to conceptualising and estimating the stability of structural linguistic features, aiming at comparing them using the same dataset, the World Atlas of Language Structures. We found that, despite profound conceptual and empirical differences between these methods, they tend to agree in classifying some structural linguistic features as being more stable than others. This suggests that there are intrinsic properties of such structural features influencing their stability across methods, language families and geographic areas. This finding is a major step towards understanding the nature of structural linguistic features and their interaction with idiosyncratic, lineage- and area-specific factors during language change and evolution.

  20. Enthalpy and high temperature relaxation kinetics of stable vapor-deposited glasses of toluene

    International Nuclear Information System (INIS)

    Bhattacharya, Deepanjan; Sadtchenko, Vlad

    2014-01-01

    Stable non-crystalline toluene films of micrometer and nanometer thicknesses were grown by vapor deposition at distinct rates and probed by fast scanning calorimetry. Fast scanning calorimetry is shown to be extremely sensitive to the structure of the vapor-deposited phase and was used to characterize simultaneously its kinetic stability and its thermodynamic properties. According to our analysis, transformation of vapor-deposited samples of toluene during heating with rates in excess 10 5 K s −1 follows the zero-order kinetics. The transformation rate correlates strongly with the initial enthalpy of the sample, which increases with the deposition rate according to sub-linear law. Analysis of the transformation kinetics of vapor-deposited toluene films of various thicknesses reveal a sudden increase in the transformation rate for films thinner than 250 nm. The change in kinetics seems to correlate with the surface roughness scale of the substrate. The implications of these findings for the formation mechanism and structure of vapor-deposited stable glasses are discussed

  1. Synthesis of anti-aggregation silver nanoparticles based on inositol hexakisphosphoric micelles for a stable surface enhanced Raman scattering substrate

    International Nuclear Information System (INIS)

    Wang Na; Yang Haifeng; Zhu Xuan; Zhang Rui; Wang Yao; Huang Guanfeng; Zhang Zongrang

    2009-01-01

    We report a novel method of synthesizing a kind of silver nanoparticles aided by the inositol hexakisphosphoric micelle as a soft template and stabilizer. By controlling the reaction time, UV-vis and TEM observations of the size growth of the nanoparticles are performed. Careful examinations of surface enhanced Raman scattering (SERS) spectra of 2-mercaptopyridine (2-Mpy) on the as-produced silver nanoparticles exhibit very stable and reproducible Raman signals within about 4 months.

  2. Structure sensitivity of CO dissociation on Rh surfaces

    DEFF Research Database (Denmark)

    Mavrikakis, Manos; Baumer, M.; Freund, H.J.

    2002-01-01

    than the flat surface, but the effect is considerably weaker than the effect of surface structure on the dissociation barrier. Our findings are compared with available experimental data, and the consequences for CO activation in methanation and Fischer-Tropsch reactions are discussed.......Using periodic self-consistent density functional calculations it is shown that the barrier for CO dissociation is similar to120 kJ/mol lower on the stepped Rh(211) surface than on the close-packed Rh(111) surface. The stepped surface binds molecular CO and the dissociation products more strongly...

  3. CFD simulation of rotor aerodynamic performance when using additional surface structure array

    Science.gov (United States)

    Wang, Bing; Kong, Deyi

    2017-10-01

    The present work analyses the aerodynamic performance of the rotor with additional surface structure array in an attempt to maximize its performance in hover flight. The unstructured grids and the Reynolds Average Navier-Stokes equations were used to calculate the performance of the prototype rotor and the rotor with additional surface structure array in the air. The computational fluid dynamics software FLUENT was used to simulate the thrust of the rotors. The results of the calculations are in reasonable agreement with experimental data, which shows that the calculation model used in this work is useful in simulating the performance of the rotor with additional surface structure array. With this theoretical calculation model, the thrusts of the rotors with arrays of surface structure in three different shapes were calculated. According to the simulation results and the experimental data, the rotor with triangle surface structure array has better aerodynamic performance than the other rotors. In contrast with the prototype rotor, the thrust of the rotor with triangle surface structure array increases by 5.2% at the operating rotating speed of 3000r/min, and the additional triangle surface structure array has almost no influence on the efficiency of the rotor.

  4. Thermodynamics and structure of liquid surfaces investigated directly with surface analytical tools

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Gunther [Flinders Univ., Adelaide, SA (Australia). Centre for NanoScale Science and Technology; Morgner, Harald [Leipzig Univ. (Germany). Wilhelm Ostwald Inst. for Physical and Theoretical Chemistry

    2017-06-15

    Measuring directly the composition, the distribution of constituents as function of the depth and the orientation of molecules at liquid surfaces is essential for determining physicochemical properties of liquid surfaces. While the experimental tools that have been developed for analyzing solid surfaces can in principal be applied to liquid surfaces, it turned out that they had to be adjusted to the particular challenges imposed by liquid samples, e.g. by the unavoidable vapor pressure and by the mobility of the constituting atoms/molecules. In the present work it is shown, how electron spectroscopy and ion scattering spectroscopy have been used for analyzing liquid surfaces. The emphasis of this review is on using the structural information gained for determining the physicochemical properties of liquid surfaces. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Mapping Precipitation Patterns from the Stable Isotopic Composition of Surface Waters: Olympic Peninsula, Washington State

    Science.gov (United States)

    Anders, A. M.; Brandon, M. T.

    2008-12-01

    Available data indicate that large and persistent precipitation gradients are tied to topography at scales down to a few kilometers, but precipitation patterns in the majority of mountain ranges are poorly constrained at scales less than tens of kilometers. A lack of knowledge of precipitation patterns hampers efforts to understand the processes of orographic precipitation and identify the relationships between geomorphic evolution and climate. A new method for mapping precipitation using the stable isotopic composition of surface waters is tested in the Olympic Mountains of Washington State. Measured δD and δ18O of 97 samples of surface water are linearly related and nearly inseparable from the global meteoric water line. A linear orographic precipitation model extended to include in effects of isotopic fractionation via Rayleigh distillation predicts precipitation patterns and isotopic composition of surface water. Seven parameters relating to the climate and isotopic composition of source water are used. A constrained random search identifies the best-fitting parameter set. Confidence intervals for parameter values are defined and precipitation patterns are determined. Average errors for the best-fitting model are 4.8 permil in δD. The difference between the best fitting model and other models within the 95% confidence interval was less than 20%. An independent high-resolution precipitation climatology documents precipitation gradients similar in shape and magnitude to the model derived from surface water isotopic composition. This technique could be extended to other mountain ranges, providing an economical and fast assessment of precipitation patterns requiring minimal field work.

  6. The structure of mAG, a monomeric mutant of the green fluorescent protein Azami-Green, reveals the structural basis of its stable green emission

    International Nuclear Information System (INIS)

    Ebisawa, Tatsuki; Yamamura, Akihiro; Kameda, Yasuhiro; Hayakawa, Kou; Nagata, Koji; Tanokura, Masaru

    2010-01-01

    The crystal structure of a monomeric mutant of Azami-Green (mAG) from G. fascicularis was determined at 2.2 Å resolution. Monomeric Azami-Green (mAG) from the stony coral Galaxea fascicularis is the first known monomeric green-emitting fluorescent protein that is not a variant of Aequorea victoria green fluorescent protein (avGFP). These two green fluorescent proteins are only 27% identical in their amino-acid sequences. mAG is more similar in its amino-acid sequence to four fluorescent proteins: Dendra2 (a green-to-red irreversibly photoconverting fluorescent protein), Dronpa (a bright-and-dark reversibly photoswitchable fluorescent protein), KikG (a tetrameric green-emitting fluorescent protein) and Kaede (another green-to-red irreversibly photoconverting fluorescent protein). To reveal the structural basis of stable green emission by mAG, the 2.2 Å crystal structure of mAG has been determined and compared with the crystal structures of avGFP, Dronpa, Dendra2, Kaede and KikG. The structural comparison revealed that the chromophore formed by Gln62-Tyr63-Gly64 (QYG) and the fixing of the conformation of the imidazole ring of His193 by hydrogen bonds and van der Waals contacts involving His193, Arg66 and Thr69 are likely to be required for the stable green emission of mAG. The crystal structure of mAG will contribute to the design and development of new monomeric fluorescent proteins with faster maturation, brighter fluorescence, improved photostability, new colours and other preferable properties as alternatives to avGFP and its variants

  7. Tukey max-stable processes for spatial extremes

    KAUST Repository

    Xu, Ganggang; Genton, Marc G.

    2016-01-01

    We propose a new type of max-stable process that we call the Tukey max-stable process for spatial extremes. It brings additional flexibility to modeling dependence structures among spatial extremes. The statistical properties of the Tukey max

  8. Bio-Inspired Functional Surfaces Based on Laser-Induced Periodic Surface Structures

    Directory of Open Access Journals (Sweden)

    Frank A. Müller

    2016-06-01

    Full Text Available Nature developed numerous solutions to solve various technical problems related to material surfaces by combining the physico-chemical properties of a material with periodically aligned micro/nanostructures in a sophisticated manner. The utilization of ultra-short pulsed lasers allows mimicking numerous of these features by generating laser-induced periodic surface structures (LIPSS. In this review paper, we describe the physical background of LIPSS generation as well as the physical principles of surface related phenomena like wettability, reflectivity, and friction. Then we introduce several biological examples including e.g., lotus leafs, springtails, dessert beetles, moth eyes, butterfly wings, weevils, sharks, pangolins, and snakes to illustrate how nature solves technical problems, and we give a comprehensive overview of recent achievements related to the utilization of LIPSS to generate superhydrophobic, anti-reflective, colored, and drag resistant surfaces. Finally, we conclude with some future developments and perspectives related to forthcoming applications of LIPSS-based surfaces.

  9. Effect of surface structure on catalytic reactions: A sum frequency generation surface vibrational spectroscopy study

    International Nuclear Information System (INIS)

    McCrea, Keith R.

    2001-01-01

    In the results discussed above, it is clear that Sum Frequency Generation (SFG) is a unique tool that allows the detection of vibrational spectra of adsorbed molecules present on single crystal surfaces under catalytic reaction conditions. Not only is it possible to detect active surface intermediates, it is also possible to detect spectator species which are not responsible for the measured turnover rates. By correlating high-pressure SFG spectra under reaction conditions and gas chromatography (GC) kinetic data, it is possible to determine which species are important under reaction intermediates. Because of the flexibility of this technique for studying surface intermediates, it is possible to determine how the structures of single crystal surfaces affect the observed rates of catalytic reactions. As an example of a structure insensitive reaction, ethylene hydrogenation was explored on both Pt(111) and Pt(100). The rates were determined to be essentially the same. It was observed that both ethylidyne and di-(sigma) bonded ethylene were present on the surface under reaction conditions on both crystals, although in different concentrations. This result shows that these two species are not responsible for the measured turnover rate, as it would be expected that one of the two crystals would be more active than the other, since the concentration of the surface intermediate would be different on the two crystals. The most likely active intermediates are weakly adsorbed molecules such as(pi)-bonded ethylene and ethyl. These species are not easily detected because their concentration lies at the detection limit of SFG. The SFG spectra and GC data essentially show that ethylene hydrogenation is structure insensitive for Pt(111) and Pt(100). SFG has proven to be a unique and excellent technique for studying adsorbed species on single crystal surfaces under high-pressure catalytic reactions. Coupled with kinetic data obtained from gas chromatography measurements, it can

  10. Fabrication and condensation characteristics of metallic superhydrophobic surface with hierarchical micro-nano structures

    Science.gov (United States)

    Chu, Fuqiang; Wu, Xiaomin

    2016-05-01

    Metallic superhydrophobic surfaces have various applications in aerospace, refrigeration and other engineering fields due to their excellent water repellent characteristics. This study considers a simple but widely applicable fabrication method using a two simultaneous chemical reactions method to prepare the acid-salt mixed solutions to process the metal surfaces with surface deposition and surface etching to construct hierarchical micro-nano structures on the surface and then modify the surface with low surface-energy materials. Al-based and Cu-based superhydrophobic surfaces were fabricated using this method. The Al-based superhydrophobic surface had a water contact angle of 164° with hierarchical micro-nano structures similar to the lotus leaves. The Cu-based surface had a water contact angle of 157° with moss-like hierarchical micro-nano structures. Droplet condensation experiments were also performed on these two superhydrophobic surfaces to investigate their condensation characteristics. The results show that the Al-based superhydrophobic surface has lower droplet density, higher droplet jumping probability, slower droplet growth rate and lower surface coverage due to the more structured hierarchical structures.

  11. Stable confinement of toroidal electron plasma in an internal conductor device Prototype-Ring Trap

    International Nuclear Information System (INIS)

    Saitoh, H.; Yoshida, Z.; Watanabe, S.

    2005-01-01

    A pure electron plasma has been produced in an internal conductor device Prototype-Ring Trap (Proto-RT). The temporal evolution of the electron plasma was investigated by the measurement of electrostatic fluctuations. Stable confinement was realized when the potential profile adjusted to match the magnetic surfaces. The confinement time varies as a function of the magnetic field strength and the neutral gas pressure, and is comparable to the diffusion time of electrons determined by the classical collisions with neutral gas. Although the addition of a toroidal magnetic field stabilized the electrostatic fluctuation of the plasma, the effects of the magnetic shear shortened the stable confinement time, possibly because of the obstacles of coil support structures

  12. Stable structural color patterns displayed on transparent insect wings.

    Science.gov (United States)

    Shevtsova, Ekaterina; Hansson, Christer; Janzen, Daniel H; Kjærandsen, Jostein

    2011-01-11

    Color patterns play central roles in the behavior of insects, and are important traits for taxonomic studies. Here we report striking and stable structural color patterns--wing interference patterns (WIPs)--in the transparent wings of small Hymenoptera and Diptera, patterns that have been largely overlooked by biologists. These extremely thin wings reflect vivid color patterns caused by thin film interference. The visibility of these patterns is affected by the way the insects display their wings against various backgrounds with different light properties. The specific color sequence displayed lacks pure red and matches the color vision of most insects, strongly suggesting that the biological significance of WIPs lies in visual signaling. Taxon-specific color patterns are formed by uneven membrane thickness, pigmentation, venation, and hair placement. The optically refracted pattern is also stabilized by microstructures of the wing such as membrane corrugations and spherical cell structures that reinforce the pattern and make it essentially noniridescent over a large range of light incidences. WIPs can be applied to map the micromorphology of wings through direct observation and are useful in several fields of biology. We demonstrate their usefulness as identification patterns to solve cases of cryptic species complexes in tiny parasitic wasps, and indicate their potentials for research on the genetic control of wing development through direct links between the transregulatory wing landscape and interference patterns we observe in Drosophila model species. Some species display sexually dimorphic WIPs, suggesting sexual selection as one of the driving forces for their evolution.

  13. Temperature-dependent surface structure, composition, and electronic properties of the clean SrTiO3(111) crystal face: Low-energy-electron diffraction, Auger-electron spectroscopy, electron energy loss, and ultraviolet-photoelectron spectroscopy studies

    International Nuclear Information System (INIS)

    Lo, W.J.; Somorjai, G.A.

    1978-01-01

    Low-energy-electron diffraction, Auger-electron spectroscopy, electron-energy-loss, and ultraviolet-photoelectron spectroscopies were used to study the structure, composition, and electron energy distribution of a clean single-crystal (111) face of strontium titanate (perovskite). The dependence of the surface chemical composition on the temperature has been observed along with corresponding changes in the surface electronic properties. High-temperature Ar-ion bombardment causes an irreversible change in the surface structure, stoichiometry, and electron energy distribution. In contrast to the TiO 2 surface, there are always significant concentrations of Ti 3+ in an annealed ordered SrTiO 3 (111) surface. This stable active Ti 3+ monolayer on top of a substrate with large surface dipole potential makes SrTiO 3 superior to TiO 2 when used as a photoanode in the photoelectrochemical cell

  14. Porous silicon structures with high surface area/specific pore size

    Science.gov (United States)

    Northrup, M.A.; Yu, C.M.; Raley, N.F.

    1999-03-16

    Fabrication and use of porous silicon structures to increase surface area of heated reaction chambers, electrophoresis devices, and thermopneumatic sensor-actuators, chemical preconcentrates, and filtering or control flow devices. In particular, such high surface area or specific pore size porous silicon structures will be useful in significantly augmenting the adsorption, vaporization, desorption, condensation and flow of liquids and gases in applications that use such processes on a miniature scale. Examples that will benefit from a high surface area, porous silicon structure include sample preconcentrators that are designed to adsorb and subsequently desorb specific chemical species from a sample background; chemical reaction chambers with enhanced surface reaction rates; and sensor-actuator chamber devices with increased pressure for thermopneumatic actuation of integrated membranes. Examples that benefit from specific pore sized porous silicon are chemical/biological filters and thermally-activated flow devices with active or adjacent surfaces such as electrodes or heaters. 9 figs.

  15. Condensation and Wetting Dynamics on Micro/Nano-Structured Surfaces

    Science.gov (United States)

    Olceroglu, Emre

    Because of their adjustable wetting characteristics, micro/nanostructured surfaces are attractive for the enhancement of phase-change heat transfer where liquid-solid-vapor interactions are important. Condensation, evaporation, and boiling processes are traditionally used in a variety of applications including water harvesting, desalination, industrial power generation, HVAC, and thermal management systems. Although they have been studied by numerous researchers, there is currently a lack of understanding of the underlying mechanisms by which structured surfaces improve heat transfer during phase-change. This PhD dissertation focuses on condensation onto engineered surfaces including fabrication aspect, the physics of phase-change, and the operational limitations of engineered surfaces. While superhydrophobic condensation has been shown to produce high heat transfer rates, several critical issues remain in the field. These include surface manufacturability, heat transfer coefficient measurement limitations at low heat fluxes, failure due to surface flooding at high supersaturations, insufficient modeling of droplet growth rates, and the inherent issues associated with maintenance of non-wetted surface structures. Each of these issues is investigated in this thesis, leading to several contributions to the field of condensation on engineered surfaces. A variety of engineered surfaces have been fabricated and characterized, including nanostructured and hierarchically-structured superhydrophobic surfaces. The Tobacco mosaic virus (TMV) is used here as a biological template for the fabrication of nickel nanostructures, which are subsequently functionalized to achieve superhydrophobicity. This technique is simple and sustainable, and requires no applied heat or external power, thus making it easily extendable to a variety of common heat transfer materials and complex geometries. To measure heat transfer rates during superhydrophobic condensation in the presence of non

  16. Stable Solar-Blind Ultraviolet III-Nitride Photocathode for Astronomy Applications

    Science.gov (United States)

    Bell, Lloyd

    In this effort, we propose to develop a new type of cesium-free photocathode using III- nitride materials (GaN, AlN, and their alloys) to achieve highly efficient, solar blind, and stable ultraviolet (UV) response. Currently, detectors used in UV instruments utilize a photocathode to convert UV photons into electrons that are subsequently detected by microchannel plate or CCD. The performance of these detectors critically depends on the efficiency and stability of their photocathodes. In particular, photocathode instability is responsible for many of the fabrication difficulties commonly experienced with this class of detectors. In recent years, III-nitride (in particular GaN) photocathodes have been demonstrated with very high quantum efficiency (>50%) in parts of UV spectral range; however, these photocathodes still rely on cesiation for activation. The proposed photocathode structure will achieve activation through methods for band structure engineering such as delta- doping and polarization field engineering. Compared to the current state-of-the-art in flight-ready microchannel plate/Cs2Te sealed tubes, photocathodes based on III-nitride materials will increase the quantum efficiency by nearly an order of magnitude and significantly enhance both fabrication yield and reliability, since they will not require cesium or other highly reactive materials for activation. This performance will enable a next-generation UV spectroscopic and imaging mission that is of high scientific priority for NASA. This photocathode uses near-surface band-structure engineering to create a permanently activated surface, with high efficiency and air-stable UV response. We will combine this III-nitride structure with our unique III-nitride processing technology to optimize the efficiency and uniformity of the photocathode. In addition, through our design, growth, and processing techniques, we will extend the application of these photocathodes into far UV for both semitransparent and

  17. Understanding surface structure and chemistry of single crystal lanthanum aluminate

    KAUST Repository

    Pramana, Stevin S.

    2017-03-02

    The surface crystallography and chemistry of a LaAlO3 single crystal, a material mainly used as a substrate to deposit technologically important thin films (e.g. for superconducting and magnetic devices), was analysed using surface X-ray diffraction and low energy ion scattering spectroscopy. The surface was determined to be terminated by Al-O species, and was significantly different from the idealised bulk structure. Termination reversal was not observed at higher temperature (600 °C) and chamber pressure of 10−10 Torr, but rather an increased Al-O occupancy occurred, which was accompanied by a larger outwards relaxation of Al from the bulk positions. Changing the oxygen pressure to 10−6 Torr enriched the Al site occupancy fraction at the outermost surface from 0.245(10) to 0.325(9). In contrast the LaO, which is located at the next sub-surface atomic layer, showed no chemical enrichment and the structural relaxation was lower than for the top AlO2 layer. Knowledge of the surface structure will aid the understanding of how and which type of interface will be formed when LaAlO3 is used as a substrate as a function of temperature and pressure, and so lead to improved design of device structures.

  18. Conditions for Stable Chip Breaking and Provision of Machined Surface Quality While Turning with Asymmetric Tool Vibrations

    OpenAIRE

    Шелег, В. К.; Молочко, В. И.; Данильчик, С. С.

    2015-01-01

    The paper considers a process of turning structural steel with asymmetric tool vibrations directed along feeding. Asymmetric vibrations characterized by asymmetry coefficient of vibration cycle, their frequency and amplitude are additionally transferred to the tool in the turning process with the purpose to crush chips. Conditions of stable chip breaking and obtaining optimum dimensions of chip elements have been determined in the paper. In order to reduce a negative impact of the vibration a...

  19. Synthesis of Stable Interfaces on SnO2 Surfaces for Charge-Transfer Applications

    Science.gov (United States)

    Benson, Michelle C.

    The commercial market for solar harvesting devices as an alternative energy source requires them to be both low-cost and efficient to replace or reduce the dependence on fossil fuel burning. Over the last few decades there has been promising efforts towards improving solar devices by using abundant and non-toxic metal oxide nanomaterials. One particular metal oxide of interest has been SnO2 due to its high electron mobility, wide-band gap, and aqueous stability. However SnO2 based solar cells have yet to reach efficiency values of other metal oxides, like TiO2. The advancement of SnO2 based devices is dependent on many factors, including improved methods of surface functionalization that can yield stable interfaces. This work explores the use of a versatile functionalization method through the use of the Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction. The CuAAC reaction is capable of producing electrochemically, photochemically, and electrocatalytically active surfaces on a variety of SnO2 materials. The resulting charge-transfer characteristics were investigated as well as an emphasis on understanding the stability of the resulting molecular linkage. We determined the CuAAC reaction is able to proceed through both azide-modified and alkyne-modified surfaces. The resulting charge-transfer properties showed that the molecular tether was capable of supporting charge separation at the interface. We also investigated the enhancement of electron injection upon the introduction of an ultra-thin ZrO2 coating on SnO2. Several complexes were used to fully understand the charge-transfer capabilities, including model systems of ferrocene and a ruthenium coordination complex, a ruthenium mononuclear water oxidation catalyst, and a commercial ruthenium based dye.

  20. Surfaces of Microparticles in Colloids: Structure and Molecular Adsorption Kinetics

    Science.gov (United States)

    Dai, Hai-Lung

    2002-03-01

    Surfaces of micron and sub-micron size particles in liquid solution are probed by second harmonic generation (SHG) facilitated with femtosecond laser pulses. The particles probed include inorganic objects such as carbon black and color pigments, polymeric species like polystyrene beads, and biological systems such as blood cells and ecoli. In the experiments, dye molecules are first adsorbed onto the particle surface to allow generation of second harmonics upon light irradiation. Competition for adsorption between these surface dye molecules and the molecules of interest in the solution is then monitored by the SHG signal to reveal the molecular adsorption kinetics and surface structure. Specifically, surfactant adsorption on polymer surfaces, the structure of carbon black surface, and protein adsorption on biological surfaces, monitored by this technique, will be discussed.

  1. Micro-nano hierarchically structured nylon 6,6 surfaces with unique wettability.

    Science.gov (United States)

    Zhang, Liang; Zhang, Xiaoyan; Dai, Zhen; Wu, Junjie; Zhao, Ning; Xu, Jian

    2010-05-01

    A micro-nano hierarchically structured nylon 6,6 surface was easily fabricated by phase separation. Nylon 6,6 plate was swelled by formic acid and then immersed in a coagulate bath to precipitate. Micro particles with nano protrusions were generated and linked together covering over the surface. After dried up, the as-formed surface showed superhydrophilic ability. Inspired by lotus only employing 2-tier structure and ordinary plant wax to maintain superhydrophobicity, paraffin wax, a low surface energy material, was used to modify the hierarchically structured nylon 6,6 surface. The resultant surface had water contact angle (CA) of 155.2+/-1.3 degrees and a low sliding angle. The whole process was carried on under ambient condition and only need a few minutes. Copyright 2010 Elsevier Inc. All rights reserved.

  2. Surface Properties of Titanium dioxide and its Structural Modifications by Reactions with Transition Metals

    Science.gov (United States)

    Halpegamage, Sandamali

    polymorph. So far, a reasonable explanation as to why these differences exist was not reported. In our studies, we used high quality epitaxial rutile and anatase thin films which enabled isolating the surface effects from the bulk effects and show that it is the difference between the charge carrier diffusion lengths that causes this difference in activities. In addition to that, using different surface orientations of rutile-TiO 2, we show that the anisotropic bulk charge carrier mobility may contribute to the orientation dependent photoactivity. Moreover, we show that different surface preparation methods also affect the activity of the sample and vacuum reduction results in an enhanced activity. In an effort to modify the TiO2 surfaces with monolayer/mixed monolayer oxides, we carried out experiments on (011) orientation of single crystal rutile TiO2 with few of the selected transition metal oxides namely Fe, V, Cr and Ni. We found that for specific oxidation conditions a monolayer mixed oxide is formed for all M (M= Fe, V, Cr, Ni), with one common structure with the composition MTi2O5. For small amounts of M the surface segregates into pure TiO2(011)-2x1 and into domains of MTi2O5 indicating that this mixed monolayer oxide is a low energy line phase in a compositional surface phase diagram. The oxygen pressure required for the formation of this unique monolayer structure increases in the order of Venthalpy of formation of oxide for these transition metals. The structure proposed for the stable MTi2O5 mixed monolayer oxide by DFT-based simulations was verified by X-ray photoemission diffraction measurements performed at a synchrotron facility.

  3. Intelligent sampling for the measurement of structured surfaces

    International Nuclear Information System (INIS)

    Wang, J; Jiang, X; Blunt, L A; Scott, P J; Leach, R K

    2012-01-01

    Uniform sampling in metrology has known drawbacks such as coherent spectral aliasing and a lack of efficiency in terms of measuring time and data storage. The requirement for intelligent sampling strategies has been outlined over recent years, particularly where the measurement of structured surfaces is concerned. Most of the present research on intelligent sampling has focused on dimensional metrology using coordinate-measuring machines with little reported on the area of surface metrology. In the research reported here, potential intelligent sampling strategies for surface topography measurement of structured surfaces are investigated by using numerical simulation and experimental verification. The methods include the jittered uniform method, low-discrepancy pattern sampling and several adaptive methods which originate from computer graphics, coordinate metrology and previous research by the authors. By combining the use of advanced reconstruction methods and feature-based characterization techniques, the measurement performance of the sampling methods is studied using case studies. The advantages, stability and feasibility of these techniques for practical measurements are discussed. (paper)

  4. Tukey max-stable processes for spatial extremes

    KAUST Repository

    Xu, Ganggang

    2016-09-21

    We propose a new type of max-stable process that we call the Tukey max-stable process for spatial extremes. It brings additional flexibility to modeling dependence structures among spatial extremes. The statistical properties of the Tukey max-stable process are demonstrated theoretically and numerically. Simulation studies and an application to Swiss rainfall data indicate the effectiveness of the proposed process. © 2016 Elsevier B.V.

  5. Cells responding to surface structure of calcium phosphate ceramics for bone regeneration.

    Science.gov (United States)

    Zhang, Jingwei; Sun, Lanying; Luo, Xiaoman; Barbieri, Davide; de Bruijn, Joost D; van Blitterswijk, Clemens A; Moroni, Lorenzo; Yuan, Huipin

    2017-11-01

    Surface structure largely affects the inductive bone-forming potential of calcium phosphate (CaP) ceramics in ectopic sites and bone regeneration in critical-sized bone defects. Surface-dependent osteogenic differentiation of bone marrow stromal cells (BMSCs) partially explained the improved bone-forming ability of submicron surface structured CaP ceramics. In this study, we investigated the possible influence of surface structure on different bone-related cells, which may potentially participate in the process of improved bone formation in CaP ceramics. Besides BMSCs, the response of human brain vascular pericytes (HBVP), C2C12 (osteogenic inducible cells), MC3T3-E1 (osteogenic precursors), SV-HFO (pre-osteoblasts), MG63 (osteoblasts) and SAOS-2 (mature osteoblasts) to the surface structure was evaluated in terms of cell proliferation, osteogenic differentiation and gene expression. The cells were cultured on tricalcium phosphate (TCP) ceramics with either micron-scaled surface structure (TCP-B) or submicron-scaled surface structure (TCP-S) for up to 14 days, followed by DNA, alkaline phosphatase (ALP) and quantitative polymerase chain reaction gene assays. HBVP were not sensitive to surface structure with respect to cell proliferation and osteogenic differentiation, but had downregulated angiogenesis-related gene expression (i.e. vascular endothelial growth factor) on TCP-S. Without additional osteogenic inducing factors, submicron-scaled surface structure enhanced ALP activity and osteocalcin gene expression of human (h)BMSCs and C2C12 cells, favoured the proliferation of MC3T3-E1, MG63 and SAOS-2, and increased ALP activity of MC3T3-E1 and SV-HFO. The results herein indicate that cells with osteogenic potency (either osteogenic inducible cells or osteogenic cells) could be sensitive to surface structure and responded to osteoinductive submicron-structured CaP ceramics in cell proliferation, ALP production or osteogenic gene expression, which favour bone

  6. Morphology, molecular structure, and stable carbon isotopic composition of black carbon (BC) in urban topsoils.

    Science.gov (United States)

    Zong, Yutong; Xiao, Qing; Lu, Shenggao

    2018-02-01

    Urban soils contain significant amounts of black carbon (BC) from biomass and fossil fuel combustion and regard to be a pool of BC. BC in urban soils has multiple effects on environmental processes in urban system, such as global climate change, air quality, and public health. Urban topsoil samples (0-10 cm) were collected from Anshan, Liaoning Province, northeast China, which is one of the most important old steel industrial bases in China. The BC in urban topsoils was extracted using the density method. Their chemical composition, morphology, molecular structure, and stable carbon isotopic composition were examined using elemental analysis, scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDS), Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), X-ray diffraction (XRD), and stable carbon isotope (δ 13 C). Elemental analysis shows that carbon content in the BC of studied soils ranged from 64.5 to 78.4%, with the average more than 70%. The O/C atomic ratio of BC is on average 0.18. The BC particle displays different morphology, including porous spherical, irregular porous fragmentary, and blocky shapes. The porous spherical BC particles has atomic molar O/C ratio determined by SEM-EDS ranging from 0.04 to 0.37. XRD indicates that BC exists in mainly combining with mineral phases hematite (Fe 2 O 3 ), kaolinite (Al 2 Si 2 O 5 (OH) 4 ), quartz (SiO 2 ), and calcite (CaCO 3 ). The FTIR spectra of BC particles show major bands at approximately 3400 cm -1 (O-H), 2920 cm -1 (C = H), 1600 cm -1 (C = C), 1230 cm -1 (C = O), and 1070 cm -1 (C = O). The stable carbon isotope (δ 13 C) of BC ranges from -24.48 to -23.18‰ with the average of -23.79 ± 0.39‰. The concentration of BC in the industrial area is significantly (p fuel combustion. Results indicated that a combination of atomic O/C ratio, porous structure, and stable carbon isotopic (δ 13 C) of BC could reflect effectively the origin of BC

  7. Insights on the structure and stability of Licanantase: a trimeric acid-stable coiled-coil lipoprotein from Acidithiobacillus thiooxidans

    Directory of Open Access Journals (Sweden)

    Fernando Abarca

    2014-08-01

    Full Text Available Licanantase (Lic is the major component of the secretome of Acidithiobacillus thiooxidans when grown in elemental sulphur. When used as an additive, Lic improves copper recovery from bioleaching processes. However, this recovery enhancement is not fully understood. In this context, our aim is to predict the 3D structure of Lic, to shed light on its structure-function relationships. Bioinformatics analyses on the amino acid sequence of Lic showed a great similarity with Lpp, an Escherichia coli Lipoprotein that can form stable trimers in solution. Lic and Lpp share the secretion motif, intracellular processing and alpha helix structure, as well as the distribution of hydrophobic residues in heptads forming a hydrophobic core, typical of coiled-coil structures. Cross-linking experiments showed the presence of Lic trimers, supporting our predictions. Taking the in vitro and in silico evidence as a whole, we propose that the most probable structure for Lic is a trimeric coiled-coil. According to this prediction, a suitable model for Lic was produced using the de novo algorithm “Rosetta Fold-and-Dock”. To assess the structural stability of our model, Molecular Dynamics (MD and Replica Exchange MD simulations were performed using the structure of Lpp and a 14-alanine Lpp mutant as controls, at both acidic and neutral pH. Our results suggest that Lic was the most stable structure among the studied proteins in both pH conditions. This increased stability can be explained by a higher number of both intermonomer hydrophobic contacts and hydrogen bonds, key elements for the stability of Lic’s secondary and tertiary structure.

  8. Understanding the stability of Fe incorporation within Mn_3N_2(0 0 1) surfaces: An ab-initio study

    International Nuclear Information System (INIS)

    Guerrero-Sánchez, J.; Mandru, Andrada-Oana; Takeuchi, Noboru; Cocoletzi, Gregorio H.; Smith, Arthur R.

    2016-01-01

    Graphical abstract: - Highlights: • The Fe incorporation into inner layers of the Mn_3N_2 surfaces is stable in all range of chemical potential. • Displaced Mn atoms forming cluster-like structures induce the stability of incorporated Fe atoms. • Antiferromagnetic alignment in the [0 0 1] direction and in-plane Ferromagnetic Fe–Fe and Fe–Mn alignments are the same as in Mn_3N_2 bulk structure. • Incorporated Fe layers contribute to the metallic character of these surfaces. - Abstract: We present first principles spin-polarized calculations of the adsorption and incorporation of iron in the Mn_3N_2(0 0 1) surfaces. By means of a surface formation energy criterion, it is demonstrated that Fe incorporation is energetically stable for all studied surfaces. An Fe bilayer formation is achieved after Fe atoms displace Mn atoms in the sub-surface N-vacancy layers. An analysis of the magnetic coupling shows an antiferromagnetic alignment along the [0 0 1] direction as in the clean, ideal surfaces. Also, the in-plane magnetic coupling between Fe–Fe and Fe–Mn shows a ferromagnetic tendency, similar to the clean, ideally terminated surfaces. These results clearly indicate that Fe behaves like Mn when adsorbed into the Mn_3N_2 surface. Density of states calculations of the stable structures show a slight deviation from the antiferromagnetic-like behavior, with the most important contribution around the Fermi level coming from the Fe-d and Mn-d orbitals.

  9. Global structural optimizations of surface systems with a genetic algorithm

    International Nuclear Information System (INIS)

    Chuang, Feng-Chuan

    2005-01-01

    Global structural optimizations with a genetic algorithm were performed for atomic cluster and surface systems including aluminum atomic clusters, Si magic clusters on the Si(111) 7 x 7 surface, silicon high-index surfaces, and Ag-induced Si(111) reconstructions. First, the global structural optimizations of neutral aluminum clusters Al n (n up to 23) were performed using a genetic algorithm coupled with a tight-binding potential. Second, a genetic algorithm in combination with tight-binding and first-principles calculations were performed to study the structures of magic clusters on the Si(111) 7 x 7 surface. Extensive calculations show that the magic cluster observed in scanning tunneling microscopy (STM) experiments consist of eight Si atoms. Simulated STM images of the Si magic cluster exhibit a ring-like feature similar to STM experiments. Third, a genetic algorithm coupled with a highly optimized empirical potential were used to determine the lowest energy structure of high-index semiconductor surfaces. The lowest energy structures of Si(105) and Si(114) were determined successfully. The results of Si(105) and Si(114) are reported within the framework of highly optimized empirical potential and first-principles calculations. Finally, a genetic algorithm coupled with Si and Ag tight-binding potentials were used to search for Ag-induced Si(111) reconstructions at various Ag and Si coverages. The optimized structural models of √3 x √3, 3 x 1, and 5 x 2 phases were reported using first-principles calculations. A novel model is found to have lower surface energy than the proposed double-honeycomb chained (DHC) model both for Au/Si(111) 5 x 2 and Ag/Si(111) 5 x 2 systems

  10. Bio-inspired micro-nano structured surface with structural color and anisotropic wettability on Cu substrate

    International Nuclear Information System (INIS)

    Liu, Yan; Li, Shuyi; Niu, Shichao; Cao, Xiaowen; Han, Zhiwu; Ren, Luquan

    2016-01-01

    Highlights: • We have prepared a biomimetic hydrophobic surface on copper substrate by one-step femtosecond laser technique. • The hydrophobicity mechanism relies on morphology and chemical component on surface. • The hydrophobic surfaces exhibit different structural colors and a anisotropic wettability. - Abstract: Inspired by the unique creatures in the nature, the femtosecond laser technology has been usually used to fabricate the periodic microstructures due to its advantages of rapidness, simplicity, ease of large-area fabrication, and simultaneously offering dual micro/nano-scale structures simply via one-step process for a wide variety of materials. By changing the experimental conditions, multi-functional surfaces which possess superhydrophobicity and structural colors could be achieved on copper substrate. In addition, the apparent contact angle can reach 144.3° without any further modification, which also exhibits the anisotropic wettability. Moreover, it can be inferred that higher laser fluence can lead to a larger CA within a certain range. At the same time, due to the change of laser processing parameters, the obtained surfaces present different structural colors. This study may expand the applications of bio-inspired functional materials because multiple colors and hydrophobicity are both important features in the real life and industrial applications, such as display, decoration, and anti-counterfeiting technology etc.

  11. Bio-inspired micro-nano structured surface with structural color and anisotropic wettability on Cu substrate

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yan [Key Laboratory of Bionic Engineering (Ministry of Education), Jilin University, Changchun 130022 (China); State Key Laboratory of Automotive Simulation and Control, Jilin University, Changchun 130022 (China); Li, Shuyi; Niu, Shichao [Key Laboratory of Bionic Engineering (Ministry of Education), Jilin University, Changchun 130022 (China); Cao, Xiaowen [Key Laboratory on Integrated Optoelectronics College of Electronic Science and Engineering, Jilin University, Changchun 130012 (China); Han, Zhiwu, E-mail: zwhan@jlu.edu.cn [Key Laboratory of Bionic Engineering (Ministry of Education), Jilin University, Changchun 130022 (China); Ren, Luquan [Key Laboratory of Bionic Engineering (Ministry of Education), Jilin University, Changchun 130022 (China)

    2016-08-30

    Highlights: • We have prepared a biomimetic hydrophobic surface on copper substrate by one-step femtosecond laser technique. • The hydrophobicity mechanism relies on morphology and chemical component on surface. • The hydrophobic surfaces exhibit different structural colors and a anisotropic wettability. - Abstract: Inspired by the unique creatures in the nature, the femtosecond laser technology has been usually used to fabricate the periodic microstructures due to its advantages of rapidness, simplicity, ease of large-area fabrication, and simultaneously offering dual micro/nano-scale structures simply via one-step process for a wide variety of materials. By changing the experimental conditions, multi-functional surfaces which possess superhydrophobicity and structural colors could be achieved on copper substrate. In addition, the apparent contact angle can reach 144.3° without any further modification, which also exhibits the anisotropic wettability. Moreover, it can be inferred that higher laser fluence can lead to a larger CA within a certain range. At the same time, due to the change of laser processing parameters, the obtained surfaces present different structural colors. This study may expand the applications of bio-inspired functional materials because multiple colors and hydrophobicity are both important features in the real life and industrial applications, such as display, decoration, and anti-counterfeiting technology etc.

  12. Surface and mineral structure of ferrihydrite

    NARCIS (Netherlands)

    Hiemstra, T.

    2013-01-01

    Ferrihydrite (Fh) is an yet enigmatic nano Fe(III)-oxide material, omnipresent in nature that can bind ions in large quantities, regulating bioavailability and ion mobility. Although extensively studied, to date no proper view exists on the surface structure and composition, while it is of vital

  13. Soil Structure - A Neglected Component of Land-Surface Models

    Science.gov (United States)

    Fatichi, S.; Or, D.; Walko, R. L.; Vereecken, H.; Kollet, S. J.; Young, M.; Ghezzehei, T. A.; Hengl, T.; Agam, N.; Avissar, R.

    2017-12-01

    Soil structure is largely absent in most standard sampling and measurements and in the subsequent parameterization of soil hydraulic properties deduced from soil maps and used in Earth System Models. The apparent omission propagates into the pedotransfer functions that deduce parameters of soil hydraulic properties primarily from soil textural information. Such simple parameterization is an essential ingredient in the practical application of any land surface model. Despite the critical role of soil structure (biopores formed by decaying roots, aggregates, etc.) in defining soil hydraulic functions, only a few studies have attempted to incorporate soil structure into models. They mostly looked at the effects on preferential flow and solute transport pathways at the soil profile scale; yet, the role of soil structure in mediating large-scale fluxes remains understudied. Here, we focus on rectifying this gap and demonstrating potential impacts on surface and subsurface fluxes and system wide eco-hydrologic responses. The study proposes a systematic way for correcting the soil water retention and hydraulic conductivity functions—accounting for soil-structure—with major implications for near saturated hydraulic conductivity. Modification to the basic soil hydraulic parameterization is assumed as a function of biological activity summarized by Gross Primary Production. A land-surface model with dynamic vegetation is used to carry out numerical simulations with and without the role of soil-structure for 20 locations characterized by different climates and biomes across the globe. Including soil structure affects considerably the partition between infiltration and runoff and consequently leakage at the base of the soil profile (recharge). In several locations characterized by wet climates, a few hundreds of mm per year of surface runoff become deep-recharge accounting for soil-structure. Changes in energy fluxes, total evapotranspiration and vegetation productivity

  14. Low-energy electron diffraction experiment, theory and surface structure determination

    CERN Document Server

    Hove, Michel A; Chan, Chi-Ming

    1986-01-01

    Surface crystallography plays the same fundamental role in surface science which bulk crystallography has played so successfully in solid-state physics and chemistry. The atomic-scale structure is one of the most important aspects in the understanding of the behavior of surfaces in such widely diverse fields as heterogeneous catalysis, microelectronics, adhesion, lubrication, cor­ rosion, coatings, and solid-solid and solid-liquid interfaces. Low-Energy Electron Diffraction or LEED has become the prime tech­ nique used to determine atomic locations at surfaces. On one hand, LEED has yielded the most numerous and complete structural results to date (almost 200 structures), while on the other, LEED has been regarded as the "technique to beat" by a variety of other surface crystallographic methods, such as photoemission, SEXAFS, ion scattering and atomic diffraction. Although these other approaches have had impressive successes, LEED has remained the most productive technique and has shown the most versatility...

  15. Simple surface structure determination from Fourier transforms of angle-resolved photoemission extended fine structure

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Y. [Pennsylvania State Univ., University Park, PA (United States)]|[Lawrence Berkeley Lab., CA (United States); Shirley, D.A. [Pennsylvania State Univ., University Park, PA (United States)

    1995-02-01

    The authors show by Fourier analyses of experimental data, with no further treatment, that the positions of all the strong peaks in Fourier transforms of angle-resolved photoemission extended fine structure (ARPEFS) from adsorbed surfaces can be explicitly predicted from a trial structure with an accuracy of about {+-} 0.3 {angstrom} based on a single-scattering cluster model together with the concept of a strong backscattering cone, and without any additional analysis. This characteristic of ARPEFS Fourier transforms can be developed as a simple method for determining the structures of adsorbed surfaces to an accuracy of about {+-} 0.1 {angstrom}.

  16. Surface structure determination of group 11 metals adsorbed on a rhenium(10 anti 10) surface by low-energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Messahel, Lyria

    2012-11-12

    This thesis deals with the computational surface determination of various long-range ordered phases formed by thin films of copper, silver, and gold adsorbed on the rhenium- (10 anti 10) surface. It is based upon LEED-I,V curves for these phases that were recorded in the course of detailed experimental investigations of the respective films carried out in our group (using techniques such as LEED, MEED, and TPD). In order to solve the intricate puzzle of surface structural analysis, the electron elastic scattering behaviour of the investigated coinage metal phases was calculated using the Erlangen TensErLEED program package. Thereby first a set of theoretical LEED-I,V curves is derived for a guessed reference structure. Subsequently its structural input parameters are varied in a trial-and-error procedure until optimal agreement between experiment and theory is attained. The (1 x 1) phases formed by the deposited metals were tackled first to establish an absolute coverage calibration and to elucidate the respective growth modes on the Re(10 anti 10) surface. In all three cases the (1 x 1) structure is developed best at a coverage {Theta}{sub Cu,Ag,Au}=2 ML=1 BL. Extension of the investigation to experimental I,V curves for higher Cu coverages revealed that this element continues to grow bilayerwise, thereby retaining the Re hcp morphology. Ag, in contrast to Cu and Au, happens not to grow as homogeneously, and the TPD data suggest that Ag films exhibit the so-called simultaneous-multilayer (SM) growth mode. The following analysis of the sub-bilayer coverage range shows that the three systems exhibit considerable differences. While Cu, having a negative lattice misfit compared to Re, shows no long-range ordered superstructures, Ag and Au with a similar positive misfit form a couple of such phases. Ag features both a (1 x 4) phase, stable at ambient temperatures, that upon heating transforms into a c(2 x 2) phase that only exists at elevated temperatures. The

  17. Surface structure determination of group 11 metals adsorbed on a rhenium(10 anti 10) surface by low-energy electron diffraction

    International Nuclear Information System (INIS)

    Messahel, Lyria

    2012-01-01

    This thesis deals with the computational surface determination of various long-range ordered phases formed by thin films of copper, silver, and gold adsorbed on the rhenium- (10 anti 10) surface. It is based upon LEED-I,V curves for these phases that were recorded in the course of detailed experimental investigations of the respective films carried out in our group (using techniques such as LEED, MEED, and TPD). In order to solve the intricate puzzle of surface structural analysis, the electron elastic scattering behaviour of the investigated coinage metal phases was calculated using the Erlangen TensErLEED program package. Thereby first a set of theoretical LEED-I,V curves is derived for a guessed reference structure. Subsequently its structural input parameters are varied in a trial-and-error procedure until optimal agreement between experiment and theory is attained. The (1 x 1) phases formed by the deposited metals were tackled first to establish an absolute coverage calibration and to elucidate the respective growth modes on the Re(10 anti 10) surface. In all three cases the (1 x 1) structure is developed best at a coverage Θ Cu,Ag,Au =2 ML=1 BL. Extension of the investigation to experimental I,V curves for higher Cu coverages revealed that this element continues to grow bilayerwise, thereby retaining the Re hcp morphology. Ag, in contrast to Cu and Au, happens not to grow as homogeneously, and the TPD data suggest that Ag films exhibit the so-called simultaneous-multilayer (SM) growth mode. The following analysis of the sub-bilayer coverage range shows that the three systems exhibit considerable differences. While Cu, having a negative lattice misfit compared to Re, shows no long-range ordered superstructures, Ag and Au with a similar positive misfit form a couple of such phases. Ag features both a (1 x 4) phase, stable at ambient temperatures, that upon heating transforms into a c(2 x 2) phase that only exists at elevated temperatures. The structure

  18. In situ diffraction studies of electrode surface structure during gold electrodeposition

    International Nuclear Information System (INIS)

    Magnussen, O.M.; Krug, K.; Ayyad, A.H.; Stettner, J.

    2008-01-01

    Surface X-ray scattering (SXS) in transmission geometry provides a valuable tool for in situ structural studies of electrochemical interfaces under reaction conditions, as illustrated here for homoepitaxial electrodeposition on Au(1 0 0) and Au(1 1 1) electrodes. Employing diffusion-limited deposition conditions to separate the effects of potential and deposition rate, a mutual interaction between the interface structure and the growth behavior is found. Time-dependent SXS measurements during Au(1 0 0) homoepitaxy show with decreasing potential transitions from step flow to layer-by-layer growth, then to multilayer growth, and finally back to layer-by-layer growth. This complex growth behavior can be explained within the framework of kinetic growth theory by the effect of potential, Cl adsorbates and the Au surface structure, specifically the presence of the surface reconstruction, on the Au surface mobility. Conversely, the electrodeposition process influences the structure of the reconstructed Au surface, as illustrated for Au(1 1 1), where a significant deposition-induced compression of the Au surface layer as compared to Au(1 1 1) surfaces under ultrahigh vacuum conditions or in Au-free electrolyte is found. This compression increases towards more negative potentials, which may be explained by a release of potential-induced surface stress

  19. Structural rearrangements in the C/W(001) surface system

    International Nuclear Information System (INIS)

    Lyman, P.F.; Mullins, D.R.

    1995-01-01

    We have investigated the surface structure of the C/W(001) surface system at submonolayer C coverages using Auger-electron spectroscopy and high-resolution core-level photoelectron spectroscopy. Core-level spectroscopy is a sensitive probe of an atom's local electronic environment; by examining the core levels of the W atoms in the selvedge region, we monitored the response of the substrate to C adsorption. The average shift of the 4f core-level binding energy provided evidence for a heretofore unknown surface reconstruction that occurs upon submonolayer C adsorption. We also performed line-shape analysis on these core-level spectra, and have thereby elucidated the mechanism by which the low-coverage (√2 x √2 )R45 degree structure evolves to a c(3 √2 x √2 )R45 degree arrangement upon further C adsorption. The line-shape analysis also provides corroborating evidence for a proposed model of the saturated C/W(001)-(5x1) surface structure, and suggests that the first two or three atomic W layers are perturbed by the C adsorption and attendant reconstruction

  20. Uses of stable isotopes

    International Nuclear Information System (INIS)

    Axente, Damian

    1998-01-01

    The most important fields of stable isotope use with examples are presented. These are: 1. Isotope dilution analysis: trace analysis, measurements of volumes and masses; 2. Stable isotopes as tracers: transport phenomena, environmental studies, agricultural research, authentication of products and objects, archaeometry, studies of reaction mechanisms, structure and function determination of complex biological entities, studies of metabolism, breath test for diagnostic; 3. Isotope equilibrium effects: measurement of equilibrium effects, investigation of equilibrium conditions, mechanism of drug action, study of natural processes, water cycle, temperature measurements; 4. Stable isotope for advanced nuclear reactors: uranium nitride with 15 N as nuclear fuel, 157 Gd for reactor control. In spite of some difficulties of stable isotope use, particularly related to the analytical techniques, which are slow and expensive, the number of papers reporting on this subject is steadily growing as well as the number of scientific meetings organized by International Isotope Section and IAEA, Gordon Conferences, and regional meeting in Germany, France, etc. Stable isotope application development on large scale is determined by improving their production technologies as well as those of labeled compound and the analytical techniques. (author)

  1. Reaction paths of alane dissociation on the Si(0 0 1) surface

    Science.gov (United States)

    Smith, Richard; Bowler, David R.

    2018-03-01

    Building on our earlier study, we examine the kinetic barriers to decomposition of alane, AlH3, on the Si(0 0 1) surface, using the nudged elastic band approach within density functional theory. We find that the initial decomposition to AlH with two H atoms on the surface proceeds without a significant barrier. There are several pathways available to lose the final hydrogen, though these present barriers of up to 1 eV. Incorporation is more challenging, with the initial structures less stable in several cases than the starting structures, just as was found for phosphorus. We identify a stable route for Al incorporation following selective surface hydrogen desorption (e.g. by scanning tunneling microscope tip). The overall process parallels PH3, and indicates that atomically precise acceptor doping should be possible.

  2. Scanning moiré and spatial-offset phase-stepping for surface inspection of structures

    Science.gov (United States)

    Yoneyama, S.; Morimoto, Y.; Fujigaki, M.; Ikeda, Y.

    2005-06-01

    In order to develop a high-speed and accurate surface inspection system of structures such as tunnels, a new surface profile measurement method using linear array sensors is studied. The sinusoidal grating is projected on a structure surface. Then, the deformed grating is scanned by linear array sensors that move together with the grating projector. The phase of the grating is analyzed by a spatial offset phase-stepping method to perform accurate measurement. The surface profile measurements of the wall with bricks and the concrete surface of a structure are demonstrated using the proposed method. The change of geometry or fabric of structures and the defects on structure surfaces can be detected by the proposed method. It is expected that the surface profile inspection system of tunnels measuring from a running train can be constructed based on the proposed method.

  3. Transcription of Small Surface Structures in Injection Moulding - An Experimental Study

    DEFF Research Database (Denmark)

    Arlø, Uffe Rolf; Kjær, Erik Michael

    2000-01-01

    The ability to replicate the surface roughness from mold wall to the plastic part in injection moldning has many functional and cosmetic important implications from medical use to designer products. Generally the understanding of surface transcription i.e the the replication of the surface...... structure from the mould to plastic part, also relates to micro injection moulding and moulding of parts with specific micro structures on the surface such as optical parts. The present study concerns transcription of surface roughness as a function of process parameters. The study is carried out...

  4. Transcription of Small Surface Structures in Injection Molding - an Experimental Study

    DEFF Research Database (Denmark)

    Arlø, Uffe Rolf; Kjær, Erik Michael

    2001-01-01

    The ability to replicate the surface roughness from mold wall to the plastic part in injection moldning has many functional and cosmetic important implications from medical use to designer products. Generally the understanding of surface transcription i.e the the replication of the surface...... structure from the mould to plastic part, also relates to micro injection moulding and moulding of parts with specific micro structures on the surface such as optical parts. The present study concerns transcription of surface roughness as a function of process parameters. The study is carried out...

  5. Stability of Picard Bundle Over Moduli Space of Stable Vector ...

    Indian Academy of Sciences (India)

    Abstract. Answering a question of [BV] it is proved that the Picard bundle on the moduli space of stable vector bundles of rank two, on a Riemann surface of genus at least three, with fixed determinant of odd degree is stable.

  6. Language learners privilege structured meaning over surface frequency

    Science.gov (United States)

    Culbertson, Jennifer; Adger, David

    2014-01-01

    Although it is widely agreed that learning the syntax of natural languages involves acquiring structure-dependent rules, recent work on acquisition has nevertheless attempted to characterize the outcome of learning primarily in terms of statistical generalizations about surface distributional information. In this paper we investigate whether surface statistical knowledge or structural knowledge of English is used to infer properties of a novel language under conditions of impoverished input. We expose learners to artificial-language patterns that are equally consistent with two possible underlying grammars—one more similar to English in terms of the linear ordering of words, the other more similar on abstract structural grounds. We show that learners’ grammatical inferences overwhelmingly favor structural similarity over preservation of superficial order. Importantly, the relevant shared structure can be characterized in terms of a universal preference for isomorphism in the mapping from meanings to utterances. Whereas previous empirical support for this universal has been based entirely on data from cross-linguistic language samples, our results suggest it may reflect a deep property of the human cognitive system—a property that, together with other structure-sensitive principles, constrains the acquisition of linguistic knowledge. PMID:24706789

  7. Structure of magnetic particles studied by small angle neutron scattering. [Magnetic colloid particles in stable liquid dispersion

    Energy Technology Data Exchange (ETDEWEB)

    Cebula, D J; Charles, S W; Popplewell, J

    1981-03-01

    The purpose of this note is to show how the use of small angle neutron scattering (SANS) can provide fundamental information on the structure of magnetic colloid particles in stable liquid dispersion. A more detailed account elaborating the use of the technique to provide fundamental information on interactions will appear later. This contribution contains some principal results on particle structure. The technique of SANS provides a very sensitive means of measuring particle size by measuring the scattered neutron intensity, I(Q), as a function of scattered wave vector, Q.

  8. Multiphase static droplet simulations in hierarchically structured super-hydrophobic surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jung Shin; Lee, Joon Sang [School of Mechanical Engineering, Yonsei University, Seoul (Korea, Republic of)

    2016-08-15

    The surface of first part of study is textured with microscopic pillars of prototypical top geometries as a rectangle. The second one is textured with a hierarchical structure, composed of secondary pillar structures added on the primary texture. The length ratio between two scales of texture is 1:16. We evaluated the non-wetting characteristics of two types of surfaces by measuring CAs as well as the transition from the Wenzel's to Cassie's regimes. We measure the Contact angles (CAs), using the Lattice Boltzmann model (LBM), for two different surface configurations. We evaluated the effect of the hierarchical structure; the robustness of the Cassie regime is enhanced and the apparent contact angle is increased by the secondary structures. This is achieved by increasing the energy barrier against the transition between wetting and non-wetting regimes.

  9. A first-principles study of oxygen adsorption on Ir(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Hengjiao, E-mail: gaohengjiao@163.com; Xiong, Yuqing, E-mail: xiongyq@hotmail.com; Liu, Xiaoli, E-mail: shantianzi@126.com; Zhao, Dongcai, E-mail: zhaodongc@163.com; Feng, Yudong, E-mail: yudong_feng@sina.com; Wang, Lanxi, E-mail: wanglanxi@live.com; Wang, Jinxiao, E-mail: coldwind716@gmail.com

    2016-12-15

    Highlights: • Adsorption of oxygen on Ir(111) surface was studied by density functional theory. • The most stable adsorption site was determined by adsorption energy calculation. • Adsorption of oxygen at bridge and top site on Ir surface was the most stable ones. • Interaction of O 2p and Ir 5d orbits is relatively strong and formed hybridization. - Abstract: In order to understand deposition mechanism of iridium thin film by atomic layer deposition, the adsorption of oxygen on Ir(111) surface was studied by use of density functional theory and a periodical slab model. By calculating the adsorption energy and structure of oxygen at four adsorption sites (top, bridge, fcc-hollow and hcp-hollow) on Ir(111) surface, the most stable adsorption site was determined. On this basis, the banding mechanism of O and Ir atoms was studied by density of states of oxygen and iridium atoms. Oxygen adsorbed at hcp(parallel) site on Ir(111) surface was the most stable one according to the adsorption energy calculation results. Orbital charge analysis indicate that charge transferred from 5p and 5d orbit to 2p orbit of adsorbed O atoms, and 6s orbit of iridium atoms. Meanwhile, density of state study indicated that adsorption of oxygen on Ir(111) surface is mainly due to the interaction between 2p orbit of O atoms and 5d orbit of iridium atoms.

  10. Stable electroluminescence from passivated nano-crystalline porous silicon using undecylenic acid

    Science.gov (United States)

    Gelloz, B.; Sano, H.; Boukherroub, R.; Wayner, D. D. M.; Lockwood, D. J.; Koshida, N.

    2005-06-01

    Stabilization of electroluminescence from nanocrystalline porous silicon diodes has been achieved by replacing silicon-hydrogen bonds terminating the surface of nanocrystalline silicon with more stable silicon-carbon (Si-C) bonds. Hydrosilylation of the surface of partially and anodically oxidized porous silicon samples was thermally induced at about 90 °C using various different organic molecules. Devices whose surface have been modified with stable covalent bonds shows no degradation in the EL efficiency and EL output intensity under DC operation for several hours. The enhanced stability can be attributed to the high chemical resistance of Si-C bonds against current-induced surface oxidation associated with the generation of nonradiative defects. Although devices treated with 1-decene exhibit reduced EL efficiency and brightness compared to untreatred devices, other molecules, such as ethyl-undecylenate and particularly undecylenic acid provide stable and more efficient visible electroluminescence at room temperature. Undecylenic acid provides EL brightness as high as that of an untreated device.

  11. Lowering coefficient of friction in Cu alloys with stable gradient nanostructures.

    Science.gov (United States)

    Chen, Xiang; Han, Zhong; Li, Xiuyan; Lu, K

    2016-12-01

    The coefficient of friction (COF) of metals is usually high, primarily because frictional contacts induce plastic deformation underneath the wear surface, resulting in surface roughening and formation of delaminating tribolayers. Lowering the COF of metals is crucial for improving the reliability and efficiency of metal contacts in engineering applications but is technically challenging. Refining the metals' grains to nanoscale cannot reduce dry-sliding COFs, although their hardness may be elevated many times. We report that a submillimeter-thick stable gradient nanograined surface layer enables a significant reduction in the COF of a Cu alloy under high-load dry sliding, from 0.64 (coarse-grained samples) to 0.29, which is smaller than the COFs of many ceramics. The unprecedented stable low COF stems from effective suppression of sliding-induced surface roughening and formation of delaminating tribolayer, owing to the stable gradient nanostructures that can accommodate large plastic strains under repeated sliding for more than 30,000 cycles.

  12. Investigation of Self-assembly Structure and Properties of a Novel Designed Lego-type Peptide with Double Amphiphilic Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Liang [Sichuan University, Sichuan (China); Zhao, Xiao Jun [Massachusetts Institute of Technology, Cambridge (United States)

    2010-12-15

    A typically designed 'Peptide Lego' has two distinct surfaces: a hydrophilic side that contains the complete charge distribution and a hydrophobic side. In this article, we describe the fabrication of a unique lego-type peptide with the AEAEYAKAK sequence. The novel peptide with double amphiphilic surfaces is different from typical peptides due to special arrangement of the residues. The results of CD, FT-IR, AFM and DLS demonstrate that the peptide with the random coil characteristic was able to form stable nanostructures that were mediated by non-covalent interactions in an aqueous solution. The data further indicated that despite its different structure, the peptide was able to undergo self-assembly similar to a typical peptide. In addition, the use of hydrophobic pyrene as a model allowed the peptide to provide a new type of potential nanomaterial for drug delivery. These efforts collectively open up a new direction in the fabrication of nanomaterials that are more perfect and versatile.

  13. Investigation of Self-assembly Structure and Properties of a Novel Designed Lego-type Peptide with Double Amphiphilic Surfaces

    International Nuclear Information System (INIS)

    Wang, Liang; Zhao, Xiao Jun

    2010-01-01

    A typically designed 'Peptide Lego' has two distinct surfaces: a hydrophilic side that contains the complete charge distribution and a hydrophobic side. In this article, we describe the fabrication of a unique lego-type peptide with the AEAEYAKAK sequence. The novel peptide with double amphiphilic surfaces is different from typical peptides due to special arrangement of the residues. The results of CD, FT-IR, AFM and DLS demonstrate that the peptide with the random coil characteristic was able to form stable nanostructures that were mediated by non-covalent interactions in an aqueous solution. The data further indicated that despite its different structure, the peptide was able to undergo self-assembly similar to a typical peptide. In addition, the use of hydrophobic pyrene as a model allowed the peptide to provide a new type of potential nanomaterial for drug delivery. These efforts collectively open up a new direction in the fabrication of nanomaterials that are more perfect and versatile

  14. Architectural Surfaces and Structures from Circular Arcs

    KAUST Repository

    Shi, Ling

    2013-12-01

    In recent decades, the popularity of freeform shapes in contemporary architecture poses new challenges to digital design. One of them is the process of rationalization, i.e. to make freeform skins or structures affordable to manufacture, which draws the most attention from geometry researchers. In this thesis, we aim to realize this process with simple geometric primitives, circular arcs. We investigate architectural surfaces and structures consisting of circular arcs. Our focus is lying on how to employ them nicely and repetitively in architectural design, in order to decrease the cost in manufacturing. Firstly, we study Darboux cyclides, which are algebraic surfaces of order ≤ 4. We provide a computational tool to identify all families of circles on a given cyclide based on the spherical model of M ̈obius geometry. Practical ways to design cyclide patches that pass through certain inputs are presented. In particular, certain triples of circle families on Darboux cyclides may be suitably arranged as 3-webs. We provide a complete classification of all possible 3-webs of circles on Darboux cyclides. We then investigate the circular arc snakes, which are smooth sequences of circu- lar arcs. We evolve the snakes such that their curvature, as a function of arc length, remains unchanged. The evolution of snakes is utilized to approximate given surfaces by circular arcs or to generated freeform shapes, and it is realized by a 2-step pro- cess. More interestingly, certain 6-arc snake with boundary constraints can produce a smooth self motion, which can be employed to build flexible structures. Another challenging topic is approximating smooth freeform skins with simple panels. We contribute to this problem area by approximating a negatively-curved 5 surface with a smooth union of rational bilinear patches. We provide a proof for vertex consistency of hyperbolic nets using the CAGD approach of the rational B ́ezier form. Moreover, we use Darboux transformations for the

  15. Ion track membranes providing heat pipe surfaces with capillary structures

    International Nuclear Information System (INIS)

    Akapiev, G.N.; Dmitriev, S.N.; Erler, B.; Shirkova, V.V.; Schulz, A.; Pietsch, H.

    2003-01-01

    The microgalvanic method for metal filling of etched ion tracks in organic foils is of particular interest for the fabrication of microsized structures. Microstructures like copper whiskers with a high aspect ratio produced in ion track membranes are suitable for the generation of high-performance heat transfer surfaces. A surface with good heat transfer characteristics is defined as a surface on which a small temperature difference causes a large heat transfer from the surface material to the liquid. It is well-known that a porous surface layer transfers to an evaporating liquid a given quantity of heat at a smaller temperature difference than does a usual smooth surface. Copper whiskers with high aspect ratio and a density 10 5 per cm 2 form such a porous structure, which produces strong capillary forces and therefore a maximum of heat transfer coefficients

  16. Multiresolution Computation of Conformal Structures of Surfaces

    Directory of Open Access Journals (Sweden)

    Xianfeng Gu

    2003-10-01

    Full Text Available An efficient multiresolution method to compute global conformal structures of nonzero genus triangle meshes is introduced. The homology, cohomology groups of meshes are computed explicitly, then a basis of harmonic one forms and a basis of holomorphic one forms are constructed. A progressive mesh is generated to represent the original surface at different resolutions. The conformal structure is computed for the coarse level first, then used as the estimation for that of the finer level, by using conjugate gradient method it can be refined to the conformal structure of the finer level.

  17. Refining femtosecond laser induced periodical surface structures with liquid assist

    International Nuclear Information System (INIS)

    Jiao, L.S.; Ng, E.Y.K.; Zheng, H.Y.

    2013-01-01

    Highlights: ► LIPSS on silicon wafer was made in air and in ethanol environment. ► Ethanol environment produce cleaner surface ripples. ► Ethanol environment decrease spatial wavelength of the LIPSS by 30%. ► More number of pulses produce smaller spatial wavelength in air. ► Number of pulses do not influence spatial wavelength in ethanol environment. - Abstract: Laser induced periodic surface structures were generated on silicon wafer using femtosecond laser. The medium used in this study is both air and ethanol. The laser process parameters such as wavelength, number of pulse, laser fluence were kept constant for both the mediums. The focus of the study is to analyze spatial wavelength. When generating surface structures with air as a medium and same process parameter of the laser, spatial wavelength results showed a 30% increase compared to ethanol. The cleanliness of the surface generated using ethanol showed considerably less debris than in air. The results observed from the above investigation showed that the medium plays a predominant role in the generation of surface structures.

  18. Microphase separated structure and surface properties of fluorinated polyurethane resin

    International Nuclear Information System (INIS)

    Sudaryanto; Nishino, T.; Hori, Y.; Nakamae, K.

    2000-01-01

    The effect of fluorination on microphase separation and surface properties of segmented polyurethane (PU) resin were investigated. A series of fluorinated polyurethane resin (FPU) was synthesized by reacting a fluorinated diol with aromatic diisocyanate. The microphase separated structure of FPU was studied by thermal analysis, and small angle X-ray scattering (SAXS) as well as wide angle X-ray diffraction (WAXD). The surface structure and properties were characterized by X-ray photoelectron spectroscopy (XPS) and dynamic contact angle measurement. The incorporation of fluorine into hard segment brings the FPU to have a higher hard domain cohesion and increase the phase separation, however localization of fluorine on the surface could not be observed. On the other hands, localization of fluorine on the surface could be achieved for soft segment fluorinated PU without any significant change in microphase separated structure. The result from this study give an important basic information for designing PU coating material with a low surface energy and strong adhesion as well as for development of release film on pressure sensitive adhesive tape. (author)

  19. Sulfur-induced structural motifs on copper and gold surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Walen, Holly [Iowa State Univ., Ames, IA (United States)

    2016-01-01

    The interaction of sulfur with copper and gold surfaces plays a fundamental role in important phenomena that include coarsening of surface nanostructures, and self-assembly of alkanethiols. Here, we identify and analyze unique sulfur-induced structural motifs observed on the low-index surfaces of these two metals. We seek out these structures in an effort to better understand the fundamental interactions between these metals and sulfur that lends to the stability and favorability of metal-sulfur complexes vs. chemisorbed atomic sulfur. The experimental observations presented here—made under identical conditions—together with extensive DFT analyses, allow comparisons and insights into factors that favor the existence of metal-sulfur complexes, vs. chemisorbed atomic sulfur, on metal terraces. We believe this data will be instrumental in better understanding the complex phenomena occurring between the surfaces of coinage metals and sulfur.

  20. An Intelligent Method for Structural Reliability Analysis Based on Response Surface

    Institute of Scientific and Technical Information of China (English)

    桂劲松; 刘红; 康海贵

    2004-01-01

    As water depth increases, the structural safety and reliability of a system become more and more important and challenging. Therefore, the structural reliability method must be applied in ocean engineering design such as offshore platform design. If the performance function is known in structural reliability analysis, the first-order second-moment method is often used. If the performance function could not be definitely expressed, the response surface method is always used because it has a very clear train of thought and simple programming. However, the traditional response surface method fits the response surface of quadratic polynomials where the problem of accuracy could not be solved, because the true limit state surface can be fitted well only in the area near the checking point. In this paper, an intelligent computing method based on the whole response surface is proposed, which can be used for the situation where the performance function could not be definitely expressed in structural reliability analysis. In this method, a response surface of the fuzzy neural network for the whole area should be constructed first, and then the structural reliability can be calculated by the genetic algorithm. In the proposed method, all the sample points for the training network come from the whole area, so the true limit state surface in the whole area can be fitted. Through calculational examples and comparative analysis, it can be known that the proposed method is much better than the traditional response surface method of quadratic polynomials, because, the amount of calculation of finite element analysis is largely reduced, the accuracy of calculation is improved,and the true limit state surface can be fitted very well in the whole area. So, the method proposed in this paper is suitable for engineering application.

  1. Segregation and stability at Pt3Ni(1 1 1) surfaces and Pt75Ni25 nanoparticles

    International Nuclear Information System (INIS)

    Fowler, Ben; Lucas, Christopher A.; Omer, Ahmed; Wang, Guofeng; Stamenkovic, Vojislav R.; Markovic, Nenad M.

    2008-01-01

    Using in situ surface X-ray diffraction we have determined the atomic structure and stability of a Pt 3 Ni(1 1 1) surface in the electrochemical environment. Surface segregation leads to a pure Pt(1 1 1) skin with enrichment of Ni in the sub-surface atomic layer that determines the surface electronic structure. The Pt-skin surface exhibits inward relaxation upon the adsorption of oxygenated species and this explains the surface stability compared to pure Pt(1 1 1). Using Monte Carlo calculations it is shown that nanoparticles with the same surface composition and stochiometry are energetically stable

  2. Architectural Surfaces and Structures from Circular Arcs

    KAUST Repository

    Shi, Ling

    2013-01-01

    the most attention from geometry researchers. In this thesis, we aim to realize this process with simple geometric primitives, circular arcs. We investigate architectural surfaces and structures consisting of circular arcs. Our focus is lying on how

  3. Use of low energy alkali ion scattering as a probe of surface structure

    International Nuclear Information System (INIS)

    Overbury, S.H.

    1986-01-01

    An overview is given of the use of low energy ion scattering as a probe of surface structure with emphasis on work done using alkali ions. Various schemes for extracting structural information from the ion energy and angle distributions are discussed in terms of advantages and disadvantages of each. The scattering potential which is the primary non-structural parameter needed for analysis, is discussed in terms of recent experimental results. The structure of clean and reconstructed surfaces are discussed, with examples of measurements of layer relaxations on the Mo(111) surface and missing row reconstructions on the Au(110) and Pt(110) surfaces. Studies of adsorbate covered surfaces are presented with respect to location of the adsorbate and its effect on the structure of the underlying substrate. Finally, examples are given which demonstrate the sensitivity of ion scattering to surface defects and disordering on reconstructed Au(110) and Pt(110) surfaces and unreconstructed Mo(111) surfaces, and to ordering of adsorbates on Mo(001). 47 refs., 12 figs

  4. Effect of atomic layer deposition coatings on the surface structure of anodic aluminum oxide membranes.

    Science.gov (United States)

    Xiong, Guang; Elam, Jeffrey W; Feng, Hao; Han, Catherine Y; Wang, Hsien-Hau; Iton, Lennox E; Curtiss, Larry A; Pellin, Michael J; Kung, Mayfair; Kung, Harold; Stair, Peter C

    2005-07-28

    Anodic aluminum oxide (AAO) membranes were characterized by UV Raman and FT-IR spectroscopies before and after coating the entire surface (including the interior pore walls) of the AAO membranes by atomic layer deposition (ALD). UV Raman reveals the presence of aluminum oxalate in bulk AAO, both before and after ALD coating with Al2O3, because of acid anion incorporation during the anodization process used to produce AAO membranes. The aluminum oxalate in AAO exhibits remarkable thermal stability, not totally decomposing in air until exposed to a temperature >900 degrees C. ALD was used to cover the surface of AAO with either Al2O3 or TiO2. Uncoated AAO have FT-IR spectra with two separate types of OH stretches that can be assigned to isolated OH groups and hydrogen-bonded surface OH groups, respectively. In contrast, AAO surfaces coated by ALD with Al2O3 display a single, broad band of hydrogen-bonded OH groups. AAO substrates coated with TiO2 show a more complicated behavior. UV Raman results show that very thin TiO2 coatings (1 nm) are not stable upon annealing to 500 degrees C. In contrast, thicker coatings can totally cover the contaminated alumina surface and are stable at temperatures in excess of 500 degrees C.

  5. Thermodynamic analysis on an anisotropically superhydrophobic surface with a hierarchical structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Jieliang [Division of Intelligent and Biomechanical Systems, State Key Laboratory of Tribology, Tsinghua University, Room 3407, Building 9003, 100084 Beijing (China); Su, Zhengliang [Division of Intelligent and Biomechanical Systems, State Key Laboratory of Tribology, Tsinghua University, Room 3407, Building 9003, 100084 Beijing (China); Department of Automotive Engineering, Tsinghua University, Beijing 100084 (China); Yan, Shaoze, E-mail: yansz@mail.tsinghua.edu.cn [Division of Intelligent and Biomechanical Systems, State Key Laboratory of Tribology, Tsinghua University, Room 3407, Building 9003, 100084 Beijing (China)

    2015-12-01

    Graphical abstract: - Highlights: • We model the superhydrophobic surface with anisotropic and hierarchical structure. • Anisotropic wetting only shows in noncomposite state (not in composite state). • Transition from noncomposite to composite state on dual-scale structure is hard. • Droplets tend to roll in the particular direction. • Droplets tend to stably remain in one preferred thermodynamic state. - Abstract: Superhydrophobic surfaces, which refer to the surfaces with contact angle higher than 150° and hysteresis less than 10°, have been reported in various studies. However, studies on the superhydrophobicity of anisotropic, hierarchical surfaces are limited and the corresponding thermodynamic mechanisms could not be explained thoroughly. Here we propose a simplified surface model of anisotropic patterned surface with dual scale roughness. Based on the thermodynamic method, we calculate the equilibrium contact angle (ECA) and the contact angle hysteresis (CAH) on the given surface. We show here that the hierarchical structure has much better anisotropic wetting properties than the single-scale one, and the results shed light on the potential application in controllable micro-/nano-fluidic systems. Our studies can be potentially applied for the fabrication of anisotropically superhydrophobic surfaces.

  6. Algorithms for singularities and real structures of weak Del Pezzo surfaces

    KAUST Repository

    Lubbes, Niels

    2014-08-01

    In this paper, we consider the classification of singularities [P. Du Val, On isolated singularities of surfaces which do not affect the conditions of adjunction. I, II, III, Proc. Camb. Philos. Soc. 30 (1934) 453-491] and real structures [C. T. C. Wall, Real forms of smooth del Pezzo surfaces, J. Reine Angew. Math. 1987(375/376) (1987) 47-66, ISSN 0075-4102] of weak Del Pezzo surfaces from an algorithmic point of view. It is well-known that the singularities of weak Del Pezzo surfaces correspond to root subsystems. We present an algorithm which computes the classification of these root subsystems. We represent equivalence classes of root subsystems by unique labels. These labels allow us to construct examples of weak Del Pezzo surfaces with the corresponding singularity configuration. Equivalence classes of real structures of weak Del Pezzo surfaces are also represented by root subsystems. We present an algorithm which computes the classification of real structures. This leads to an alternative proof of the known classification for Del Pezzo surfaces and extends this classification to singular weak Del Pezzo surfaces. As an application we classify families of real conics on cyclides. © World Scientific Publishing Company.

  7. Thermodynamic analysis on an anisotropically superhydrophobic surface with a hierarchical structure

    International Nuclear Information System (INIS)

    Zhao, Jieliang; Su, Zhengliang; Yan, Shaoze

    2015-01-01

    Graphical abstract: - Highlights: • We model the superhydrophobic surface with anisotropic and hierarchical structure. • Anisotropic wetting only shows in noncomposite state (not in composite state). • Transition from noncomposite to composite state on dual-scale structure is hard. • Droplets tend to roll in the particular direction. • Droplets tend to stably remain in one preferred thermodynamic state. - Abstract: Superhydrophobic surfaces, which refer to the surfaces with contact angle higher than 150° and hysteresis less than 10°, have been reported in various studies. However, studies on the superhydrophobicity of anisotropic, hierarchical surfaces are limited and the corresponding thermodynamic mechanisms could not be explained thoroughly. Here we propose a simplified surface model of anisotropic patterned surface with dual scale roughness. Based on the thermodynamic method, we calculate the equilibrium contact angle (ECA) and the contact angle hysteresis (CAH) on the given surface. We show here that the hierarchical structure has much better anisotropic wetting properties than the single-scale one, and the results shed light on the potential application in controllable micro-/nano-fluidic systems. Our studies can be potentially applied for the fabrication of anisotropically superhydrophobic surfaces.

  8. The role of original surface roughness in laser-induced periodic surface structure formation process on poly-carbonate films

    International Nuclear Information System (INIS)

    Csete, M.; Hild, S.; Plettl, A.; Ziemann, P.; Bor, Zs.; Marti, O.

    2004-01-01

    Poly-carbonate films containing different types of original surface roughness were illuminated by a polarized ArF excimer laser beam having a fluence of 4 mJ/cm 2 . Atomic force microscopy was applied to study the laser-induced periodic surface structure formation process at 0 deg. , 30 deg. and 45 deg. angles of incidence. The effect of initial surface structures on the intensity distribution was investigated in cases of: (a) grains on oriented and amorphous thick films; (b) holes on thin spin-coated films; and (c) nanoparticles arranged along micrometer long sides of hexagons below the spin-coated films. The presence of the scattering objects caused symmetry breaking, if the samples were illuminated by oblique incident 's' polarized beam. The Fourier analysis of the AFM pictures has shown the competition of structures having different periods. The characteristic of the permanent surface patterns proved that the interference of the incoming beam and the beams scattered on previously existing structures is the LIPSS generating feedback process. Ring-shaped structures having 228 nm diameter were produced

  9. Methylammonium Bismuth Iodide as a Lead-Free, Stable Hybrid Organic-Inorganic Solar Absorber.

    Science.gov (United States)

    Hoye, Robert L Z; Brandt, Riley E; Osherov, Anna; Stevanović, Vladan; Stranks, Samuel D; Wilson, Mark W B; Kim, Hyunho; Akey, Austin J; Perkins, John D; Kurchin, Rachel C; Poindexter, Jeremy R; Wang, Evelyn N; Bawendi, Moungi G; Bulović, Vladimir; Buonassisi, Tonio

    2016-02-18

    Methylammonium lead halide (MAPbX3 ) perovskites exhibit exceptional carrier transport properties. But their commercial deployment as solar absorbers is currently limited by their intrinsic instability in the presence of humidity and their lead content. Guided by our theoretical predictions, we explored the potential of methylammonium bismuth iodide (MBI) as a solar absorber through detailed materials characterization. We synthesized phase-pure MBI by solution and vapor processing. In contrast to MAPbX3, MBI is air stable, forming a surface layer that does not increase the recombination rate. We found that MBI luminesces at room temperature, with the vapor-processed films exhibiting superior photoluminescence (PL) decay times that are promising for photovoltaic applications. The thermodynamic, electronic, and structural features of MBI that are amenable to these properties are also present in other hybrid ternary bismuth halide compounds. Through MBI, we demonstrate a lead-free and stable alternative to MAPbX3 that has a similar electronic structure and nanosecond lifetimes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Surface Chloride Levels in Colorado Structural Concrete

    Science.gov (United States)

    2018-01-01

    This project focused on the chloride-induced corrosion of reinforcing steel in structural concrete. The primary goal of this project is to analyze the surface chloride concentration level of the concrete bridge decks throughout Colorado. The study in...

  11. Improved protein surface comparison and application to low-resolution protein structure data

    Directory of Open Access Journals (Sweden)

    Kihara Daisuke

    2010-12-01

    Full Text Available Abstract Background Recent advancements of experimental techniques for determining protein tertiary structures raise significant challenges for protein bioinformatics. With the number of known structures of unknown function expanding at a rapid pace, an urgent task is to provide reliable clues to their biological function on a large scale. Conventional approaches for structure comparison are not suitable for a real-time database search due to their slow speed. Moreover, a new challenge has arisen from recent techniques such as electron microscopy (EM, which provide low-resolution structure data. Previously, we have introduced a method for protein surface shape representation using the 3D Zernike descriptors (3DZDs. The 3DZD enables fast structure database searches, taking advantage of its rotation invariance and compact representation. The search results of protein surface represented with the 3DZD has showngood agreement with the existing structure classifications, but some discrepancies were also observed. Results The three new surface representations of backbone atoms, originally devised all-atom-surface representation, and the combination of all-atom surface with the backbone representation are examined. All representations are encoded with the 3DZD. Also, we have investigated the applicability of the 3DZD for searching protein EM density maps of varying resolutions. The surface representations are evaluated on structure retrieval using two existing classifications, SCOP and the CE-based classification. Conclusions Overall, the 3DZDs representing backbone atoms show better retrieval performance than the original all-atom surface representation. The performance further improved when the two representations are combined. Moreover, we observed that the 3DZD is also powerful in comparing low-resolution structures obtained by electron microscopy.

  12. Improved protein surface comparison and application to low-resolution protein structure data.

    Science.gov (United States)

    Sael, Lee; Kihara, Daisuke

    2010-12-14

    Recent advancements of experimental techniques for determining protein tertiary structures raise significant challenges for protein bioinformatics. With the number of known structures of unknown function expanding at a rapid pace, an urgent task is to provide reliable clues to their biological function on a large scale. Conventional approaches for structure comparison are not suitable for a real-time database search due to their slow speed. Moreover, a new challenge has arisen from recent techniques such as electron microscopy (EM), which provide low-resolution structure data. Previously, we have introduced a method for protein surface shape representation using the 3D Zernike descriptors (3DZDs). The 3DZD enables fast structure database searches, taking advantage of its rotation invariance and compact representation. The search results of protein surface represented with the 3DZD has showngood agreement with the existing structure classifications, but some discrepancies were also observed. The three new surface representations of backbone atoms, originally devised all-atom-surface representation, and the combination of all-atom surface with the backbone representation are examined. All representations are encoded with the 3DZD. Also, we have investigated the applicability of the 3DZD for searching protein EM density maps of varying resolutions. The surface representations are evaluated on structure retrieval using two existing classifications, SCOP and the CE-based classification. Overall, the 3DZDs representing backbone atoms show better retrieval performance than the original all-atom surface representation. The performance further improved when the two representations are combined. Moreover, we observed that the 3DZD is also powerful in comparing low-resolution structures obtained by electron microscopy.

  13. Wetting and Dewetting Transitions on Submerged Superhydrophobic Surfaces with Hierarchical Structures.

    Science.gov (United States)

    Wu, Huaping; Yang, Zhe; Cao, Binbin; Zhang, Zheng; Zhu, Kai; Wu, Bingbing; Jiang, Shaofei; Chai, Guozhong

    2017-01-10

    The wetting transition on submersed superhydrophobic surfaces with hierarchical structures and the influence of trapped air on superhydrophobic stability are predicted based on the thermodynamics and mechanical analyses. The dewetting transition on the hierarchically structured surfaces is investigated, and two necessary thermodynamic conditions and a mechanical balance condition for dewetting transition are proposed. The corresponding thermodynamic phase diagram of reversible transition and the critical reversed pressure well explain the experimental results reported previously. Our theory provides a useful guideline for precise controlling of breaking down and recovering of superhydrophobicity by designing superhydrophobic surfaces with hierarchical structures under water.

  14. Reversible structural modulation of Fe-Pt bimetallic surfaces and its effect on reactivity.

    Science.gov (United States)

    Ma, Teng; Fu, Qiang; Su, Hai-Yan; Liu, Hong-Yang; Cui, Yi; Wang, Zhen; Mu, Ren-Tao; Li, Wei-Xue; Bao, Xin-He

    2009-05-11

    Tunable surface: The surface structure of the Fe-Pt bimetallic catalyst can be reversibly modulated between the iron-oxide-rich Pt surface and the Pt-skin structure with subsurface Fe via alternating reduction and oxidation treatments (see figure). The regenerated active Pt-skin structure is active in reactions involving CO and/or O.

  15. Structurally Deformed MoS2 for Electrochemically Stable, Thermally Resistant, and Highly Efficient Hydrogen Evolution Reaction

    KAUST Repository

    Chen, Yen-Chang; Lu, Ang-Yu; Lu, Ping; Yang, Xiulin; Jiang, Chang-Ming; Mariano, Marina; Kaehr, Brian; Lin, Oliver; Taylor, André ; Sharp, Ian D.; Li, Lain-Jong; Chou, Stanley S.; Tung, Vincent

    2017-01-01

    The emerging molybdenum disulfide (MoS2) offers intriguing possibilities for realizing a transformative new catalyst for driving the hydrogen evolution reaction (HER). However, the trade-off between catalytic activity and long-term stability represents a formidable challenge and has not been extensively addressed. This study reports that metastable and temperature-sensitive chemically exfoliated MoS2 (ce-MoS2) can be made into electrochemically stable (5000 cycles), and thermally robust (300 °C) while maintaining synthetic scalability and excellent catalytic activity through physical-transformation into 3D structurally deformed nanostructures. The dimensional transition enabled by a high throughput electrohydrodynamic process provides highly accessible, and electrochemically active surface area and facilitates efficient transport across various interfaces. Meanwhile, the hierarchically strained morphology is found to improve electronic coupling between active sites and current collecting substrates without the need for selective engineering the electronically heterogeneous interfaces. Specifically, the synergistic combination of high strain load stemmed from capillarity-induced-self-crumpling and sulfur (S) vacancies intrinsic to chemical exfoliation enables simultaneous modulation of active site density and intrinsic HER activity regardless of continuous operation or elevated temperature. These results provide new insights into how catalytic activity, electrochemical-, and thermal stability can be concurrently enhanced through the physical transformation that is reminiscent of nature, in which properties of biological materials emerge from evolved dimensional transitions.

  16. Structurally Deformed MoS2 for Electrochemically Stable, Thermally Resistant, and Highly Efficient Hydrogen Evolution Reaction

    KAUST Repository

    Chen, Yen-Chang

    2017-10-12

    The emerging molybdenum disulfide (MoS2) offers intriguing possibilities for realizing a transformative new catalyst for driving the hydrogen evolution reaction (HER). However, the trade-off between catalytic activity and long-term stability represents a formidable challenge and has not been extensively addressed. This study reports that metastable and temperature-sensitive chemically exfoliated MoS2 (ce-MoS2) can be made into electrochemically stable (5000 cycles), and thermally robust (300 °C) while maintaining synthetic scalability and excellent catalytic activity through physical-transformation into 3D structurally deformed nanostructures. The dimensional transition enabled by a high throughput electrohydrodynamic process provides highly accessible, and electrochemically active surface area and facilitates efficient transport across various interfaces. Meanwhile, the hierarchically strained morphology is found to improve electronic coupling between active sites and current collecting substrates without the need for selective engineering the electronically heterogeneous interfaces. Specifically, the synergistic combination of high strain load stemmed from capillarity-induced-self-crumpling and sulfur (S) vacancies intrinsic to chemical exfoliation enables simultaneous modulation of active site density and intrinsic HER activity regardless of continuous operation or elevated temperature. These results provide new insights into how catalytic activity, electrochemical-, and thermal stability can be concurrently enhanced through the physical transformation that is reminiscent of nature, in which properties of biological materials emerge from evolved dimensional transitions.

  17. Nanoscale array structures suitable for surface enhanced raman scattering and methods related thereto

    Science.gov (United States)

    Bond, Tiziana C; Miles, Robin; Davidson, James; Liu, Gang Logan

    2015-11-03

    Methods for fabricating nanoscale array structures suitable for surface enhanced Raman scattering, structures thus obtained, and methods to characterize the nanoscale array structures suitable for surface enhanced Raman scattering. Nanoscale array structures may comprise nanotrees, nanorecesses and tapered nanopillars.

  18. Nanoscale array structures suitable for surface enhanced raman scattering and methods related thereto

    Science.gov (United States)

    Bond, Tiziana C.; Miles, Robin; Davidson, James C.; Liu, Gang Logan

    2014-07-22

    Methods for fabricating nanoscale array structures suitable for surface enhanced Raman scattering, structures thus obtained, and methods to characterize the nanoscale array structures suitable for surface enhanced Raman scattering. Nanoscale array structures may comprise nanotrees, nanorecesses and tapered nanopillars.

  19. Nanoscale array structures suitable for surface enhanced raman scattering and methods related thereto

    Science.gov (United States)

    Bond, Tiziana C.; Miles, Robin; Davidson, James C.; Liu, Gang Logan

    2015-07-14

    Methods for fabricating nanoscale array structures suitable for surface enhanced Raman scattering, structures thus obtained, and methods to characterize the nanoscale array structures suitable for surface enhanced Raman scattering. Nanoscale array structures may comprise nanotrees, nanorecesses and tapered nanopillars.

  20. Structure of adsorbed monolayers. The surface chemical bond

    International Nuclear Information System (INIS)

    Somorjai, G.A.; Bent, B.E.

    1984-06-01

    This paper attempts to provide a summary of what has been learned about the structure of adsorbed monolayers and about the surface chemical bond from molecular surface science. While the surface chemical bond is less well understood than bonding of molecules in the gas phase or in the solid state, our knowledge of its properties is rapidly accumulating. The information obtained also has great impact on many surface science based technologies, including heterogeneous catalysis and electronic devices. It is hoped that much of the information obtained from studies at solid-gas interfaces can be correlated with molecular behavior at solid-liquid interfaces. 31 references, 42 figures, 1 table

  1. The crystal structure of Haloferax volcanii proliferating cell nuclear antigen reveals unique surface charge characteristics due to halophilic adaptation

    Directory of Open Access Journals (Sweden)

    Morroll Shaun

    2009-08-01

    Full Text Available Abstract Background The high intracellular salt concentration required to maintain a halophilic lifestyle poses challenges to haloarchaeal proteins that must stay soluble, stable and functional in this extreme environment. Proliferating cell nuclear antigen (PCNA is a fundamental protein involved in maintaining genome integrity, with roles in both DNA replication and repair. To investigate the halophilic adaptation of such a key protein we have crystallised and solved the structure of Haloferax volcanii PCNA (HvPCNA to a resolution of 2.0 Å. Results The overall architecture of HvPCNA is very similar to other known PCNAs, which are highly structurally conserved. Three commonly observed adaptations in halophilic proteins are higher surface acidity, bound ions and increased numbers of intermolecular ion pairs (in oligomeric proteins. HvPCNA possesses the former two adaptations but not the latter, despite functioning as a homotrimer. Strikingly, the positive surface charge considered key to PCNA's role as a sliding clamp is dramatically reduced in the halophilic protein. Instead, bound cations within the solvation shell of HvPCNA may permit sliding along negatively charged DNA by reducing electrostatic repulsion effects. Conclusion The extent to which individual proteins adapt to halophilic conditions varies, presumably due to their diverse characteristics and roles within the cell. The number of ion pairs observed in the HvPCNA monomer-monomer interface was unexpectedly low. This may reflect the fact that the trimer is intrinsically stable over a wide range of salt concentrations and therefore additional modifications for trimer maintenance in high salt conditions are not required. Halophilic proteins frequently bind anions and cations and in HvPCNA cation binding may compensate for the remarkable reduction in positive charge in the pore region, to facilitate functional interactions with DNA. In this way, HvPCNA may harness its environment as

  2. The crystal structure of Haloferax volcanii proliferating cell nuclear antigen reveals unique surface charge characteristics due to halophilic adaptation

    Science.gov (United States)

    Winter, Jody A; Christofi, Panayiotis; Morroll, Shaun; Bunting, Karen A

    2009-01-01

    Background The high intracellular salt concentration required to maintain a halophilic lifestyle poses challenges to haloarchaeal proteins that must stay soluble, stable and functional in this extreme environment. Proliferating cell nuclear antigen (PCNA) is a fundamental protein involved in maintaining genome integrity, with roles in both DNA replication and repair. To investigate the halophilic adaptation of such a key protein we have crystallised and solved the structure of Haloferax volcanii PCNA (HvPCNA) to a resolution of 2.0 Å. Results The overall architecture of HvPCNA is very similar to other known PCNAs, which are highly structurally conserved. Three commonly observed adaptations in halophilic proteins are higher surface acidity, bound ions and increased numbers of intermolecular ion pairs (in oligomeric proteins). HvPCNA possesses the former two adaptations but not the latter, despite functioning as a homotrimer. Strikingly, the positive surface charge considered key to PCNA's role as a sliding clamp is dramatically reduced in the halophilic protein. Instead, bound cations within the solvation shell of HvPCNA may permit sliding along negatively charged DNA by reducing electrostatic repulsion effects. Conclusion The extent to which individual proteins adapt to halophilic conditions varies, presumably due to their diverse characteristics and roles within the cell. The number of ion pairs observed in the HvPCNA monomer-monomer interface was unexpectedly low. This may reflect the fact that the trimer is intrinsically stable over a wide range of salt concentrations and therefore additional modifications for trimer maintenance in high salt conditions are not required. Halophilic proteins frequently bind anions and cations and in HvPCNA cation binding may compensate for the remarkable reduction in positive charge in the pore region, to facilitate functional interactions with DNA. In this way, HvPCNA may harness its environment as opposed to simply surviving in

  3. Surface complexation of carbonate on goethite: IR spectroscopy, structure & charge distribution

    NARCIS (Netherlands)

    Hiemstra, T.; Rahnemaie, R.; Riemsdijk, van W.H.

    2004-01-01

    The adsorption of carbonate on goethite has been evaluated, focussing on the relation between the structure of the surface complex and corresponding adsorption characteristics, like pH dependency and proton co-adsorption. The surface structure of adsorbed CO3-2 has been assessed with (1) a

  4. Craterlike structures on the laser cut surface

    Science.gov (United States)

    Shulyatyev, V. B.; Orishich, A. M.

    2017-10-01

    Analysis of the laser cut surface morphology remain topical. It is related with the fact that the surface roughness is the main index of the cut quality. The present paper deals with the experimental study of the relatively unstudied type of defects on the laser cut surface, dimples, or craters. According to the measurement results, amount of craters per unit of the laser cut surface area rises as the sheet thickness rises. The crater diameter rises together with the sheet thickness and distance from the upper sheet edge. The obtained data permit concluding that the defects like craters are observed predominantly in the case of thick sheets. The results agree with the hypothesis of crater formation as impact structures resulting from the melt drops getting on the cut channel walls upon separation from the cut front by the gas flow.

  5. Use of systematics in the interpretation of nuclear structure far from the beta-stable region

    International Nuclear Information System (INIS)

    Wood, J.L.

    1979-01-01

    The use of systematics in the interpretation of nuclear structure far from the beta-stable region is discussed. In particular, a set of rules for the use of systematics is presented together with some experimental criteria that need to be fulfilled for radioactive decay scheme studies in order that all states up to a given spin-parity and energy are located. Illustrative examples are taken from the region 180 < A < 210, with particular emphasis on the odd-mass Au and Hg nuclei. 6 figures

  6. Nanofluidic structures with complex three-dimensional surfaces

    International Nuclear Information System (INIS)

    Stavis, Samuel M; Gaitan, Michael; Strychalski, Elizabeth A

    2009-01-01

    Nanofluidic devices have typically explored a design space of patterns limited by a single nanoscale structure depth. A method is presented here for fabricating nanofluidic structures with complex three-dimensional (3D) surfaces, utilizing a single layer of grayscale photolithography and standard integrated circuit manufacturing tools. This method is applied to construct nanofluidic devices with numerous (30) structure depths controlled from ∼10 to ∼620 nm with an average standard deviation of 1 cm. A prototype 3D nanofluidic device is demonstrated that implements size exclusion of rigid nanoparticles and variable nanoscale confinement and deformation of biomolecules.

  7. Mesoscopic modeling of structural and thermodynamic properties of fluids confined by rough surfaces.

    Science.gov (United States)

    Terrón-Mejía, Ketzasmin A; López-Rendón, Roberto; Gama Goicochea, Armando

    2015-10-21

    The interfacial and structural properties of fluids confined by surfaces of different geometries are studied at the mesoscopic scale using dissipative particle dynamics simulations in the grand canonical ensemble. The structure of the surfaces is modeled by a simple function, which allows us to simulate readily different types of surfaces through the choice of three parameters only. The fluids we have modeled are confined either by two smooth surfaces or by symmetrically and asymmetrically structured walls. We calculate structural and thermodynamic properties such as the density, temperature and pressure profiles, as well as the interfacial tension profiles for each case and find that a structural order-disorder phase transition occurs as the degree of surface roughness increases. However, the magnitude of the interfacial tension is insensitive to the structuring of the surfaces and depends solely on the magnitude of the solid-fluid interaction. These results are important for modern nanotechnology applications, such as in the enhanced recovery of oil, and in the design of porous materials with specifically tailored properties.

  8. Analysis of pushing exercises: muscle activity and spine load while contrasting techniques on stable surfaces with a labile suspension strap training system.

    Science.gov (United States)

    McGill, Stuart M; Cannon, Jordan; Andersen, Jordan T

    2014-01-01

    Labile surfaces in the form of suspension straps are increasingly being used as a tool in resistance training programs. Pushing is a common functional activity of daily living and inherently part of a well-rounded training program. This study examined pushing exercises performed on stable surfaces and unstable suspension straps, specifically muscle activation levels and spine loads were quantified together with the influence of employing technique coaching. There were several main questions that this study sought to answer: Which exercises challenged particular muscles? What was the magnitude of the resulting spine load? How did stable and unstable surfaces differ? Did coaching influence the results? Fourteen men were recruited as part of a convenience sample (mean age, 21.1 ± 2.0 years; height, 1.77 ± 0.06 m; mean weight, 74.6 ± 7.8 kg). Data were processed and input to a sophisticated and anatomically detailed 3D model that used muscle activity and body segment kinematics to estimate muscle force-in this way, the model was sensitive to the individuals choice of motor control for each task; muscle forces and linked segment joint loads were used to calculate spine loads. Exercises were performed using stable surfaces for hand/feet contact and repeated where possible with labile suspension straps. Speed of movement was standardized across participants with the use of a metronome for each exercise. There were gradations of muscle activity and spine load characteristics to every task. In general, the instability associated with the labile exercises required greater torso muscle activity than when performed on stable surfaces. Throughout the duration of an exercise, there was a range of compression; the TRX push-up ranged from 1,653 to 2,128.14 N, whereas the standard push-up had a range from 1,233.75 to 1,530.06 N. There was no significant effect of exercise on spine compression (F(4,60) = 0.86, p = 0.495). Interestingly, a standard push-up showed significantly

  9. Analysis of the skin surface and inner structure around pores on the face.

    Science.gov (United States)

    Mizukoshi, Koji; Takahashi, Kazuhiro

    2014-02-01

    Facial pores do not appear to close again in old skin. Therefore, the tissue structure around the pore has been speculated to keep the pore open. To elucidate the reason for pore enlargement, we examined the relationship between the skin surface and inner skin structural characteristics in the same regions especially around the pore. Samples of the skin surface were obtained from the cheek and examined using a laser image processor to obtain three-dimensional (3D) data. The inner structure of the skin was analyzed using in vivo confocal laser scanning microscopy (CLSM). The conspicuous pore not only had a concave structure but also a discontinuous convex structure on the skin surface surrounding the pore. Furthermore, CLSM image indicated that the skin inner structure developed a discontinuous dermal papilla structure and isotropic dermal fiber structure. There were structural changes in the skin surface around conspicuous pores, including not only a concave structure but also a convex structure with skin inner structure changing. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  10. Studies on electronic structure of GaN(0001) surface

    CERN Document Server

    Xie Chang Kun; Xu Fa Qiang; Deng Rui; Liu Feng; Yibulaxin, K

    2002-01-01

    An electronic structure investigation on GaN(0001) is reported. The authors employ a full-potential linearized augmented plane-wave (FPLAPW) approach to calculate the partial density of state, which is in agreement with previous experimental results. The effects of the Ga3d semi-core levels on the electronic structure of GaN are discussed. The valence-electronic structure of the wurtzite GaN(0001) surface is investigated using synchrotron radiation excited angle-resolved photoemission spectroscopy. The bulk bands dispersion along GAMMA A direction in the Brillouin zones is measured using normal-emission spectra by changing photon-energy. The band structure derived from authors' experimental data is compared well with the results of authors' FPLAPW calculation. Furthermore, off-normal emission spectra are also measured along the GAMMA K and GAMMA M directions. Two surface states are identified, and their dispersions are characterized

  11. The free radical process for the polymer surface treated by radio frequency plasma

    International Nuclear Information System (INIS)

    Ma Yuguang; Yang Meiling; Shen Jiacong; Zheng Yingguang

    1992-01-01

    The formation and translation of the free radicals on the polymer surface treated by plasmas were studied and observed by ESR measurement. The results show that C-C bond split was main reaction in the process of the polymer irradiated by plasma, by which a stable alkyl free radical was formed. When alkyl free radical contacted with air, they translate into peroxide radical instantaneously. The peroxide radical was not as stable as radical in vacuum, they can react each other to form some polar-groups on polymer surface. The interaction between the peroxide free radical and polymer chain was correlative not only to the structure of polymer but also to the molecular motion of the polymer chain. The nature of plasma treating polymer surface was that the peroxide radicals were led onto polymer surface

  12. Stable carbon isotope analysis of fluvial sediment fluxes over two contrasting C(4) -C(3) semi-arid vegetation transitions.

    Science.gov (United States)

    Puttock, Alan; Dungait, Jennifer A J; Bol, Roland; Dixon, Elizabeth R; Macleod, Christopher J A; Brazier, Richard E

    2012-10-30

    Globally, many drylands are experiencing the encroachment of woody vegetation into grasslands. These changes in ecosystem structure and processes can result in increased sediment and nutrient fluxes due to fluvial erosion. As these changes are often accompanied by a shift from C(4) to C(3) vegetation with characteristic δ(13) C values, stable isotope analysis provides a promising mechanism for tracing these fluxes. Input vegetation, surface sediment and fluvially eroded sediment samples were collected across two contrasting C(4) -C(3) dryland vegetation transitions in New Mexico, USA. Isotope ratio mass spectrometric analyses were performed using a Carlo Erba NA2000 analyser interfaced to a SerCon 20-22 isotope ratio mass spectrometer to determine bulk δ(13) C values. Stable isotope analyses of contemporary input vegetation and surface sediments over the monitored transitions showed significant differences (p fluvially eroded sediment from each of the sites, with no significant variation between surface sediment and eroded sediment values. The significant differences in bulk δ(13) C values between sites were dependent on vegetation input. Importantly, these values were robustly expressed in fluvially eroded sediments, suggesting that stable isotope analysis is suitable for tracing sediment fluxes. Due to the prevalent nature of these dryland vegetation transitions in the USA and globally, further development of stable isotope ratio mass spectrometry has provided a valuable tool for enhanced understanding of functional changes in these ecosystems. Copyright © 2012 John Wiley & Sons, Ltd.

  13. Fast protein tertiary structure retrieval based on global surface shape similarity.

    Science.gov (United States)

    Sael, Lee; Li, Bin; La, David; Fang, Yi; Ramani, Karthik; Rustamov, Raif; Kihara, Daisuke

    2008-09-01

    Characterization and identification of similar tertiary structure of proteins provides rich information for investigating function and evolution. The importance of structure similarity searches is increasing as structure databases continue to expand, partly due to the structural genomics projects. A crucial drawback of conventional protein structure comparison methods, which compare structures by their main-chain orientation or the spatial arrangement of secondary structure, is that a database search is too slow to be done in real-time. Here we introduce a global surface shape representation by three-dimensional (3D) Zernike descriptors, which represent a protein structure compactly as a series expansion of 3D functions. With this simplified representation, the search speed against a few thousand structures takes less than a minute. To investigate the agreement between surface representation defined by 3D Zernike descriptor and conventional main-chain based representation, a benchmark was performed against a protein classification generated by the combinatorial extension algorithm. Despite the different representation, 3D Zernike descriptor retrieved proteins of the same conformation defined by combinatorial extension in 89.6% of the cases within the top five closest structures. The real-time protein structure search by 3D Zernike descriptor will open up new possibility of large-scale global and local protein surface shape comparison. 2008 Wiley-Liss, Inc.

  14. On the interaction of Rayleigh surface waves with structures

    International Nuclear Information System (INIS)

    Simpson, I.C.

    1976-12-01

    A two-dimensional soil-structure interaction analysis is carried out for transient Rayleigh surface waves that are incident on a structure. The structure is modelled by a three-degree of freedom rigid basemat to which is attached a flexible superstructure, modelled by a single mass-spring system. The structural responses to a given Rayleigh wave train are compared with those that would have been obtained if the free-field acceleration-time history had been applied as a normally incident body wave. The results clearly exhibit the 'frequency filtering' effects of the rigid basemat on the incident Rayleigh waves. It is shown that, if seismic excitation of a structure is, in fact, due to Rayleigh surface waves, then an analysis assuming normally incident body waves can considerably over-estimate structural response, both at basemat level for horizontal and vertical oscillations of the superstructure. However, in the examples considered here, relatively large rocking effects were induced by the Rayleigh waves, thus giving maximum horizontal accelerations in the superstructure that were of comparable magnitude for Rayleigh and normally incident body waves. (author)

  15. Detection of stable community structures within gut microbiota co-occurrence networks from different human populations.

    Science.gov (United States)

    Jackson, Matthew A; Bonder, Marc Jan; Kuncheva, Zhana; Zierer, Jonas; Fu, Jingyuan; Kurilshikov, Alexander; Wijmenga, Cisca; Zhernakova, Alexandra; Bell, Jordana T; Spector, Tim D; Steves, Claire J

    2018-01-01

    Microbes in the gut microbiome form sub-communities based on shared niche specialisations and specific interactions between individual taxa. The inter-microbial relationships that define these communities can be inferred from the co-occurrence of taxa across multiple samples. Here, we present an approach to identify comparable communities within different gut microbiota co-occurrence networks, and demonstrate its use by comparing the gut microbiota community structures of three geographically diverse populations. We combine gut microbiota profiles from 2,764 British, 1,023 Dutch, and 639 Israeli individuals, derive co-occurrence networks between their operational taxonomic units, and detect comparable communities within them. Comparing populations we find that community structure is significantly more similar between datasets than expected by chance. Mapping communities across the datasets, we also show that communities can have similar associations to host phenotypes in different populations. This study shows that the community structure within the gut microbiota is stable across populations, and describes a novel approach that facilitates comparative community-centric microbiome analyses.

  16. Tailored optical vector fields for ultrashort-pulse laser induced complex surface plasmon structuring.

    Science.gov (United States)

    Ouyang, J; Perrie, W; Allegre, O J; Heil, T; Jin, Y; Fearon, E; Eckford, D; Edwardson, S P; Dearden, G

    2015-05-18

    Precise tailoring of optical vector beams is demonstrated, shaping their focal electric fields and used to create complex laser micro-patterning on a metal surface. A Spatial Light Modulator (SLM) and a micro-structured S-waveplate were integrated with a picosecond laser system and employed to structure the vector fields into radial and azimuthal polarizations with and without a vortex phase wavefront as well as superposition states. Imprinting Laser Induced Periodic Surface Structures (LIPSS) elucidates the detailed vector fields around the focal region. In addition to clear azimuthal and radial plasmon surface structures, unique, variable logarithmic spiral micro-structures with a pitch Λ ∼1μm, not observed previously, were imprinted on the surface, confirming unambiguously the complex 2D focal electric fields. We show clearly also how the Orbital Angular Momentum(OAM) associated with a helical wavefront induces rotation of vector fields along the optic axis of a focusing lens and confirmed by the observed surface micro-structures.

  17. SGFM applied to the calculation of surface band structure of V

    International Nuclear Information System (INIS)

    Baquero, R.; Velasco, V.R.; Garcia Moliner, F.

    1986-07-01

    The surface Green function matching (SGFM) method has been developed recently to deal with a great variety of problems in a unified way. The method was first developed for continuum systems. The recent advances for discrete structures can deal with surfaces, interfaces, quantum wells, superlattices, intercalated layered compounds, and other systems. Several applications of this formalism are being carried out. In the present note we will describe how the formalism applies to the calculation of the electronic surface band structure of vanadium which is a quite interesting transition metal with very active magnetic properties at the surface, in particular at the (100) surface. It is straightforward, on the basis of the calculation presented here, to obtain the magnetic moment on the surface, for example, through the method followed by G. Allan or the surface paramagnon density which should be particularly enhanced at this surface as compared to the bulk

  18. Stable electroluminescence from passivated nano-crystalline porous silicon using undecylenic acid

    Energy Technology Data Exchange (ETDEWEB)

    Gelloz, B.; Sano, H.; Koshida, N. [Dept. Elec. and Elec. Eng., Tokyo Univ. of A and T, Koganei, Tokyo 184-8588 (Japan); Boukherroub, R. [Laboratoire de Physique de la Matiere Condensee, Ecole Polytechnique, Route de Saclay, 91128 Palaiseau (France); Wayner, D.D.M.; Lockwood, D.J. [National Research Council, Ottawa (Canada)

    2005-06-01

    Stabilization of electroluminescence from nanocrystalline porous silicon diodes has been achieved by replacing silicon-hydrogen bonds terminating the surface of nanocrystalline silicon with more stable silicon-carbon (Si-C) bonds. Hydrosilylation of the surface of partially and anodically oxidized porous silicon samples was thermally induced at about 90 C using various different organic molecules. Devices whose surface have been modified with stable covalent bonds shows no degradation in the EL efficiency and EL output intensity under DC operation for several hours. The enhanced stability can be attributed to the high chemical resistance of Si-C bonds against current-induced surface oxidation associated with the generation of nonradiative defects. Although devices treated with 1-decene exhibit reduced EL efficiency and brightness compared to untreated devices, other molecules, such as ethyl-undecylenate and particularly undecylenic acid provide stable and more efficient visible electroluminescence at room temperature. Undecylenic acid provides EL brightness as high as that of an untreated device. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. A new concept for active bistable twisting structures

    Science.gov (United States)

    Schultz, Marc R.

    2005-05-01

    A novel type of morphing structure capable of a large change in shape with a small energy input is discussed in this paper. The considered structures consist of two curved shells that are joined in a specific manner to form a bistable airfoil-like structure. The two stable shapes have a difference in axial twist, and the structure may be transformed between the stable shapes by a simple snap-through action. The benefit of a bistable structure of this type is that, if the stable shapes are operational shapes, power is needed only to transform the structure from one shape to another. The discussed structures could be used in aerodynamic applications such as morphing wings, or as aerodynamic control surfaces. The investigation discussed in this paper considers both experiment and finite-element analysis. Several graphite-epoxy composite and one steel device were created as proof-of-concept models. To demonstrate active control of these structures, piezocomposite actuators were applied to one of the composite structures and used to transform the structure between stable shapes. The analysis was used to compare the predicted shapes with the experimental shapes, and to study how changes to the geometric input values affected the shape and operational characteristics of the structures. The predicted shapes showed excellent agreement with the experimental shapes, and the results of the parametric study suggest that the shapes and the snap-through characteristics can be easily tailored to meet specific needs.

  20. Atomic structure of the SbCu surface alloy: A surface X-ray diffraction study

    DEFF Research Database (Denmark)

    Meunier, I.; Gay, J.M.; Lapena, L.

    1999-01-01

    The dissolution at 400 degrees C of an antimony layer deposited at room temperature on a Cu(111) substrate leads to a surface alloy with a p(root 3x root 3)R 30 degrees x 30 degrees superstructure and a Sb composition of 1/3.We present here a structural study of this Sb-Cu compound by surface X...

  1. Structural and vibrational studies of clean and chemisorbed metal surfaces

    International Nuclear Information System (INIS)

    Jiang, Qing-Tang.

    1992-01-01

    Using Medium Energy Ion Scattering, we have studied the structural and vibrational properties of a number of clean and chemisorbed metal surfaces. The work presented in this thesis is mainly of a fundamental nature. However, it is believed that an atomistic understanding of the forces that affect surface structural and vibrational properties can have a beneficial impact on a large number of areas of applied nature. We find that the surface structure of Cu(001) follows the common trend for metal surfaces, where a small oscillatory relaxation exists beginning with a slight contraction in the top layer. In addition, the surface vibrational amplitude is enhanced (as s usually the case) by ∼80%. A detailed analysis of our data shows an unexpected anisotropy of the vibrational amplitude, such that the out-of-plane vibrational amplitude is 30% smaller than the in-plane vibrational amplitude. The unexpected results may imply a large tensile stress on Cu(001). Upon adsorption of 1/4 of a monolayer of S, a p(2 x 2)-S/Cu(001) surface is created. This submonolayer amount of S atoms makes the surface bulk-like, in which the anisotropy of the surface vibrations is removed and the first interlayer contraction is lifted. By comparing our model to earlier contradictory results on this controversial system. We find excellent agreement with a recent LEED study. The presence of 0.1 monolayer of Ca atoms on the Au(113) surface induces a drastic atomic rearrangements, in which half of the top layer Au atoms are missing and a (1 x 2) symmetry results. In addition, the first interlayer spacing of Au(113) is significantly reduced. Our results are discussed in terms of the energy balance between competing surface electronic charge densities

  2. Biomimetic spiral grating for stable and highly efficient absorption in crystalline silicon thin-film solar cells

    KAUST Repository

    Hou, Jin; Hong, Wei; Li, Xiaohang; Yang, Chunyong; Chen, Shaoping

    2017-01-01

    By emulating the phyllotaxis structure of natural plants, which has an efficient and stable light capture capability, a two-dimensional spiral grating is introduced on the surface of crystalline silicon solar cells to obtain both efficient and stable light absorption. Using the rigorous coupled wave analysis method, the absorption performance on structural parameter variations of spiral gratings is investigated firstly. Owing to diffraction resonance and excellent superficies antireflection, the integrated absorption of the optimal spiral grating cell is raised by about 77 percent compared with the conventional slab cell. Moreover, though a 15 percent deviation of structural parameters from the optimal spiral grating is applied, only a 5 percent decrease of the absorption is observed. This reveals that the performance of the proposed grating would tolerate large structural variations. Furthermore, the angular and polarization dependence on the absorption of the optimized cell is studied. For average polarizations, a small decrease of only 11 percent from the maximum absorption is observed within an incident angle ranging from −70 to 70 degrees. The results show promising application potentials of the biomimetic spiral grating in the solar cell.

  3. Biomimetic spiral grating for stable and highly efficient absorption in crystalline silicon thin-film solar cells

    KAUST Repository

    Hou, Jin

    2017-09-12

    By emulating the phyllotaxis structure of natural plants, which has an efficient and stable light capture capability, a two-dimensional spiral grating is introduced on the surface of crystalline silicon solar cells to obtain both efficient and stable light absorption. Using the rigorous coupled wave analysis method, the absorption performance on structural parameter variations of spiral gratings is investigated firstly. Owing to diffraction resonance and excellent superficies antireflection, the integrated absorption of the optimal spiral grating cell is raised by about 77 percent compared with the conventional slab cell. Moreover, though a 15 percent deviation of structural parameters from the optimal spiral grating is applied, only a 5 percent decrease of the absorption is observed. This reveals that the performance of the proposed grating would tolerate large structural variations. Furthermore, the angular and polarization dependence on the absorption of the optimized cell is studied. For average polarizations, a small decrease of only 11 percent from the maximum absorption is observed within an incident angle ranging from −70 to 70 degrees. The results show promising application potentials of the biomimetic spiral grating in the solar cell.

  4. Changes in surface properties caused by ion implantation

    International Nuclear Information System (INIS)

    Iwaki, Masaya

    1987-01-01

    This report outlines various aspects of ion implantation. Major features of ion implantation are described first, focusing on the structure of ion implantation equipment and some experimental results of ion implantation into semiconductors. Distribution of components in ion-implantated layers is then discussed. The two major features of ion implantation in relation to the distribution of implanted ions are: (1) high controllability of addition of ions to a surface layer and (2) formation of a large number of lattice defects in a short period of time. Application of ion implantation to metallic materials is expected to permit the following: (1) formation of a semi-stable alloy surface layer by metallic ion implantation, (2) formation of a semi-stable ceramic surface layer or buried layer by non-metallic ion implantation, and (3) formation of a buried layer by combined implementation of a different metallic ion and non-metallic ion. Ion implantation in carbon materials, polymers and ceramics is discussed next. The last part of the report is dedicated to macroscopic properties of an ion-implanted layer, centering on surface modification, formation of a conductive surface layer, and tribology. (Nogami, K.) 60 refs

  5. Iron oxide surfaces

    Science.gov (United States)

    Parkinson, Gareth S.

    2016-03-01

    known with a high degree of precision and the major defects and properties are well characterised. A major factor in this is that a termination at the Feoct-O plane can be reproducibly prepared by a variety of methods, as long as the surface is annealed in 10-7-10-5 mbar O2 in the final stage of preparation. Such straightforward preparation of a monophase termination is generally not the case for iron oxide surfaces. All available evidence suggests the oft-studied (√2×√2)R45° reconstruction results from a rearrangement of the cation lattice in the outermost unit cell in which two octahedral cations are replaced by one tetrahedral interstitial, a motif conceptually similar to well-known Koch-Cohen defects in Fe1-xO. The cation deficiency results in Fe11O16 stoichiometry, which is in line with the chemical potential in ultra-high vacuum (UHV), which is close to the border between the Fe3O4 and Fe2O3 phases. The Fe3O4(111) surface is also much studied, but two different surface terminations exist close in energy and can coexist, which makes sample preparation and data interpretation somewhat tricky. Both the Fe3O4(100) and Fe3O4(111) surfaces exhibit Fe-rich terminations as the sample selvedge becomes reduced. The Fe3O4(110) surface forms a one-dimensional (1×3) reconstruction linked to nanofaceting, which exposes the more stable Fe3O4(111) surface. α-Fe2O3(0001) is the most studied haematite surface, but difficulties preparing stoichiometric surfaces under UHV conditions have hampered a definitive determination of the structure. There is evidence for at least three terminations: a bulk-like termination at the oxygen plane, a termination with half of the cation layer, and a termination with ferryl groups. When the surface is reduced the so-called "bi-phase" structure is formed, which eventually transforms to a Fe3O4(111)-like termination. The structure of the bi-phase surface is controversial; a largely accepted model of coexisting Fe1-xO and α-Fe2O3(0001) islands

  6. Stable propagation of interacting crack systems and modeling of damage

    International Nuclear Information System (INIS)

    Bazant, Z.P.; Tabbara, M.R.

    1989-01-01

    This paper presents general thermodynamic criteria for the stable states and stable path of structures with an interacting system of cracks. In combination with numerical finite element results for various cracked structure geometries, these criteria indicate that the crack response path of structures may exhibit bifurcations, after which the symmetry of the crack system is broken and some cracks grow preferentially. The problem is of interest for the prediction of ultimate loads, ductility and energy absorption capability of nuclear concrete structures as well as structures made of composites and ceramics

  7. Evaluation of surface-wave waveform modeling for lithosphere velocity structure

    Science.gov (United States)

    Chang, Tao-Ming

    Surface-waveform modeling methods will become standard tools for studying the lithosphere structures because they can place greater constraints on earth structure and because of interest in the three-dimensional earth. The purpose of this study is to begin to learn the applicabilities and limitations of these methods. A surface-waveform inversion method is implemented using generalized seismological data functional theory. The method has been tested using synthetic and real seismic data and show that this method is well suited for teleseismic and regional seismograms. Like other linear inversion problems, this method also requires a good starting model. To ease reliance on good starting models, a global search technique, the genetic algorithm, has been applied to surface waveform modeling. This method can rapidly find good models for explaining surface-wave waveform at regional distance. However, this implementation also reveals that criteria which are widely used in seismological studies are not good enough to indicate the goodness of waveform fit. These two methods with the linear waveform inversion method, and traditional surface wave dispersion inversion method have been applied to a western Texas earthquake to test their abilities. The focal mechanism of the Texas event has been reestimated using a grid search for surface wave spectral amplitudes. A comparison of these four algorithms shows some interesting seismic evidences for lithosphere structure.

  8. Strengthening of the RAFMS RUSFER-EK181 through nano structuring surface layers

    Energy Technology Data Exchange (ETDEWEB)

    Panin, A.; Melnikova, E.A. [Tomsk State Univ., lnstitute of Strength Physics and Materials Science, SB, RAS (Russian Federation); Chernov, V.M. [Bochvar Institute of Inorganic Materials, Moscow (Russian Federation); Leontieva-Smirnova, M.V. [A.A. Bochvar Research Institute of Inorganic Materials, Moscow (Russian Federation)

    2007-07-01

    Full text of publication follows: Surface nano-structuring increases yield point and strength of the reduced activation ferritic-martensitic steel (RAFMS ) RUSREF - EK181. Ultrasonic impact treatment was used to produce a nano-structure within the surface layers of the specimens. Using scanning tunnelling microscope reveals a new mechanism of mesoscale-level plastic deformation of nano-structured surface layers of the RAFMS RUSREF - EK181 as doubled spirals of localised-plastic deformation meso-bands. A linear dependence of their sizes on thickness of strengthened layer was obtained. The effect of localised deformation meso-bands on macro-mechanical properties of a material was demonstrated. A certain combination of thermal and mechanical treatment as well as optimum proportion of nano-structured surface layer thickness to thickness of a whole specimen are necessary to achieve maximum strength values. Tests performed at high temperatures in the range from 20 to 700 deg. C shows efficiency of the surface hardening of the RAFMS RUSREF - EK181. The effect of nano-structured surface layer on the character of plastic deformation and mechanical properties of the RAFMS RUSREF - EK181 was considered in the framework of a multilevel model in which loss of shear stability and generation of structural defects occur self-consistently at various scale levels such as nano-, micro-, meso-, and macro-Chessboard like distribution of stresses and misfit deformations was theoretical and experimentally shown to appear at the 'nano-structured surface layer - bulk of material' interface. Zones of compressive normal stresses alternates with zones of tensile normal stresses as on a chessboard. Plastic shear can generate only within local zones of tensile normal stresses. Critical meso-volume of non-equilibrium states required for local structure-phase transformation can be formed within these zones. Whereas within the zones of compressive normal stresses acting from both

  9. Surface crystallographic structures of cellulose nanofiber films and overlayers of pentacene

    Science.gov (United States)

    Nakayama, Yasuo; Mori, Toshiaki; Tsuruta, Ryohei; Yamanaka, Soichiro; Yoshida, Koki; Imai, Kento; Koganezawa, Tomoyuki; Hosokai, Takuya

    2018-03-01

    Cellulose nanofibers or nanocellulose is a promising recently developed biomass and biodegradable material used for various applications. In order to utilize this material as a substrate in organic electronic devices, thorough understanding of the crystallographic structures of the surfaces of the nanocellulose composites and of their interfaces with organic semiconductor molecules is essential. In this work, surface crystallographic structures of nanocellulose films (NCFs) and overlayers of pentacene were investigated by two-dimensional grazing-incidence X-ray diffraction. The NCFs are found to crystallize on solid surfaces with the crystal lattice preserving the same structure of the known bulk phase, whereas distortion of interchain packing toward the surface normal direction is suggested. The pentacene overlayers on the NCFs are found to form the thin-film phase with an in-plane mean crystallite size of over 10 nm.

  10. Simultaneous measurements of top surface and its underlying film surfaces in multilayer film structure.

    Science.gov (United States)

    Ghim, Young-Sik; Rhee, Hyug-Gyo; Davies, Angela

    2017-09-19

    With the growth of 3D packaging technology and the development of flexible, transparent electrodes, the use of multilayer thin-films is steadily increasing throughout high-tech industries including semiconductor, flat panel display, and solar photovoltaic industries. Also, this in turn leads to an increase in industrial demands for inspection of internal analysis. However, there still remain many technical limitations to overcome for measurement of the internal structure of the specimen without damage. In this paper, we propose an innovative optical inspection technique for simultaneous measurements of the surface and film thickness corresponding to each layer of multilayer film structures by computing the phase and reflectance over a wide range of wavelengths. For verification of our proposed method, the sample specimen of multilayer films was fabricated via photolithography process, and the surface profile and film thickness of each layer were measured by two different techniques of a stylus profilometer and an ellipsometer, respectively. Comparison results shows that our proposed technique enables simultaneous measurements of the top surface and its underlying film surfaces with high precision, which could not be measured by conventional non-destructive methods.

  11. Different methods to alter surface morphology of high aspect ratio structures

    Energy Technology Data Exchange (ETDEWEB)

    Leber, M., E-mail: moritz.leber@utah.edu [Department of Electrical and Computer Engineering, University of Utah, Salt Lake City, UT (United States); Shandhi, M.M.H. [Department of Electrical and Computer Engineering, University of Utah, Salt Lake City, UT (United States); Hogan, A. [Blackrock Microsystems, Salt Lake City, UT (United States); Solzbacher, F. [Department of Electrical and Computer Engineering, University of Utah, Salt Lake City, UT (United States); Bhandari, R.; Negi, S. [Department of Electrical and Computer Engineering, University of Utah, Salt Lake City, UT (United States); Blackrock Microsystems, Salt Lake City, UT (United States)

    2016-03-01

    Graphical abstract: Surface engineering of high aspect ratio silicon structures. - Highlights: • Multiple roughening techniques for high aspect ratio devices were investigated. • Modification of surface morphology of high aspect ratio silicon devices (1:15). • Decrease of 76% in impedance proves significant increase in surface area. - Abstract: In various applications such as neural prostheses or solar cells, there is a need to alter the surface morphology of high aspect ratio structures so that the real surface area is greater than geometrical area. The change in surface morphology enhances the devices functionality. One of the applications of altering the surface morphology is of neural implants such as the Utah electrode array (UEA) that communicate with single neurons by charge injection induced stimulation or by recording electrical neural signals. For high selectivity between single cells of the nervous system, the electrode surface area is required to be as small as possible, while the impedance is required to be as low as possible for good signal to noise ratios (SNR) during neural recording. For stimulation, high charge injection and charge transfer capacities of the electrodes are required, which increase with the electrode surface. Traditionally, researchers have worked with either increasing the roughness of the existing metallization (platinum grey, black) or other materials such as Iridium Oxide and PEDOT. All of these previously investigated methods lead to more complicated metal deposition processes that are difficult to control and often have a critical impact on the mechanical properties of the metal films. Therefore, a modification of the surface underneath the electrode's coating will increase its surface area while maintaining the standard and well controlled metal deposition process. In this work, the surfaces of the silicon micro-needles were engineered by creating a defined microstructure on the electrodes surface using several

  12. Stable water isotopes in the coupled atmosphere–land surface model ECHAM5-JSBACH

    Directory of Open Access Journals (Sweden)

    B. Haese

    2013-09-01

    Full Text Available In this study we present first results of a new model development, ECHAM5-JSBACH-wiso, where we have incorporated the stable water isotopes H218O and HDO as tracers in the hydrological cycle of the coupled atmosphere–land surface model ECHAM5-JSBACH. The ECHAM5-JSBACH-wiso model was run under present-day climate conditions at two different resolutions (T31L19, T63L31. A comparison between ECHAM5-JSBACH-wiso and ECHAM5-wiso shows that the coupling has a strong impact on the simulated temperature and soil wetness. Caused by these changes of temperature and the hydrological cycle, the δ18O in precipitation also shows variations from −4‰ up to 4‰. One of the strongest anomalies is shown over northeast Asia where, due to an increase of temperature, the δ18O in precipitation increases as well. In order to analyze the sensitivity of the fractionation processes over land, we compare a set of simulations with various implementations of these processes over the land surface. The simulations allow us to distinguish between no fractionation, fractionation included in the evaporation flux (from bare soil and also fractionation included in both evaporation and transpiration (from water transport through plants fluxes. While the isotopic composition of the soil water may change for δ18O by up to +8&permil:, the simulated δ18O in precipitation shows only slight differences on the order of ±1‰. The simulated isotopic composition of precipitation fits well with the available observations from the GNIP (Global Network of Isotopes in Precipitation database.

  13. First principles calculations for the cleaved and annealed Ge(111) surfaces

    International Nuclear Information System (INIS)

    Takeuchi, N.; Tosatti, E.; Selloni, A.

    1992-11-01

    We use ab initio Molecular Dynamics to study the structural and electronic properties of cleaved and annealed Ge(111) surfaces. New features emerge for both structures. For the (2x1) it is found that even though the stable state has a π-bonded chain structure, there are two isomers with the tilt angle of the chain in opposite directions. For the c(2x8) we find an asymmetry in the surface unit cell, in agreement with LEED experiments that show weak quarter-order spots. This inequivalence also produces a splitting of the rest atom and adatom dangling bond, which explains recent STM experiments. (author). 15 refs, 3 figs

  14. Understanding the stability of Fe incorporation within Mn{sub 3}N{sub 2}(0 0 1) surfaces: An ab-initio study

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero-Sánchez, J., E-mail: guerrero@ifuap.buap.mx [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570, México (Mexico); Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autónoma de México, Apartado Postal 14, Ensenada, Baja California Codigo Postal 22800, México (Mexico); Mandru, Andrada-Oana [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Takeuchi, Noboru [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autónoma de México, Apartado Postal 14, Ensenada, Baja California Codigo Postal 22800, México (Mexico); Cocoletzi, Gregorio H. [Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570, México (Mexico); Smith, Arthur R. [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States)

    2016-02-15

    Graphical abstract: - Highlights: • The Fe incorporation into inner layers of the Mn{sub 3}N{sub 2} surfaces is stable in all range of chemical potential. • Displaced Mn atoms forming cluster-like structures induce the stability of incorporated Fe atoms. • Antiferromagnetic alignment in the [0 0 1] direction and in-plane Ferromagnetic Fe–Fe and Fe–Mn alignments are the same as in Mn{sub 3}N{sub 2} bulk structure. • Incorporated Fe layers contribute to the metallic character of these surfaces. - Abstract: We present first principles spin-polarized calculations of the adsorption and incorporation of iron in the Mn{sub 3}N{sub 2}(0 0 1) surfaces. By means of a surface formation energy criterion, it is demonstrated that Fe incorporation is energetically stable for all studied surfaces. An Fe bilayer formation is achieved after Fe atoms displace Mn atoms in the sub-surface N-vacancy layers. An analysis of the magnetic coupling shows an antiferromagnetic alignment along the [0 0 1] direction as in the clean, ideal surfaces. Also, the in-plane magnetic coupling between Fe–Fe and Fe–Mn shows a ferromagnetic tendency, similar to the clean, ideally terminated surfaces. These results clearly indicate that Fe behaves like Mn when adsorbed into the Mn{sub 3}N{sub 2} surface. Density of states calculations of the stable structures show a slight deviation from the antiferromagnetic-like behavior, with the most important contribution around the Fermi level coming from the Fe-d and Mn-d orbitals.

  15. Analysis of the structural parameters that influence gas production from the Devonian shale. Annual progress report, 1979-1980. Volume II. Data repository and reports published during fiscal year 1979-1980: regional structure, surface structure, surface fractures, hydrology

    Energy Technology Data Exchange (ETDEWEB)

    Negus-De Wys, J.; Dixon, J. M.; Evans, M. A.; Lee, K. D.; Ruotsala, J. E.; Wilson, T. H.; Williams, R. T.

    1980-10-01

    This volume comprises appendices giving regional structure data, surface structure data, surface fracture data, and hydrology data. The fracture data covers oriented Devonian shale cores from West Virginia, Ohio, Virginia, Pennsylvania, and Kentucky. The subsurface structure of the Eastern Kentucky gas field is also covered. (DLC)

  16. Determination of the structures of small gold clusters on stepped magnesia by density functional calculations.

    Science.gov (United States)

    Damianos, Konstantina; Ferrando, Riccardo

    2012-02-21

    The structural modifications of small supported gold clusters caused by realistic surface defects (steps) in the MgO(001) support are investigated by computational methods. The most stable gold cluster structures on a stepped MgO(001) surface are searched for in the size range up to 24 Au atoms, and locally optimized by density-functional calculations. Several structural motifs are found within energy differences of 1 eV: inclined leaflets, arched leaflets, pyramidal hollow cages and compact structures. We show that the interaction with the step clearly modifies the structures with respect to adsorption on the flat defect-free surface. We find that leaflet structures clearly dominate for smaller sizes. These leaflets are either inclined and quasi-horizontal, or arched, at variance with the case of the flat surface in which vertical leaflets prevail. With increasing cluster size pyramidal hollow cages begin to compete against leaflet structures. Cage structures become more and more favourable as size increases. The only exception is size 20, at which the tetrahedron is found as the most stable isomer. This tetrahedron is however quite distorted. The comparison of two different exchange-correlation functionals (Perdew-Burke-Ernzerhof and local density approximation) show the same qualitative trends. This journal is © The Royal Society of Chemistry 2012

  17. Bloch-Surface-Polariton-Based Hybrid Nanowire Structure for Subwavelength, Low-Loss Waveguiding

    Directory of Open Access Journals (Sweden)

    Weijing Kong

    2018-03-01

    Full Text Available Surface plasmon polaritons (SPPs have been thoroughly studied in the past decades for not only sensing but also waveguiding applications. Various plasmonic device structures have been explored due to their ability to confine their optical mode to the subwavelength level. However, with the existence of metal, the large ohmic loss limits the propagation distance of the SPP and thus the scalability of such devices. Therefore, different hybrid waveguides have been proposed to overcome this shortcoming. Through fine tuning of the coupling between the SPP and a conventional waveguide mode, a hybrid mode could be excited with decent mode confinement and extended propagation distance. As an effective alternative of SPP, Bloch surface waves have been re-investigated more recently for their unique advantages. As is supported in all-dielectric structures, the optical loss for the Bloch surface wave is much lower, which stands for a much longer propagating distance. Yet, the confinement of the Bloch surface wave due to the reflections and refractions in the multilayer structure is not as tight as that of the SPP. In this work, by integrating a periodic multilayer structure that supports the Bloch surface wave with a metallic nanowire structure, a hybrid Bloch surface wave polariton could be excited. With the proposed hybrid nanowire structure, a hybrid mode is demonstrated with the deep subwavelength mode confinement and a propagation distance of tens of microns.

  18. Supramolecular structures on silica surfaces and their adsorptive properties.

    Science.gov (United States)

    Belyakov, Vladimir N; Belyakova, Lyudmila A; Varvarin, Anatoly M; Khora, Olexandra V; Vasilyuk, Sergei L; Kazdobin, Konstantin A; Maltseva, Tetyana V; Kotvitskyy, Alexey G; Danil de Namor, Angela F

    2005-05-01

    The study of adsorptive and chemical immobilization of beta-cyclodextrin on a surface of hydroxylated silicas with various porous structure is described. Using IR spectroscopy, thermal gravimetrical analysis with a programmed heating, and chemical analysis of the silica surface, it is shown that the process of adsorption-desorption of beta-cyclodextrin depends on the porous structure of the silica. The reaction of esterification was used for chemical grafting of beta-cyclodextrin on the surface of hydroxylated silicas. Hydrolytic stability of silicas chemically modified by beta-cyclodextrin apparently is explained by simultaneous formation of chemical and hydrogen bonds between surface silanol groups and hydroxyl groups of beta-cyclodextrin. The uptake of the cations Cu(II), Cd(II), and Pb(II) and the anions Cr(VI) and As(V) by silicas modified with beta-cyclodextrin is investigated as a function of equilibrium ion concentrations. The increase of ion uptake and selectivity of ion extraction in comparison with starting silicas is established. It is due to the formation of surface inclusion complexes of the "host-guest" type in which one molecule of beta-cyclodextrin interacts simultaneously with several ions.

  19. Nanoscale surface topographies for structural colors

    DEFF Research Database (Denmark)

    Clausen, Jeppe Sandvik

    The thesis describes and demonstrates the possibilities for utilization of structural colors in mass fabricated plastic products as replacement for or in combination with pigments and inks. The motivation is the possible advantages related to re-cycling and re-use of plastic by limiting the number......-polymer interface is suppressed. This improves the ability to see through a clear plastic in the presence of specular reflection. The tapered nanostructures are also utilized to enhance the chroma of pigmented polymers. Larger tapered structures fabricated in a similar manor are shown to work as color filters....... Through an experimental study is the color of the transmitted light linked directly to the random topography of the surface by use of diffraction theory. The color effects from periodic structures and how these might be employed to create bright colors are investigated. This is done both for opaque...

  20. Medieval Horse Stable; The Results of Multi Proxy Interdisciplinary Research

    Science.gov (United States)

    Dejmal, Miroslav; Lisá, Lenka; Fišáková Nývltová, Miriam; Bajer, Aleš; Petr, Libor; Kočár, Petr; Kočárová, Romana; Nejman, Ladislav; Rybníček, Michal; Sůvová, Zdenka; Culp, Randy; Vavrčík, Hanuš

    2014-01-01

    A multi proxy approach was applied in the reconstruction of the architecture of Medieval horse stable architecture, the maintenance practices associated with that structure as well as horse alimentation at the beginning of 13th century in Central Europe. Finally, an interpretation of the local vegetation structure along Morava River, Czech Republic is presented. The investigated stable experienced two construction phases. The infill was well preserved and its composition reflects maintenance practices. The uppermost part of the infill was composed of fresh stabling, which accumulated within a few months at the end of summer. Horses from different backgrounds were kept in the stable and this is reflected in the results of isotope analyses. Horses were fed meadow grasses as well as woody vegetation, millet, oat, and less commonly hemp, wheat and rye. Three possible explanations of stable usage are suggested. The stable was probably used on a temporary basis for horses of workers employed at the castle, courier horses and horses used in battle. PMID:24670874

  1. Mn induced 1 × 2 reconstruction in the τ-MnAl(0 0 1) surface

    Science.gov (United States)

    Guerrero-Sánchez, J.; Takeuchi, Noboru

    2018-05-01

    We report on first principles total energy calculations to describe the structural, electronic and magnetic properties of MnAl(0 0 1) surfaces. We have concentrated in structural models having 1 × 1 and 1 × 2 periodicities, since recent experiments of the similar MnGa(0 0 1) surface have found 1 × 1 and 1 × 2 reconstructions. Our calculations show the existence of two stable structures for different ranges of chemical potential. A 1 × 1 surface is stable for Al-rich conditions, whereas a Mn-induced 1 × 2 reconstruction appears after increasing the Mn chemical potential up to Mn-rich conditions. It is important to notice that experimentally, Mn rich conditions are important for improved magnetic properties. The Mn layers in both structures have ferromagnetic arrangements, but they are aligned antiferromagnetically with the almost no magnetic Al atoms. Moreover, the on top Mn atoms, which produce the 1 × 2 reconstruction, align antiferromagnetically with the second layer Mn atoms. These findings are similar to those obtained experimentally in MnGa thin films grown by molecular beam epitaxy. Therefore, this method could also be used to grow the proposed MnAl films.

  2. Surface structure and properties of functionalized nanodiamonds: a first-principles study

    International Nuclear Information System (INIS)

    Datta, Aditi; Kirca, Mesut; Fu Yao; To, Albert C

    2011-01-01

    The goal of this work is to gain fundamental understanding of the surface and internal structure of functionalized detonation nanodiamonds (NDs) using quantum mechanics based density functional theory (DFT) calculations. The unique structure of ND assists in the binding of different functional groups to its surface which in turn facilitates binding with drug molecules. The ability to comprehensively model the surface properties, as well as drug-ND interactions during functionalization, is a challenge and is the problem of our interest. First, the structure of NDs of technologically relevant size (∼5 nm) was optimized using classical mechanics based molecular mechanics simulations. Quantum mechanics based density functional theory (DFT) was then employed to analyse the properties of smaller relevant parts of the optimized cluster further to address the effect of functionalization on the stability of the cluster and reactivity at its surface. It is found that functionalization is preferred over reconstruction at the (100) surface and promotes graphitization in the (111) surface for NDs functionalized with the carbonyl oxygen (C = O) group. It is also seen that the edges of ND are the preferred sites for functionalization with the carboxyl group (-COOH) vis-a-vis the corners of ND.

  3. Surface structure and properties of functionalized nanodiamonds: a first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Datta, Aditi; Kirca, Mesut; Fu Yao; To, Albert C, E-mail: albertto@pitt.edu [Department of Mechanical Engineering and Materials Science and Department of Civil and Environmental Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States)

    2011-02-11

    The goal of this work is to gain fundamental understanding of the surface and internal structure of functionalized detonation nanodiamonds (NDs) using quantum mechanics based density functional theory (DFT) calculations. The unique structure of ND assists in the binding of different functional groups to its surface which in turn facilitates binding with drug molecules. The ability to comprehensively model the surface properties, as well as drug-ND interactions during functionalization, is a challenge and is the problem of our interest. First, the structure of NDs of technologically relevant size ({approx}5 nm) was optimized using classical mechanics based molecular mechanics simulations. Quantum mechanics based density functional theory (DFT) was then employed to analyse the properties of smaller relevant parts of the optimized cluster further to address the effect of functionalization on the stability of the cluster and reactivity at its surface. It is found that functionalization is preferred over reconstruction at the (100) surface and promotes graphitization in the (111) surface for NDs functionalized with the carbonyl oxygen (C = O) group. It is also seen that the edges of ND are the preferred sites for functionalization with the carboxyl group (-COOH) vis-a-vis the corners of ND.

  4. Enhanced osteointegration of medical titanium implant with surface modifications in micro/nanoscale structures

    Directory of Open Access Journals (Sweden)

    Liwen Lin

    2014-01-01

    Full Text Available Biomimetic design and substrate-based surface modification of medical implants will help to improve the integration of tissue to its material interfaces. Surface energy, composition, roughness, and topography all influence the biological responses of the implants, such as protein adsorption and cell adhesion, proliferation and differentiation. In the current study, different surface structures of Ti implants were constructed using facile surface techniques to create various micro-, nano-, and nano/micro composite scale topography. We have fabricated three types of hierarchical structures of TiO2 coating on Ti implants, including nanotube structure, nano sponge-like structure, and nano/micro nest-like structure. The osteointegration and biomechanical performance of the coated Ti screws were evaluated by histology and removal of torque force test in vivo. We found that the nano/micro nest-like and nanotube structured surface possessed better osteointegration ability. It indicated that the alkaline hydrothermally treated Ti substrate was the best for bone-implant integration in terms of all in vitro and in vivo testing parameters. The alkaline hydrothermally treated surface displayed a hydrophilic (contact angle value 5.92 ± 1.2, higher roughness (Ra value 911.3 ± 33.8 nm, higher specific surface area (8.26 ± 1.051 m2/g, and greater apatite inductivity. The electrochemical surface modification may become a powerful approach to enhance metal implant to bone integration in orthopaedic applications.

  5. Handling sticky Resin by Stingless Bees: Adhesive Properties of Surface Structures

    Directory of Open Access Journals (Sweden)

    MARKUS GASTAUER

    2013-09-01

    Full Text Available Many Stingless Bees (Hymenoptera: Meliponini like Tetragonisca angustula collect resin to defend their nests against intruders like ants or Robber Bees. Small portions of resin are attached to intruders bodies and extremities causing their immobilization. It has been observed that resin is removed easily from the bee's mandible but adheres strongly to the intruder's cuticle. We tested the hypothesis that resin sticks lesser to the mandibles of Stingless Bees than to the surface of intruders due to special surface structures or adhesive properties of these structures. The surface structures of the mandible of T. angustula and the trochanter of Camponotus sericeiventris were studied by scanning electron microscopy. To measure adhesion properties, selected surfaces were fixed on a fine glass pin and withdrawn from a glass tip covered with resin. The deformation of the glass pin indicates adhesion forces operating between the resin and the selective surface. The absolute value of the forces is computed from the glass pin's stiffness. It has been shown that resin sticks more to the smooth mandible of the bee than to the structured trochanter of the ant. A new hypothesis to be tested says that the bees might lubricate their mandibles with nectar or honey to reduce the resin's adhesion temporarily.

  6. Anomalous sea surface structures as an object of statistical topography

    Science.gov (United States)

    Klyatskin, V. I.; Koshel, K. V.

    2015-06-01

    By exploiting ideas of statistical topography, we analyze the stochastic boundary problem of emergence of anomalous high structures on the sea surface. The kinematic boundary condition on the sea surface is assumed to be a closed stochastic quasilinear equation. Applying the stochastic Liouville equation, and presuming the stochastic nature of a given hydrodynamic velocity field within the diffusion approximation, we derive an equation for a spatially single-point, simultaneous joint probability density of the surface elevation field and its gradient. An important feature of the model is that it accounts for stochastic bottom irregularities as one, but not a single, perturbation. Hence, we address the assumption of the infinitely deep ocean to obtain statistic features of the surface elevation field and the squared elevation gradient field. According to the calculations, we show that clustering in the absolute surface elevation gradient field happens with the unit probability. It results in the emergence of rare events such as anomalous high structures and deep gaps on the sea surface almost in every realization of a stochastic velocity field.

  7. Advances on surface structural determination by LEED

    International Nuclear Information System (INIS)

    Soares, Edmar A; De Carvalho, Vagner E; De Castilho, Caio M C

    2011-01-01

    In the last 40 years, low energy electron diffraction (LEED) has proved to be the most reliable quantitative technique for surface structural determination. In this review, recent developments related to the theory that gives support to LEED structural determination are discussed under a critical analysis of the main theoretical approximation-the muffin-tin calculation. The search methodologies aimed at identifying the best matches between theoretical and experimental intensity versus voltage curves are also considered, with the most recent procedures being reviewed in detail. (topical review)

  8. Gradient limitation in accelerating structures imposed by surface melting

    International Nuclear Information System (INIS)

    Wilson, Perry B

    2003-01-01

    A rough picture is beginning to emerge of the physics behind the maximum gradient that can be sustained in an accelerating structure without producing surface damage at a level sufficient to cause a measurable change in the rf properties of the structure. Field emission sites are known to trigger the formation of so-called plasma spots in regions of high dc or rf surface electric fields. A single plasma spot has a finite lifetime (∼ 20-50ns) and leaves behind a single crater. In the rf case, some fraction of the electrons emitted from the spot pick up energy from the rf field and back-bombard the area around the spot. Depending on the gradient, pulse length and available rf energy, multiple spots can form in close proximity. The combined back-bombardment power density from such a spot cluster can be sufficient to raise the surface temperature to the melting point in tens of nanoseconds over an area on the order of 100 microns in diameter. This molten area can now support a plasma capable of emitting several kiloamperes of electrons with an average energy of 50-100kV. This is sufficient beam power to collapse the field in a travelling structure in 30 ns or so. The plasma also exerts a tremendous pressure on the molten surface, sufficient to cause a macroscopic amount of material to migrate toward a region of lower surface field. Over time, this process can modify the profile of the iris tip and produce an unacceptable change in the phase shift per cell

  9. Facile Method for Fabricating Superhydrophobic Surface on Magnesium

    Energy Technology Data Exchange (ETDEWEB)

    Han, Mun Hee; Park, Yeon Hwa; Hyun, June Won; Ahn, Yong Hyun [Dankook Univ., Yongin (Korea, Republic of)

    2010-04-15

    In conclusion, we have developed a simple and inexpensive method for fabricating a superhydrophobic surface of magnesium by metal deposition and stearic acid coating. We fabricated a superhydrophobic surface on magnesium by nickel deposition and surface coating of stearic acid. The fabricated surfaces were stable against acidic and basic solutions. In recent times, technologies based on the imitation of nature have attracted considerable attention. Lotus leaves are known for their self-cleaning effect. The micrometer-scale papillae structure and the epicuticular wax on the lotus leaf contribute to this effect. In a manner similar to the self-cleaning property of lotus leaves, the wettability of solid surfaces is of great interest in daily life and industry.1-4 Wettability is controlled by both the geometrical structure of a surface and a low surface energy material coating. A superhydrophobic surface is satisfied with a water contact angle of more than 150 .deg. and a sliding angle of less than 10 .deg. On such a surface, a water drop has a perfectly spherical shape and it easily rolls off and removes deposited contaminants. A superhydrophobic surface thus protects a material from contamination, fogging, and snow deposition.

  10. Light structures phototroph, bacterial and fungal communities at the soil surface.

    Directory of Open Access Journals (Sweden)

    Lawrence O Davies

    Full Text Available The upper few millimeters of soil harbour photosynthetic microbial communities that are structurally distinct from those of underlying bulk soil due to the presence of light. Previous studies in arid zones have demonstrated functional importance of these communities in reducing soil erosion, and enhancing carbon and nitrogen fixation. Despite being widely distributed, comparative understanding of the biodiversity of the soil surface and underlying soil is lacking, particularly in temperate zones. We investigated the establishment of soil surface communities on pasture soil in microcosms exposed to light or dark conditions, focusing on changes in phototroph, bacterial and fungal communities at the soil surface (0-3 mm and bulk soil (3-12 mm using ribosomal marker gene analyses. Microbial community structure changed with time and structurally similar phototrophic communities were found at the soil surface and in bulk soil in the light exposed microcosms suggesting that light can influence phototroph community structure even in the underlying bulk soil. 454 pyrosequencing showed a significant selection for diazotrophic cyanobacteria such as Nostoc punctiforme and Anabaena spp., in addition to the green alga Scenedesmus obliquus. The soil surface also harboured distinct heterotrophic bacterial and fungal communities in the presence of light, in particular, the selection for the phylum Firmicutes. However, these light driven changes in bacterial community structure did not extend to the underlying soil suggesting a discrete zone of influence, analogous to the rhizosphere.

  11. Moduli spaces of convex projective structures on surfaces

    DEFF Research Database (Denmark)

    Fock, V. V.; Goncharov, A. B.

    2007-01-01

    We introduce explicit parametrisations of the moduli space of convex projective structures on surfaces, and show that the latter moduli space is identified with the higher Teichmüller space for defined in [V.V. Fock, A.B. Goncharov, Moduli spaces of local systems and higher Teichmüller theory, math.......AG/0311149]. We investigate the cluster structure of this moduli space, and define its quantum version....

  12. Research on micro-structure and hemo-compatibility of the artificial heart valve surface

    International Nuclear Information System (INIS)

    Ye Xia; Shao Yunliang; Zhou Ming; Li Jian; Cai Lan

    2009-01-01

    In order to seek the method to improve the hemo-compatibility of artificial mechanical heart valve, the surface of rabbit's heart valve was observed using the scanning electron microscopy (SEM). The results showed that the dual-scale structure which consists of cobblestones-like structure of 8 μm in underside diameter and 3 μm in height, and the fine cilia of about 150 nm in diameter, was helpful to the hemo-compatibility of the heart valve. Therefore, the polydimethylsiloxane (PDMS) surface with hierarchical micro-structure was fabricated using femtosecond laser fabrication technique and soft lithography. At the same time, the tests of apparent contact angle and platelet adhesion on both smooth and textured PDMS surfaces were carried out to study their wettability and hemo-compatibility. The results demonstrated that the surface with textured structure displayed more excellent wettabililty and anti-coagulation property than that of smooth surface. The apparent contact angle of textured surface enhanced from 113.1 deg. to 163.6 deg. and the amount of adsorbed platelet on such surface was fewer, no distortion and no activation were found.

  13. Surface Nano Structures Manufacture Using Batch Chemical Processing Methods for Tooling Applications

    DEFF Research Database (Denmark)

    Tosello, Guido; Calaon, Matteo; Gavillet, J.

    2011-01-01

    The patterning of large surface areas with nano structures by using chemical batch processes to avoid using highenergy intensive nano machining processes was investigated. The capability of different surface treatment methods of creating micro and nano structured adaptable mould inserts for subse...

  14. Emergence of a few distinct structures from a single formal structure type during high-throughput screening for stable compounds: The case of RbCuS and RbCuSe

    Science.gov (United States)

    Trimarchi, Giancarlo; Zhang, Xiuwen; DeVries Vermeer, Michael J.; Cantwell, Jacqueline; Poeppelmeier, Kenneth R.; Zunger, Alex

    2015-10-01

    Theoretical sorting of stable and synthesizable "missing compounds" from those that are unstable is a crucial step in the discovery of previously unknown functional materials. This active research area often involves high-throughput (HT) examination of the total energy of a given compound in a list of candidate formal structure types (FSTs), searching for those with the lowest energy within that list. While it is well appreciated that local relaxation methods based on a fixed list of structure types can lead to inaccurate geometries, this approach is widely used in HT studies because it produces answers faster than global optimization methods (that vary lattice vectors and atomic positions without local restrictions). We find, however, a different failure mode of the HT protocol: specific crystallographic classes of formal structure types each correspond to a series of chemically distinct "daughter structure types" (DSTs) that have the same space group but possess totally different local bonding configurations, including coordination types. Failure to include such DSTs in the fixed list of examined candidate structures used in contemporary high-throughput approaches can lead to qualitative misidentification of the stable bonding pattern, not just quantitative inaccuracies. In this work, we (i) clarify the understanding of the general DST-FST relationship, thus improving current discovery HT approaches, (ii) illustrate this failure mode for RbCuS and RbCuSe (the latter being a yet unreported compound and is predicted here) by developing a synthesis method and accelerated crystal-structure determination, and (iii) apply the genetic-algorithm-based global space-group optimization (GSGO) approach which is not vulnerable to the failure mode of HT searches of fixed lists, demonstrating a correct identification of the stable DST. The broad impact of items (i)-(iii) lies in the demonstrated predictive ability of a more comprehensive search strategy than what is currently

  15. Structure sensitivity in CO oxidation by a single Au atom supported on ceria

    NARCIS (Netherlands)

    Song, W.; Hensen, E.J.M.

    2013-01-01

    The mechanism of CO oxidation by a CeO2(110)-supported gold atom has been investigated by DFT calculations. A novel stable surface structure has been identified in which one surface O atom of ceria migrates toward the isolated Au atom, resulting in a surface Au–O species that can react with CO.

  16. The adsorption and dissociation of water molecule on goethite (010) surface: A DFT approach

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Long, E-mail: shuweixia@ouc.edu.cn [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering (China); Xiu, Fangyuan [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering (China); Qiu, Meng [Qingdao Institute of Bioenergy and Bioprocess Technology (China); Xia, Shuwei; Yu, Liangmin [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering (China)

    2017-01-15

    Graphical abstract: The optimized structure of hydrated goethite (010) surface with medium water coverage (water density about 6.7 H{sub 2}O/nm{sup 2}). - Highlights: • Stable adsorption and dissociation structure of H{sub 2}O on goethite (010) surface was investigated by DFT. • Reasonable path for water dissociation was proposed by transitional state analysis. • The mechanism of water adsorption on goethite and binding nature were revealed by PDOS. - Abstract: Using density functional theory (DFT) calculation, we investigate the configuration, stability and electronic properties of fresh cleaved (010) goethite surface (Pnma) and this surface exposed to water monolayer at low, medium and high coverage. Water is predicted to be chemisorbed to the surface, together with the surface reconstruction. The interaction energy of the most stable configuration of both low and medium coverage per water molecule is almost the same (−1.17 eV), while that of high coverage is much lower (less than 1.03 eV). It indicates that highly hydrated surface is less stable. PDOS analysis reveals the adsorption of H{sub 2}O is due to the formation of Fe−O bond, caused by overlapping of Fe's 3d and O's 2p orbitals. Dissociation processes at low and medium water coverage are non-spontaneous; while at high coverage, it can undertake spontaneously both thermodynamically and dynamically. The dissociation paths of all three water coverage are the similar. The proton from one adsorbed water is likely to dissociate to bind to the vicinal surface μ{sub 3}−O as an intermediate product; the proton belonged to μ{sub 3}−O transferred to the neighbor surface μ{sub 2}−O as the dissociative configuration.

  17. Comparison of 3 methods on fabricating micro- /nano- structured surface on 3D mold cavity

    DEFF Research Database (Denmark)

    Zhang, Yang; Hansen, Hans Nørgaard; Bissacco, Giuliano

    2015-01-01

    The methods to manufacture micro- or nano- structures on surfaces have been an area of intense investigation. Demands are shown for technologies for surface structuring on real 3D parts in many fields. However, most technologies for the fabrication of micro-structured functional surfaces are still...... limited to flat or simple shaped geometries. In this paper, 3 approaches for fabricating micro and nano- structured surfaces on a mold cavity for injection moulding are investigated and compared. The first approach is to use pre-fabricated plate with micro-structured surface as an insert for the mold......, in this way micro holes (Ø4 μm) was obtained. The second approach is to produce the cavity part using anodizing process chain, and in this way sub-micro structures can be obtained all over the cavity surface. The third approach is to machine the surface inside the cavity directly by femtosecond laser combined...

  18. Evaluation of underground pipe-structure interface for surface impact load

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shen, E-mail: swang@terrapower.com

    2017-06-15

    Highlights: • A simple method is proposed for the evaluation of underground pipelines for surface impact load considering the effect of a nearby pipe-structure interface. • The proposed simple method can be used to evaluate the magnitude of damage within a short period of time after accidental drop occurs. • The proposed method is applied in a practical example and compared by using finite element analysis. - Abstract: Nuclear safety related buried pipelines need to be assessed for the effects of postulated surface impact loads. In published solutions, the buried pipe is often considered within an elastic half space without interference with other underground structures. In the case that a surface impact occurs in short distance from an underground pipe-structure interface, this boundary condition will further complicate the buried pipe evaluation. Neglecting such boundary effect in the assessment may lead to underestimating potential damage of buried pipeline, and jeopardizing safety of the nuclear power plant. Comprehensive analysis of such structure-pipe-soil system is often subjected to availability of state-of-art finite element tools, as well as costly and time consuming. Simple, but practical conservative techniques have not been established. In this study, a mechanics based solution is proposed in order to assess the magnitude of damage to a buried pipeline beneath a heavy surface impact considering the effect of a nearby pipe-structure interface. The proposed approach provides an easy to use tool in the early stage of evaluation before the decision of applying more costly technique can be made by owner of the nuclear facility.

  19. Evaluation of underground pipe-structure interface for surface impact load

    International Nuclear Information System (INIS)

    Wang, Shen

    2017-01-01

    Highlights: • A simple method is proposed for the evaluation of underground pipelines for surface impact load considering the effect of a nearby pipe-structure interface. • The proposed simple method can be used to evaluate the magnitude of damage within a short period of time after accidental drop occurs. • The proposed method is applied in a practical example and compared by using finite element analysis. - Abstract: Nuclear safety related buried pipelines need to be assessed for the effects of postulated surface impact loads. In published solutions, the buried pipe is often considered within an elastic half space without interference with other underground structures. In the case that a surface impact occurs in short distance from an underground pipe-structure interface, this boundary condition will further complicate the buried pipe evaluation. Neglecting such boundary effect in the assessment may lead to underestimating potential damage of buried pipeline, and jeopardizing safety of the nuclear power plant. Comprehensive analysis of such structure-pipe-soil system is often subjected to availability of state-of-art finite element tools, as well as costly and time consuming. Simple, but practical conservative techniques have not been established. In this study, a mechanics based solution is proposed in order to assess the magnitude of damage to a buried pipeline beneath a heavy surface impact considering the effect of a nearby pipe-structure interface. The proposed approach provides an easy to use tool in the early stage of evaluation before the decision of applying more costly technique can be made by owner of the nuclear facility.

  20. Fabrication of biomimetic resorption lacunae-like structure on titanium surface and its osteoblast responses

    Science.gov (United States)

    Huo, Fangjun; Guo, Weihua; Wu, Hao; Wang, Yueting; He, Gang; Xie, Li; Tian, Weidong

    2018-04-01

    Biomimetic specific surface structure could improve biological behaviors of specific cells and eventual tissue integration. Featuring titanium surface with structures resembling bone resorption lacunae (RL) can be a promising approach to improve the osteoblast responses and osseointegration of implants. As a most common used dental implant surface, sandblasting and acid etching (SLA) surface has micro-sized structures with dimensions similar to RL, but great differences exist when it comes to shape and contour. In this work, by anodizing titanium substrate in a novel HCOONa/CH3COONa electrolyte, RL-like crater structures were fabricated with highly similar size, shape and contour. Compared with SLA, it was much more similar to RL structure in shape and contour. Furthermore, through subsequent alkali-heat treatment, nano-sized structures that overlaid the whole surface were obtained, which further mimic undercuts features inside the RL. The as-prepared surface was consisted of crystalline titania and exhibited super-hydrophilicity with good stability. In vitro evaluation results showed that the surface could significantly improve adhesion, proliferation and differentiation of MG63 cells in comparison with SLA. This new method may be a promising candidate for biomimetic modification of titanium implant to promote osseointegration.

  1. Superhydrophobic hierarchically structured surfaces in biology: evolution, structural principles and biomimetic applications.

    Science.gov (United States)

    Barthlott, W; Mail, M; Neinhuis, C

    2016-08-06

    A comprehensive survey of the construction principles and occurrences of superhydrophobic surfaces in plants, animals and other organisms is provided and is based on our own scanning electron microscopic examinations of almost 20 000 different species and the existing literature. Properties such as self-cleaning (lotus effect), fluid drag reduction (Salvinia effect) and the introduction of new functions (air layers as sensory systems) are described and biomimetic applications are discussed: self-cleaning is established, drag reduction becomes increasingly important, and novel air-retaining grid technology is introduced. Surprisingly, no evidence for lasting superhydrophobicity in non-biological surfaces exists (except technical materials). Phylogenetic trees indicate that superhydrophobicity evolved as a consequence of the conquest of land about 450 million years ago and may be a key innovation in the evolution of terrestrial life. The approximate 10 million extant species exhibit a stunning diversity of materials and structures, many of which are formed by self-assembly, and are solely based on a limited number of molecules. A short historical survey shows that bionics (today often called biomimetics) dates back more than 100 years. Statistical data illustrate that the interest in biomimetic surfaces is much younger still. Superhydrophobicity caught the attention of scientists only after the extreme superhydrophobicity of lotus leaves was published in 1997. Regrettably, parabionic products play an increasing role in marketing.This article is part of the themed issue 'Bioinspired hierarchically structured surfaces for green science'. © 2016 The Author(s).

  2. Superhydrophobic hierarchically structured surfaces in biology: evolution, structural principles and biomimetic applications

    Science.gov (United States)

    Mail, M.; Neinhuis, C.

    2016-01-01

    A comprehensive survey of the construction principles and occurrences of superhydrophobic surfaces in plants, animals and other organisms is provided and is based on our own scanning electron microscopic examinations of almost 20 000 different species and the existing literature. Properties such as self-cleaning (lotus effect), fluid drag reduction (Salvinia effect) and the introduction of new functions (air layers as sensory systems) are described and biomimetic applications are discussed: self-cleaning is established, drag reduction becomes increasingly important, and novel air-retaining grid technology is introduced. Surprisingly, no evidence for lasting superhydrophobicity in non-biological surfaces exists (except technical materials). Phylogenetic trees indicate that superhydrophobicity evolved as a consequence of the conquest of land about 450 million years ago and may be a key innovation in the evolution of terrestrial life. The approximate 10 million extant species exhibit a stunning diversity of materials and structures, many of which are formed by self-assembly, and are solely based on a limited number of molecules. A short historical survey shows that bionics (today often called biomimetics) dates back more than 100 years. Statistical data illustrate that the interest in biomimetic surfaces is much younger still. Superhydrophobicity caught the attention of scientists only after the extreme superhydrophobicity of lotus leaves was published in 1997. Regrettably, parabionic products play an increasing role in marketing. This article is part of the themed issue ‘Bioinspired hierarchically structured surfaces for green science’. PMID:27354736

  3. Characterization of polymer surface structure and surface mechanical behaviour by sum frequency generation surface vibrational spectroscopy and atomic force microscopy

    International Nuclear Information System (INIS)

    Opdahl, Aric; Koffas, Telly S; Amitay-Sadovsky, Ella; Kim, Joonyeong; Somorjai, Gabor A

    2004-01-01

    Sum frequency generation (SFG) vibrational spectroscopy and atomic force microscopy (AFM) have been used to study polymer surface structure and surface mechanical behaviour, specifically to study the relationships between the surface properties of polymers and their bulk compositions and the environment to which the polymer is exposed. The combination of SFG surface vibrational spectroscopy and AFM has been used to study surface segregation behaviour of polyolefin blends at the polymer/air and polymer/solid interfaces. SFG surface vibrational spectroscopy and AFM experiments have also been performed to characterize the properties of polymer/liquid and polymer/polymer interfaces, focusing on hydrogel materials. A method was developed to study the surface properties of hydrogel contact lens materials at various hydration conditions. Finally, the effect of mechanical stretching on the surface composition and surface mechanical behaviour of phase-separated polyurethanes, used in biomedical implant devices, has been studied by both SFG surface vibrational spectroscopy and AFM. (topical review)

  4. Surface plasmon polariton amplification in semiconductor-graphene-dielectric structure

    Energy Technology Data Exchange (ETDEWEB)

    Dadoenkova, Yuliya S. [Ulyanovsk State University, Ulyanovsk (Russian Federation); Novgorod State University, Veliky Novgorod (Russian Federation); Donetsk Institute for Physics and Technology, Donetsk (Ukraine); Moiseev, Sergey G. [Ulyanovsk State University, Ulyanovsk (Russian Federation); Kotelnikov Institute of Radio Engineering and Electronics, Russian Academy of Sciences, Ulyanovsk (Russian Federation); Abramov, Aleksei S. [Ulyanovsk State University, Ulyanovsk (Russian Federation); Kadochkin, Aleksei S.; Zolotovskii, Igor O. [Ulyanovsk State University, Ulyanovsk (Russian Federation); Institute of Nanotechnologies of Microelectronics of the Russian Academy of Sciences, 32A Leninskiy Prosp., 119991, Moscow (Russian Federation); Fotiadi, Andrei A. [Ulyanovsk State University, Ulyanovsk (Russian Federation); Universite de Mons (Belgium)

    2017-05-15

    A mechanism of amplification of surface plasmon polaritons due to the transfer of electromagnetic energy from a drift current wave into a far-infrared surface wave propagating along a semiconductor-dielectric boundary in waveguide geometry is proposed. A necessary condition of the interaction of these waves is phase matching condition, i. e., when the phase velocity of the surface wave approaches the drift velocity of charge carriers. It is shown that in the spectral region of the surface plasmon polariton slowing-down its amplification coefficient can reach values substantially exceeding the ohmic loss coefficient of the surface wave in the structure. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Co-crystal formation between two organic solids on the surface of Titan

    Science.gov (United States)

    Cable, M. L.; Vu, T. H.; Maynard-Casely, H. E.; Hodyss, R. P.

    2017-12-01

    Laboratory experiments of Titan molecular materials, informed by modeling, can help us to understand the complex and dynamic surface processes occurring on this moon at cryogenic temperatures. We previously demonstrated that two common organic materials on Titan, ethane and benzene, form a unique and stable co-crystalline structure at Titan surface temperatures. We have now characterized a second co-crystal that is stable on Titan, this time between two solids: acetylene and ammonia. The co-crystal forms within minutes at Titan surface temperature, as evidenced by new Raman spectral features in the lattice vibration and C-H bending regions. In addition, a red shift of the C-H stretching mode suggests that the acetylene-ammonia co-crystal is stabilized by a network of C-H···N interactions. Thermal stability studies indicate that this co-crystal remains intact to >110 K, and experiments with liquid methane and ethane reveal the co-crystal to be resistant to fluvial or pluvial exposure. Non-covalently bound structures such as these co-crystals point to far more complex surface interactions than previously believed on Titan. New physical and mechanical properties (deformation, plasticity, density, etc.), differences in storage of key species (i.e., ethane versus methane), variations in surface transport and new chemical gradients can all result in diverse surface features and chemistries of astrobiological interest.

  6. Structure and properties of GMA surfaced armour plates

    OpenAIRE

    A. Klimpel; K. Luksa; M. Burda

    2010-01-01

    Purpose: In the combat vehicles many materials can be used for the armour. Application of the monolithic armour plates in light combat vehicles is limited by the high armour weigh. Introduction of the layered armour plates is a way to limit the vehicle weight. In the paper test results of graded and nanostructural GMA surfaced armour plates are presented.Design/methodology/approach: Metallographic structure, chemical composition and hardness of surfaced layers were investigated in order to ex...

  7. Packing defects into ordered structures

    DEFF Research Database (Denmark)

    Bechstein, R.; Kristoffersen, Henrik Høgh; Vilhelmsen, L.B.

    2012-01-01

    . With the help of density functional theory calculations we develop a complete structural model for the entire strand and demonstrate these adstructures to be more stable than an equivalent amount of bulk defects such as Ti interstitials. We argue that strands can form particularly easy on stepped surfaces......We have studied vicinal TiO2(110) surfaces by high-resolution scanning tunneling microscopy and density functional theory calculations. On TiO2 surfaces characterized by a high density of ⟨11̅ 1⟩ steps, scanning tunneling microscopy reveals a high density of oxygen-deficient strandlike adstructures...

  8. Influence of the crystallographic structure of the electrode surface on the structure of the electrical double layer and adsorption of organic molecules

    International Nuclear Information System (INIS)

    Kochorovski, Z.; Zagorska, I.; Pruzhkovska-Drakhal, R.; Trasatti, S.

    1995-01-01

    The results of systematic investigation of influence of crystal structure of Bi-, Sb- and Cd-electrode surfaces on regularities of double electric layer structure in aqueous and nonaqueous solutions of surface-nonactive electrolyte are given. Influence of electrode surface characteristics on adsorptive behaviour of different organic molecules has been studied. General regularities of of chemical nature influence and surface crystallographic structure on the double layer structure and on organic compounds adsorption have been established. 57 refs., 7 figs., 4 tabs

  9. Spontaneous dissociation of a conjugated molecule on the Si(100) surface

    DEFF Research Database (Denmark)

    Lin, Rong; Galili, Michael; Quaade, Ulrich

    2002-01-01

    The adsorption mechanism of alpha-sexithiophene (alpha-6T) on the clean Si(100)-(2x1) surface has been investigated using scanning tunneling microscopy (STM) and first principles electronic structure calculations. We find that at submonolayer coverage, the alpha-6T molecules are not stable and di...

  10. 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.

  11. Structural features and activity of Brazzein and its mutants upon substitution of a surfaced exposed alanine.

    Science.gov (United States)

    Ghanavatian, Parisa; Khalifeh, Khosrow; Jafarian, Vahab

    2016-12-01

    Brazzein (Brz) is a member of sweet-tasting protein containing four disulfide bonds. It was reported as a compact and heat-resistant protein. Here, we have used site-directed mutagenesis and replaced a surface-exposed alanine with aspartic acid (A19D mutant), lysine (A19K mutant) and glycine (A19G mutant). Activity comparisons of wild-type (WT) and mutants using taste panel test procedure showed that A19G variant has the same activity as WT protein. However, introduction of a positive charge in A19K mutant led to significant increase in Brz's sweetness, while A19D has reduced sweetness compared to WT protein. Docking studies showed that mutation at position 19 results in slight chain mobility of protein at the binding surface and changing the patterns of interactions toward more effective binding of E9K variant in the concave surface of sweet taste receptor. Far-UV CD data spectra have a characteristic shape of beta structure for all variants, however different magnitudes of spectra suggest that beta-sheet structure in WT and A19G is more stable than that of A19D and A19K. Equilibrium unfolding studies with fluorescence spectroscopy and using urea and dithiothritol (DTT) as chemical denaturants indicates that A19G mutant gains more stability against urea denaturation; while conformational stability of A19D and A19K decreases when compared with WT and A19G variants. We concluded that the positive charge at the surface of protein is important factor responsible for the interaction of protein with the human sweet receptor and Ala 19 can be considered as a key region for investigating the mechanism of the interaction of Brz with corresponding receptor. Copyright © 2016 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

  12. Surface geometry of BaO on W(100): A surface-extended x-ray-absorption fine-structure study

    International Nuclear Information System (INIS)

    Shih, A.; Hor, C.; Elam, W.; Kirkland, J.; Mueller, D.

    1991-01-01

    A surface-extended x-ray-absorption fine-structure study of ordered monolayers of coadsorbed barium and oxygen on a single-crystal W(100) surface is described. A (√2 x √2 )R45 degree structure with a stoichiometric barium-to-oxygen ratio, and a (2 √2 x √2 )R45 degree structure with a nearly 1:2 barium-to-oxygen atomic ratio both form on W(100). The surface-extended x-ray-absorption fine-structure results indicate that all the barium and oxygen atoms are nearly coplanar in the (√2 x √2 )R45 degree overlayer. The Ba-to-O distance in this overlayer is 3.20 ±0.05 A and β=82 degree ±5 degree, where β is the angle between the Ba-O internuclear axis and the surface normal. For the (2 √2 x √2 )R45 degree overlayer, there are two types of oxygen sites. Oxygen atoms nearly coplanar with the barium atoms are also present in these films with a Ba-to-O distance of 3.27±0.05 A and β=75±4 degree. Additional oxygen atoms lie outside the barium plane at a distance 2.03±0.05 A and β=23±10 degree from the nearest barium atoms

  13. Electronic structure at metal-smiconductor surfaces and interfaces: effects of disorder

    International Nuclear Information System (INIS)

    Rodrigues, D.E.

    1988-01-01

    The main concern of this work is the study of the electronic structure at metal and semiconductor surfaces or interfaces, with special emphasis in the effects of disorder and local microstructure upon them. Various factors which determine this structure are presented and those of central importance are identified. A model that allows the efficient and exact calculation of the local density of states at disordered interfaces is described. This model is based on a tight-binding hamiltonian that has enough flexibility so as to allow an adequate description of real solids. The disorder is taken into account by including stochastic perturbations in the diagonal elements of the hamiltonian in a site orbital basis. These perturbations are taken at each layer from a lorentzian probability distribution. An exact expression for the calculation of the local density of states is derived and applied to a model surface built up from a type orbitals arranged in a simple cubic lattice. The effects of disorder on the local densities of states and on the existence of surface Tamm states are studied. The properties of the electronic states with this kind of model of disorder are considered. The self-consistent calculation of the electronic structure of the Si(111) - (1x1) surface is presented. The effects of disorder on the electronic properties such as the work function or the position of surface states within the gap are evaluated. The surface of the metallic compound NiSi 2 is also treated. The first self-consistent calculation of the electronic structure of its (111) surface is presented. The electronic structure of the Si/NiSi 2 (111) interfaces is calculated for the two types of junctions that can be grown experimentally. The origin of the difference between the Schottky barrier heights at both interfaces is discussed. The results are compared with available experimental data. The implications of this calculation on existing theories about the microscopic mechanism that causes

  14. Fabrication of Nano-Micro Hybrid Structures by Replication and Surface Treatment of Nanowires

    Directory of Open Access Journals (Sweden)

    Yeonho Jeong

    2017-07-01

    Full Text Available Nanowire structures have attracted attention in various fields, since new characteristics could be acquired in minute regions. Especially, Anodic Aluminum Oxide (AAO is widely used in the fabrication of nanostructures, which has many nanosized pores and well-organized nano pattern. Using AAO as a template for replication, nanowires with a very high aspect ratio can be fabricated. Herein, we propose a facile method to fabricate a nano-micro hybrid structure using nanowires replicated from AAO, and surface treatment. A polymer resin was coated between Polyethylene terephthalate (PET and the AAO filter, roller pressed, and UV-cured. After the removal of aluminum by using NaOH solution, the nanowires aggregated to form a micropattern. The resulting structure was subjected to various surface treatments to investigate the surface behavior and wettability. As opposed to reported data, UV-ozone treatment can enhance surface hydrophobicity because the UV energy affects the nanowire surface, thus altering the shape of the aggregated nanowires. The hydrophobicity of the surface could be further improved by octadecyltrichlorosilane (OTS coating immediately after UV-ozone treatment. We thus demonstrated that the nano-micro hybrid structure could be formed in the middle of nanowire replication, and then, the shape and surface characteristics could be controlled by surface treatment.

  15. Replication quality control of metal and polymer micro structured optical surfaces

    DEFF Research Database (Denmark)

    Gasparin, Stefania; Tosello, Guido; Hansen, Hans Nørgaard

    2011-01-01

    replication methods based on polymer casting. The replica method is used in order to avoid damages of the structures and make feasible the measurement of optical specimens with non-contact instruments. Results show a quality replication equal to 95 - 99%. In both investigations the uncertainty......Non contact measurements are preferred for the characterization of ultra-finely finished surfaces which is particularly challenging if damages of the structures should be avoided. However, it is not always possible to use these methods because low roughness in metallic materials, as optical...... surfaces, quite often results in mirror-like surfaces which scatter the light and invalidate the optical measurements. This paper focuses on an analysis of a micro-structured optical component and the corresponding mould. A first investigation leads to a control of the manufacturing process through...

  16. Biomimetic surface structuring using cylindrical vector femtosecond laser beams

    Science.gov (United States)

    Skoulas, Evangelos; Manousaki, Alexandra; Fotakis, Costas; Stratakis, Emmanuel

    2017-03-01

    We report on a new, single-step and scalable method to fabricate highly ordered, multi-directional and complex surface structures that mimic the unique morphological features of certain species found in nature. Biomimetic surface structuring was realized by exploiting the unique and versatile angular profile and the electric field symmetry of cylindrical vector (CV) femtosecond (fs) laser beams. It is shown that, highly controllable, periodic structures exhibiting sizes at nano-, micro- and dual- micro/nano scales can be directly written on Ni upon line and large area scanning with radial and azimuthal polarization beams. Depending on the irradiation conditions, new complex multi-directional nanostructures, inspired by the Shark’s skin morphology, as well as superhydrophobic dual-scale structures mimicking the Lotus’ leaf water repellent properties can be attained. It is concluded that the versatility and features variations of structures formed is by far superior to those obtained via laser processing with linearly polarized beams. More important, by exploiting the capabilities offered by fs CV fields, the present technique can be further extended to fabricate even more complex and unconventional structures. We believe that our approach provides a new concept in laser materials processing, which can be further exploited for expanding the breadth and novelty of applications.

  17. Solutions for the stable roommates problem with payments

    NARCIS (Netherlands)

    Biró, Péter; Bomhoff, M.J.; Golovach, Petr A.; Kern, Walter

    2014-01-01

    The stable roommates problem with payments has as input a graph G = (V , E ) with an edge weighting w : E → R≥0 and the problem is to find a stable solution. By pinpointing a relationship to the accessibility of the coalition structure core of matching games, we give a constructive proof for showing

  18. Comparative study on two different seal surface structure for reactor pressure vessel sealing behavior

    International Nuclear Information System (INIS)

    Chen Jun; Xiong Guangming; Deng Xiaoyun

    2014-01-01

    The seal surface structure is very important to reactor pressure vessel (RPV) sealing behavior. In this paper, two 3-D RPV sealing analysis finite models have been established with different seal surface structures, in order to study the influence of two structures. The separation of RPV upper and lower flanges, bolt loads and etc. are obtained, which are used to evaluate the sealing behavior of the RPV. Meanwhile, the comparative analysis of safety margin of two seal surface structural had been done, which provides the theoretical basis for RPV seal structure design optimization. (authors)

  19. The role of (sub)-surface oxygen on the surface electronic structure of hydrogen terminated (100) CVD diamond

    NARCIS (Netherlands)

    Deferme, W.; Tanasa, G.; Amir, J.; Haenen, K.; Nesladek, M.; Flipse, C.F.J.

    2006-01-01

    In this work, scanning tunnelling microscopy (STM) and scanning tunnelling spectroscopy (STS) were applied to investigate the surface morphol. and the surface electronic structure of plasma-treated (100)-oriented CVD diamond films. These films were hydrogenated using a conventional MWPE-CVD

  20. Electrostatic cloaking of surface structure for dynamic wetting

    Science.gov (United States)

    Shiomi, Junichiro; Nita, Satoshi; Do-Quang, Minh; Wang, Jiayu; Chen, Yu-Chung; Suzuki, Yuji; Amberg, Gustav

    2017-11-01

    Dynamic wetting problems are fundamental to the understanding of the interaction between liquids and solids. Even in a superficially simple experimental situation, such as a droplet spreading over a dry surface, the result may depend not only on the liquid properties but also strongly on the substrate-surface properties; even for macroscopically smooth surfaces, the microscopic geometrical roughness can be important. In addition, as surfaces may often be naturally charged, or electric fields are used to manipulate fluids, electric effects are crucial components that influence wetting phenomena. Here we investigate the interplay between electric forces and surface structures in dynamic wetting. While surface microstructures can significantly hinder the spreading, we find that the electrostatics can ``cloak'' the microstructures, i.e. deactivate the hindering. We identify the physics in terms of reduction in contact-line friction, which makes the dynamic wetting inertial force dominant and insensitive to the substrate properties. This work was financially supported in part by, the Japan Society for the Promotion of Science, Swedish Governmental Agency for Innovation Systems, and the Japan Science and Technology Agency.

  1. Characterising flow regime and interrelation between surface-water and ground-water in the Fuente de Piedra salt lake basin by means of stable isotopes, hydrogeochemical and hydraulic data

    Science.gov (United States)

    Kohfahl, Claus; Rodriguez, Miguel; Fenk, Cord; Menz, Christian; Benavente, Jose; Hubberten, Hans; Meyer, Hanno; Paul, Liisa; Knappe, Andrea; López-Geta, Juan Antonio; Pekdeger, Asaf

    2008-03-01

    SummaryThis research reports the characterisation of ground- and surface-water interaction in the Fuente de Piedra Salt lake basin in southern Spain by a combined approach using hydraulic, hydrogeochemical and stable isotope data. During three sampling campaigns (February 2004, 2005 and October 2005) ground- and surface-water samples were collected for stable isotope studies ( 18O, D) and for major and minor ion analysis. Hydraulic measurements at multilevel piezometers were carried out at four different locations around the lake edge. Conductivity logs were performed at four piezometers located along a profile at the northern lake border and at two deeper piezometers in the Miocene basin at a greater distance from the lake. To describe processes that control the brine evolution different hydrogeochemical simulations were performed. Hydrogeochemical data show a variety of brines related to thickness variations of lacustrine evaporites around the lake. Salinity profiles in combination with stable isotope and hydraulic data indicate the existence of convection cells and recycled brines. Furthermore restricted ground-water inflow into the lake was detected. Dedolomitisation processes were identified by hydrogeochemical simulations and different brine origins were reproduced by inverse modelling approaches.

  2. Nitrogen Fate in a Phreatic Fluviokarst Watershed: a Stable Isotope, Sediment Tracing, and Numerical Modeling Approach

    Science.gov (United States)

    Husic, A.; Fox, J.; Ford, W. I., III; Agouridis, C.; Currens, J. C.; Taylor, C. J.

    2017-12-01

    Sediment tracing tools provide an insight into provenance, fate, and transport of sediment and, when coupled to stable isotopes, can elucidate in-stream biogeochemical processes. Particulate nitrogen fate in fluviokarst systems is a relatively unexplored area of research partially due to the complex hydrodynamics at play in karst systems. Karst topography includes turbulent conduits that transport groundwater and contaminants at speeds more typical of open channel flows than laminar Darcian flows. While it is accepted that karst hydro-geomorphology represents a hybrid surface-subsurface system for fluid, further investigation is needed to determine whether, and to what extent, karst systems behave like surface agricultural streams or porous media aquifers with respect to their role in nitrogen cycling. Our objective is to gain an understanding of in-conduit nitrogen processes and their effect on net nitrogen-exports from karst springs to larger waterbodies. The authors apply water, sediment, carbon, and nitrogen tracing techniques to analyze water for nitrate, sediment carbon and nitrogen, and stable sediment nitrogen isotope (δ15N). Thereafter, a new numerical model is formulated that: simulates dissolved inorganic nitrogen and sediment nitrogen transformations in the phreatic karst conduit; couples carbon turnover and nitrogen transformations in the model structure; and simulates the nitrogen stable isotope mass balance for the dissolved and sediment phases. Nitrogen tracing data results show a significant increase in δ15N of sediment nitrogen at the spring outlet relative to karst inputs indicating the potential for isotope fractionation during dissolved N uptake by bed sediments in the conduit and during denitrification within bed sediments. The new numerical modeling structure is then used to reproduce the data results and provide an estimate of the relative dominance of N uptake and denitrification within the surficial sediments of the karst conduit system

  3. Structure of metal-rich (001) surfaces of III-V compound semiconductors

    DEFF Research Database (Denmark)

    Kumpf, C.; Smilgies, D.; Landemark, E.

    2001-01-01

    The atomic structure of the group-III-rich surface of III-V semiconductor compounds has been under intense debate for many years, yet none of the models agrees with the experimental data available. Here we present a model for the three-dimensional structure of the (001)-c(8x2) reconstruction on In......(8 x 2) reconstructions of III-V semiconductor surfaces contain the same essential building blocks....

  4. Fundamental understanding of oxygen reduction and reaction behavior and developing high performance and stable hetero-structured cathodes

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xingbo [West Virginia Univ., Morgantown, WV (United States)

    2016-11-14

    New unique hetero-structured cathode has been developed in this project. La2NiO4+δ (LNO) as a surface catalyst with interstitial oxygen defects was introduced onto the state-of-the-art (La0.6Sr0.4)0.95Co0.2Fe0.8O3-δ (LSCF) cathode to enhance the surface-limited ORR kinetics on SOFC cathode. Furthermore, the hetero-structured cathode surface maintains high activity under electrode polarization with much less negative effects from surface cation segregation of Sr, which is known to cause degradation issues for conventional LSCF and LSC cathodes, thus improving the cathode long-term stability. The interface chemistry distribution and oxygen transport properties have been studied to prove the enhancement of power out and stability of LNO-infiltrated LSCF cathode. The further investigation demonstrates that CeO2 & La2-xNiO4+δ (x=0-0.2) co-infiltration is a simple and cost-effective method to improve both performance and stability of LSCF cathode by limiting nano-particles growth/delamination and further improve the surface stability. For the first time, a physical model is proposed to illustrate how unique interstitial species on hetero-structured cathode surface work to regulate the exchange rate of the incorporation reaction. Meanwhile, fundamental investigation of the surface oxygen exchange and bulk oxygen transport properties under over-potential conditions across cathode materials have been carried out in this project, which were discussed and compared to the Nernst equation that is generally applied to treat any oxide electrodes under equilibrium.

  5. Temperature stable LiNbO3 surface acoustic wave device with diode sputtered amorphous TeO2 over-layer

    International Nuclear Information System (INIS)

    Dewan, Namrata; Tomar, Monika; Gupta, Vinay; Sreenivas, K.

    2005-01-01

    Amorphous TeO 2 thin film, sputtered in the O 2 +Ar(25%+75%) gas environment using a metallic tellurium target, has been identified as an attractive negative temperature coefficient of delay (TCD) material that can yield a temperature stable device when combined with a surface acoustic wave (SAW) device based on positive TCD material such as LiNbO 3 . The influence of amorphous TeO 2 over-layer on the SAW propagation characteristics (velocity and temperature coefficient of delay) of the SAW filters (36 and 70 MHz) based on 128 deg. rotated Y-cut X-propagating lithium niobate (128 deg. Y-X LiNbO 3 ) single crystal has been studied. It is found that 0.042 λ thick TeO 2 over-layer on a prefabricated SAW device operating at 36 MHz centre frequency, reduces the TCD of the device from 76 ppm deg. C -1 to almost zero (∼1.4 ppm deg. C -1 ) without deteriorating its efficiency and could be considered as a suitable alternative for temperature stable devices in comparison to conventional SiO 2 over-layer

  6. A physiological skeletal model for radionuclide and stable element biokinetics in children and adults

    International Nuclear Information System (INIS)

    Richardson, R.B.

    2010-01-01

    A physiological skeletal model (PSM) is described that represents the skeletal uptake, retention and clearance of both bone-surface-seeking and bone-volume-seeking radionuclides and stable elements. A key objective of the PSM is to model the higher skeletal growth and bone turnover in infants and children (compared to adults) in order to to account for their greater uptake and cancer risk from bone-seeking contaminants such as lead and plutonium. The PSM is a compartmental model that allows for the incorporation of organic and inorganic material in the bone volume via quiescent bone surfaces, forming bone surfaces and the lacuno-canaliculi system. The model uniquely incorporates a tertiary phase of mineralization via bone fluids. The PSM's structural concepts and biokinetic parameters - such as realistic mass transfers, organ and tissue masses, and bone remodelling half times - are selected mainly on the basis of physiological and anatomical criteria. For brevity, model parameter values or evaluated for adults only. The PSM is an improvement on existing skeletal models that are based more on compartment structures and pathways that rendered good fits to biokinetic data rather than on being anatomically and physiologically accurate. (author)

  7. Electronic structure studies of a clock-reconstructed Al/Pd(1 0 0) surface alloy

    Science.gov (United States)

    Kirsch, Janet E.; Tainter, Craig J.

    We have employed solid-state Fenske-Hall band structure calculations to examine the electronic structure of Al/Pd(1 0 0), a surface alloy that undergoes a reconstruction, or rearrangement, of the atoms in the top few surface layers. Surface alloys are materials that consist primarily of a single elemental metal, but which have a bimetallic surface composition that is only a few atomic layers in thickness. The results of this study indicate that reconstruction into a clock configuration simultaneously optimizes the intralayer bonding within the surface plane and the bonding between the first and second atomic layers. These results also allow us to examine the fundamental relationship between the electronic and physical structures of this reconstructed surface alloy.

  8. Mimicking lizard-like surface structures upon ultrashort laser pulse irradiation of inorganic materials

    Science.gov (United States)

    Hermens, U.; Kirner, S. V.; Emonts, C.; Comanns, P.; Skoulas, E.; Mimidis, A.; Mescheder, H.; Winands, K.; Krüger, J.; Stratakis, E.; Bonse, J.

    2017-10-01

    Inorganic materials, such as steel, were functionalized by ultrashort laser pulse irradiation (fs- to ps-range) to modify the surface's wetting behavior. The laser processing was performed by scanning the laser beam across the surface of initially polished flat sample material. A systematic experimental study of the laser processing parameters (peak fluence, scan velocity, line overlap) allowed the identification of different regimes associated with characteristic surface morphologies (laser-induced periodic surface structures, grooves, spikes, etc.). Analyses of the surface using optical as well as scanning electron microscopy revealed morphologies providing the optimum similarity to the natural skin of lizards. For mimicking skin structures of moisture-harvesting lizards towards an optimization of the surface wetting behavior, additionally a two-step laser processing strategy was established for realizing hierarchical microstructures. In this approach, micrometer-scaled capillaries (step 1) were superimposed by a laser-generated regular array of small dimples (step 2). Optical focus variation imaging measurements finally disclosed the three dimensional topography of the laser processed surfaces derived from lizard skin structures. The functionality of these surfaces was analyzed in view of wetting properties.

  9. Laser machining micro-structures on diamond surface with a sub-nanosecond pulsed laser

    Science.gov (United States)

    Wu, Mingtao; Guo, Bing; Zhao, Qingliang

    2018-02-01

    Micro-structure surface on diamond material is widely used in a series of industrial and scientific applications, such as micro-electromechanical systems (MEMS), nanoelectromechanical systems (NEMS), microelectronics, textured or micro-structured diamond machining tools. The efficient machining of micro-structure on diamond surface is urgently demanded in engineering. In this paper, laser machining square micro-structure on diamond surface was studied with a sub-nanosecond pulsed laser. The influences of laser machining parameters, including the laser power, scanning speed, defocusing quantity and scanning pitch, were researched in view of the ablation depth, material removal rate and machined surface topography. Both the ablation depth and material removal rate increased with average laser power. A reduction of the growth rate of the two parameters was induced by the absorption of the laser plasma plume at high laser power. The ablation depth non-linearly decreased with the increasing of the scanning speed while the material removal rate showed an opposite tendency. The increasing of the defocusing quantity induced complex variation of the ablation depth and the material removal rate. The maximum ablation depth and material removal rate were achieved at a defocusing position. The ablation depth and material removal rate oppositely varied about the scanning pitch. A high overlap ratio was meaningful for achieving a smooth micro-structure surface topography. Laser machining with a large defocusing quantity, high laser power and small scanning pitch was helpful for acquiring the desired micro-structure which had a large depth and smooth micro-structure surface topography.

  10. Three-dimensional hydration layer mapping on the (10.4) surface of calcite using amplitude modulation atomic force microscopy.

    Science.gov (United States)

    Marutschke, Christoph; Walters, Deron; Walters, Deron; Hermes, Ilka; Bechstein, Ralf; Kühnle, Angelika

    2014-08-22

    Calcite, the most stable modification of calcium carbonate, is a major mineral in nature. It is, therefore, highly relevant in a broad range of fields such as biomineralization, sea water desalination and oil production. Knowledge of the surface structure and reactivity of the most stable cleavage plane, calcite (10.4), is pivotal for understanding the role of calcite in these diverse areas. Given the fact that most biological processes and technical applications take place in an aqueous environment, perhaps the most basic - yet decisive - question addresses the interaction of water molecules with the calcite (10.4) surface. In this work, amplitude modulation atomic force microscopy is used for three-dimensional (3D) mapping of the surface structure and the hydration layers above the surface. An easy-to-use scanning protocol is implemented for collecting reliable 3D data. We carefully discuss a comprehensible criterion for identifying the solid-liquid interface within our data. In our data three hydration layers form a characteristic pattern that is commensurate with the underlying calcite surface.

  11. Three-dimensional hydration layer mapping on the (10.4) surface of calcite using amplitude modulation atomic force microscopy

    International Nuclear Information System (INIS)

    Marutschke, Christoph; Hermes, Ilka; Bechstein, Ralf; Kühnle, Angelika; Walters, Deron; Cleveland, Jason

    2014-01-01

    Calcite, the most stable modification of calcium carbonate, is a major mineral in nature. It is, therefore, highly relevant in a broad range of fields such as biomineralization, sea water desalination and oil production. Knowledge of the surface structure and reactivity of the most stable cleavage plane, calcite (10.4), is pivotal for understanding the role of calcite in these diverse areas. Given the fact that most biological processes and technical applications take place in an aqueous environment, perhaps the most basic—yet decisive—question addresses the interaction of water molecules with the calcite (10.4) surface. In this work, amplitude modulation atomic force microscopy is used for three-dimensional (3D) mapping of the surface structure and the hydration layers above the surface. An easy-to-use scanning protocol is implemented for collecting reliable 3D data. We carefully discuss a comprehensible criterion for identifying the solid–liquid interface within our data. In our data three hydration layers form a characteristic pattern that is commensurate with the underlying calcite surface. (paper)

  12. Stable convergence and stable limit theorems

    CERN Document Server

    Häusler, Erich

    2015-01-01

    The authors present a concise but complete exposition of the mathematical theory of stable convergence and give various applications in different areas of probability theory and mathematical statistics to illustrate the usefulness of this concept. Stable convergence holds in many limit theorems of probability theory and statistics – such as the classical central limit theorem – which are usually formulated in terms of convergence in distribution. Originated by Alfred Rényi, the notion of stable convergence is stronger than the classical weak convergence of probability measures. A variety of methods is described which can be used to establish this stronger stable convergence in many limit theorems which were originally formulated only in terms of weak convergence. Naturally, these stronger limit theorems have new and stronger consequences which should not be missed by neglecting the notion of stable convergence. The presentation will be accessible to researchers and advanced students at the master's level...

  13. Atomic Structure of a Spinel-like Transition Al2O3 (100) Surface

    DEFF Research Database (Denmark)

    Jensen, Thomas Nørregaard; Meinander, Kristoffer; Helveg, Stig

    2014-01-01

    We study a crystalline epitaxial alumina thin film with the characteristics of a spinel-type transition Al2O3(100) surface by using atom-resolved noncontact atomic force microscopy and density functional theory. It is shown that the films are terminated by an Al-O layer rich in Al vacancies......, exhibiting a strong preference for surface hydroxyl group formation in two configurations. The transition alumina films are crystalline and perfectly stable in ambient atmospheres, a quality which is expected to open the door to new fundamental studies of the surfaces of transition aluminas....

  14. In Situ Studies of the Temperature-Dependent Surface Structure and Chemistry of Single-Crystalline (001)-Oriented La 0.8 Sr 0.2 CoO 3−δ Perovskite Thin Films

    KAUST Repository

    Feng, Zhenxing; Crumlin, Ethan J.; Hong, Wesley T.; Lee, Dongkyu; Mutoro, Eva; Biegalski, Michael D.; Zhou, Hua; Bluhm, Hendrik; Christen, Hans M.; Shao-Horn, Yang

    2013-01-01

    Perovskites are used to promote the kinetics of oxygen electrocatalysis in solid oxide fuel cells and oxygen permeation membranes. Little is known about the surface structure and chemistry of perovskites at high temperatures and partial oxygen pressures. Combining in situ X-ray reflectivity (XRR) and in situ ambient pressure X-ray photoelectron spectroscopy (APXPS), we report, for the first time, the evolution of the surface structure and chemistry of (001)-oriented perovskite La0.8Sr0.2CoO 3-δ (LSC113) and (La0.5Sr 0.5)2CoO4+δ (LSC214)-decorated LSC113 (LSC113/214) thin films as a function of temperature. Heating the (001)-oriented LSC113 surface leads to the formation of surface LSC214-like particles, which is further confirmed by ex situ Auger electron spectroscopy (AES). In contrast, the LSC113/214 surface, with activities much higher than that of LSC 113, is stable upon heating. Combined in situ XRR and APXPS measurements support that Sr enrichment may occur at the LSC113 and LSC214 interface, which can be responsible for its markedly enhanced activities. © 2013 American Chemical Society.

  15. In Situ Studies of the Temperature-Dependent Surface Structure and Chemistry of Single-Crystalline (001)-Oriented La 0.8 Sr 0.2 CoO 3−δ Perovskite Thin Films

    KAUST Repository

    Feng, Zhenxing

    2013-05-02

    Perovskites are used to promote the kinetics of oxygen electrocatalysis in solid oxide fuel cells and oxygen permeation membranes. Little is known about the surface structure and chemistry of perovskites at high temperatures and partial oxygen pressures. Combining in situ X-ray reflectivity (XRR) and in situ ambient pressure X-ray photoelectron spectroscopy (APXPS), we report, for the first time, the evolution of the surface structure and chemistry of (001)-oriented perovskite La0.8Sr0.2CoO 3-δ (LSC113) and (La0.5Sr 0.5)2CoO4+δ (LSC214)-decorated LSC113 (LSC113/214) thin films as a function of temperature. Heating the (001)-oriented LSC113 surface leads to the formation of surface LSC214-like particles, which is further confirmed by ex situ Auger electron spectroscopy (AES). In contrast, the LSC113/214 surface, with activities much higher than that of LSC 113, is stable upon heating. Combined in situ XRR and APXPS measurements support that Sr enrichment may occur at the LSC113 and LSC214 interface, which can be responsible for its markedly enhanced activities. © 2013 American Chemical Society.

  16. Effect of nanoscale flows on the surface structure of nanoporous catalysts.

    Science.gov (United States)

    Montemore, Matthew M; Montessori, Andrea; Succi, Sauro; Barroo, Cédric; Falcucci, Giacomo; Bell, David C; Kaxiras, Efthimios

    2017-06-07

    The surface structure and composition of a multi-component catalyst are critical factors in determining its catalytic performance. The surface composition can depend on the local pressure of the reacting species, leading to the possibility that the flow through a nanoporous catalyst can affect its structure and reactivity. Here, we explore this possibility for oxidation reactions on nanoporous gold, an AgAu bimetallic catalyst. We use microscopy and digital reconstruction to obtain the morphology of a two-dimensional slice of a nanoporous gold sample. Using lattice Boltzmann fluid dynamics simulations along with thermodynamic models based on first-principles total-energy calculations, we show that some sections of this sample have low local O 2 partial pressures when exposed to reaction conditions, which leads to a pure Au surface in these regions, instead of the active bimetallic AgAu phase. We also explore the effect of temperature on the surface structure and find that moderate temperatures (≈300-450 K) should result in the highest intrinsic catalytic performance, in apparent agreement with experimental results.

  17. Band-structure-based collisional model for electronic excitations in ion-surface collisions

    International Nuclear Information System (INIS)

    Faraggi, M.N.; Gravielle, M.S.; Alducin, M.; Silkin, V.M.; Juaristi, J.I.

    2005-01-01

    Energy loss per unit path in grazing collisions with metal surfaces is studied by using the collisional and dielectric formalisms. Within both theories we make use of the band-structure-based (BSB) model to represent the surface interaction. The BSB approach is based on a model potential and provides a precise description of the one-electron states and the surface-induced potential. The method is applied to evaluate the energy lost by 100 keV protons impinging on aluminum surfaces at glancing angles. We found that when the realistic BSB description of the surface is used, the energy loss obtained from the collisional formalism agrees with the dielectric one, which includes not only binary but also plasmon excitations. The distance-dependent stopping power derived from the BSB model is in good agreement with available experimental data. We have also investigated the influence of the surface band structure in collisions with the Al(100) surface. Surface-state contributions to the energy loss and electron emission probability are analyzed

  18. Formation of ZnO-Cd(OH){sub 2} core-shell nanoparticles by sol-gel method: An approach to modify surface chemistry for stable and enhanced green emission

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Rupali, E-mail: rupalimishra@rediffmail.co [Department of Physics, University of Allahabad, Allahabad-211002 (India); Nanophosphor Application Centre, University of Allahabad, Allahabad-211002 (India); Yadav, Raghvendra S.; Pandey, Avinash C. [Department of Physics, University of Allahabad, Allahabad-211002 (India); Nanophosphor Application Centre, University of Allahabad, Allahabad-211002 (India); Sanjay, Sharda. S. [Department of Chemistry, Ewing Christian College, Allahabad (India); Dar, Chitra [Department of Physics, University of Allahabad, Allahabad-211002 (India)

    2010-03-15

    We report the formation of highly stable and luminescent ZnO-Cd(OH){sub 2} core-shell nanoparticles by simple introduction of cadmium salt in the initial precursor solution, used to synthesize ZnO nanoparticles by sol-gel route. The cadmium to zinc salt concentration ratio has been also varied to control the growth of ZnO nanoparticles at the smaller particle size. Formation of ZnO-Cd(OH){sub 2} core-shell nanostructure has been confirmed by X-ray diffraction (XRD), energy dispersive analysis of X-rays (EDAX) and X-ray photoelectron spectroscopy (XPS). UV-vis absorption spectroscopy exhibits blue-shift in absorption edge on increasing cadmium concentrations. The photoluminescence emission spectra showed the remarkably stable and enhanced visible (green) emission from suspended ZnO-Cd(OH){sub 2} nanoparticles in comparison to bare ZnO nanoparticles. It is postulated that Cd(OH){sub 2} layer at the surface of ZnO nanoparticles prevents the agglomeration of nanoparticles and efficiently assists the trapping of hole at the surface site, a first step necessary for visible emission. The Fourier transform infrared spectroscopy (FTIR) also supports our assumption about surface chemistry.

  19. Calcite surface structure and reactivity: molecular dynamics simulations and macroscopic surface modelling of the calcite-water interface

    NARCIS (Netherlands)

    Wolthers, M.; Di Tommaso, D.; Du, Z.; de Leeuw, N.H.

    2012-01-01

    Calcite–water interactions are important not only in carbon sequestration and the global carbon cycle, but also in contaminant behaviour in calcite-bearing host rock and in many industrial applications. Here we quantify the effect of variations in surface structure on calcite surface reactivity.

  20. Hardness and structure changes at surface in electrical discharge machined steel C 3840

    International Nuclear Information System (INIS)

    Karastojkovic, Z.; Janjusevic, Z.

    2003-01-01

    The electrical discharge machining (EDM) of both hard and soft materials became an important technique in industrial applications. This technique has an advantage in producing of structural/tool parts of complex geometry. The EDM is based on electrical phenomena, when the treated surface undergoes to erosion. The first step in EDM, the melting of thin surface layer, frequently is neglected. In this paper the changes of hardness and structure at surface layer, after EDM is applied on steel C 3840, will be discussed. The steel C- 3840 was quenched and tempered to hardness of 63 HRC, at surface, and than machined by electrical discharging. The changed, white, layer is just a product of melting and decarburization processes. The white layer is registered at surface by using a metallographic investigation. Hardness profile is measured from surface to the interior of material. The achievement of local high temperatures during EDM is resulting on melt and erosion of material. Besides of these effects, during EDM were happened some minor but not a neglectible effects, primary on structure changes on treated surface. It would be expected that melting, even an evaporation of melted metal, and further the phase transformation have an important influence on the starting structure. (Original)

  1. Color effects from scattering on random surface structures in dielectrics

    DEFF Research Database (Denmark)

    Clausen, Jeppe; Christiansen, Alexander B; Garnæs, Jørgen

    2012-01-01

    We show that cheap large area color filters, based on surface scattering, can be fabricated in dielectric materials by replication of random structures in silicon. The specular transmittance of three different types of structures, corresponding to three different colors, have been characterized...

  2. Is bicarbonate stable in and on the calcite surface?

    DEFF Research Database (Denmark)

    Andersson, Martin Peter; Rodriguez Blanco, Juan Diego; Stipp, Susan Louise Svane

    2016-01-01

    We have used density functional theory with the COSMO-RS implicit solvent model to predict the pKa for the deprotonation of bicarbonate to carbonate, i.e. HCO3− CO32− + H+, when HCO3− is included in, and adsorbed on, a calcite surface. We have used cluster models (80–100 atoms) to represent...... the flat {10.4} surface, acute steps, obtuse steps, two types of kinks on the acute step and two types of kinks on the obtuse steps. Based on the predicted pKa values, which range from −6.0 to 2.4 depending on the surface site, we conclude that bicarbonate deprotonates to carbonate when it is in calcite...... even when pH in solution is very low. This is true for all surface sites, even for solutions where 2.4 bicarbonate is adsorbed on calcite, the predicted pKa for deprotonation is 7.5, which is ∼3 pH units lower than in aqueous solution...

  3. Evolution Of Lattice Structure And Chemical Composition Of The Surface Reconstruction Layer In Li1.2Ni0.2Mn0.6O2 Cathode Material For Lithium Ion Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Pengfei; Nie, Anmin; Zheng, Jianming; Zhou, Yungang; Lu, Dongping; Zhang, Xiaofeng; Xu, Rui; Belharouak, Ilias; Zu, Xiaotao; Xiao, Jie; Amine, Khalil; Liu, Jun; Gao, Fei; Shahbazian-Yassar, Reza; Zhang, Jiguang; Wang, Chong M.

    2015-01-14

    Voltage and capacity fading of layer structured lithium and manganese rich (LMR) transition metal oxide is directly related to the structural and composition evolution of the material during the cycling of the battery. However, understanding such evolution at atomic level remains elusive. Based on atomic level structural imaging, elemental mapping of the pristine and cycled samples and density functional theory calculations, it is found that accompanying the hoping of Li ions is the simultaneous migration of Ni ions towards the surface from the bulk lattice, leading to the gradual depletion of Ni in the bulk lattice and thickening of a Ni enriched surface reconstruction layer (SRL). Furthermore, Ni and Mn also exhibit concentration partitions within the thin layer of SRL in the cycled samples where Ni is almost depleted at the very surface of the SRL, indicating the preferential dissolution of Ni ions in the electrolyte. Accompanying the elemental composition evolution, significant structural evolution is also observed and identified as a sequential phase transition of C2/m →I41→Spinel. For the first time, it is found that the surface facet terminated with pure cation is more stable than that with a mixture of cation and anion. These findings firmly established how the elemental species in the lattice of LMR cathode transfer from the bulk lattice to surface layer and further into the electrolyte, clarifying the long standing confusion and debate on the structure and chemistry of the surface layer and their correlation with the voltage fading and capacity decaying of LMR cathode. Therefore, this work provides critical insights for designing of cathode materials with both high capacity and voltage stability during cycling.

  4. Laser-based structural sensing and surface damage detection

    Science.gov (United States)

    Guldur, Burcu

    Damage due to age or accumulated damage from hazards on existing structures poses a worldwide problem. In order to evaluate the current status of aging, deteriorating and damaged structures, it is vital to accurately assess the present conditions. It is possible to capture the in situ condition of structures by using laser scanners that create dense three-dimensional point clouds. This research investigates the use of high resolution three-dimensional terrestrial laser scanners with image capturing abilities as tools to capture geometric range data of complex scenes for structural engineering applications. Laser scanning technology is continuously improving, with commonly available scanners now capturing over 1,000,000 texture-mapped points per second with an accuracy of ~2 mm. However, automatically extracting meaningful information from point clouds remains a challenge, and the current state-of-the-art requires significant user interaction. The first objective of this research is to use widely accepted point cloud processing steps such as registration, feature extraction, segmentation, surface fitting and object detection to divide laser scanner data into meaningful object clusters and then apply several damage detection methods to these clusters. This required establishing a process for extracting important information from raw laser-scanned data sets such as the location, orientation and size of objects in a scanned region, and location of damaged regions on a structure. For this purpose, first a methodology for processing range data to identify objects in a scene is presented and then, once the objects from model library are correctly detected and fitted into the captured point cloud, these fitted objects are compared with the as-is point cloud of the investigated object to locate defects on the structure. The algorithms are demonstrated on synthetic scenes and validated on range data collected from test specimens and test-bed bridges. The second objective of

  5. Advances in single-molecule magnet surface patterning through microcontact printing.

    Science.gov (United States)

    Mannini, Matteo; Bonacchi, Daniele; Zobbi, Laura; Piras, Federica M; Speets, Emiel A; Caneschi, Andrea; Cornia, Andrea; Magnani, Agnese; Ravoo, Bart Jan; Reinhoudt, David N; Sessoli, Roberta; Gatteschi, Dante

    2005-07-01

    We present an implementation of strategies to deposit single-molecule magnets (SMMs) using microcontact printing microCP). We describe different approaches of microCP to print stripes of a sulfur-functionalized dodecamanganese (III, IV) cluster on gold surfaces. Comparison by atomic force microscopy profile analysis of the patterned structures confirms the formation of a chemically stable single layer of SMMs. Images based on chemical contrast, obtained by time-of-flight secondary ion mass spectrometry, confirm the patterned structure.

  6. Nature and structure of aluminum surface sites grafted on silica from a combination of high-field aluminum-27 solid-state NMR spectroscopy and first-principles calculations

    KAUST Repository

    Kerber, Rachel Nathaniel; Kermagoret, Anthony; Callens, Emmanuel; Florian, Pierre A.; Massiot, Dominique; Lesage, Anne; Copé ret, Christophe; Delbecq, Franç oise; Rozanska, Xavier; Sautet, Philippe

    2012-01-01

    The determination of the nature and structure of surface sites after chemical modification of large surface area oxides such as silica is a key point for many applications and challenging from a spectroscopic point of view. This has been, for instance, a long-standing problem for silica reacted with alkylaluminum compounds, a system typically studied as a model for a supported methylaluminoxane and aluminum cocatalyst. While 27Al solid-state NMR spectroscopy would be a method of choice, it has been difficult to apply this technique because of large quadrupolar broadenings. Here, from a combined use of the highest stable field NMR instruments (17.6, 20.0, and 23.5 T) and ultrafast magic angle spinning (>60 kHz), high-quality spectra were obtained, allowing isotropic chemical shifts, quadrupolar couplings, and asymmetric parameters to be extracted. Combined with first-principles calculations, these NMR signatures were then assigned to actual structures of surface aluminum sites. For silica (here SBA-15) reacted with triethylaluminum, the surface sites are in fact mainly dinuclear Al species, grafted on the silica surface via either two terminal or two bridging siloxy ligands. Tetrahedral sites, resulting from the incorporation of Al inside the silica matrix, are also seen as minor species. No evidence for putative tri-coordinated Al atoms has been found. © 2012 American Chemical Society.

  7. Nature and structure of aluminum surface sites grafted on silica from a combination of high-field aluminum-27 solid-state NMR spectroscopy and first-principles calculations

    KAUST Repository

    Kerber, Rachel Nathaniel

    2012-04-18

    The determination of the nature and structure of surface sites after chemical modification of large surface area oxides such as silica is a key point for many applications and challenging from a spectroscopic point of view. This has been, for instance, a long-standing problem for silica reacted with alkylaluminum compounds, a system typically studied as a model for a supported methylaluminoxane and aluminum cocatalyst. While 27Al solid-state NMR spectroscopy would be a method of choice, it has been difficult to apply this technique because of large quadrupolar broadenings. Here, from a combined use of the highest stable field NMR instruments (17.6, 20.0, and 23.5 T) and ultrafast magic angle spinning (>60 kHz), high-quality spectra were obtained, allowing isotropic chemical shifts, quadrupolar couplings, and asymmetric parameters to be extracted. Combined with first-principles calculations, these NMR signatures were then assigned to actual structures of surface aluminum sites. For silica (here SBA-15) reacted with triethylaluminum, the surface sites are in fact mainly dinuclear Al species, grafted on the silica surface via either two terminal or two bridging siloxy ligands. Tetrahedral sites, resulting from the incorporation of Al inside the silica matrix, are also seen as minor species. No evidence for putative tri-coordinated Al atoms has been found. © 2012 American Chemical Society.

  8. Deposition of radionuclides and stable elements in Tokai-mura

    Energy Technology Data Exchange (ETDEWEB)

    Ueno, Takashi; Amano, Hikaru [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2003-03-01

    This report presents the data of deposition of radionuclides (Sep. 1993-March 2001) and stable elements (Sep. 1993-Oct. 1995) in Tokai-mura. To evaluate the migration of radionuclides and stable elements from the atmosphere to the ground surface, atmospheric deposition samples were collected from Sep. 1993 to March 2001 with three basins (distance to grand surface were 1.5 m, 4 m, 10 m) set up in the enclosure of JAERI in Tokai-mura, Ibaraki-ken, Japan. Monthly samples were evaporated to dryness to obtain residual samples and measured with a well type Ge detector for {sup 7}Be, {sup 40}K, {sup 137}Cs and {sup 210}Pb. According to the analysis of radioactivity, clear seasonal variations with spring peaks of deposition weight (dry) and deposition amounts of all objective radionuclides were found. Correlation analysis of deposition data also showed that these radionuclides can be divided into two groups. A part of dried sample was irradiated to reactor neutrons at JRR-4 for determination of stable element's deposition. (author)

  9. Flow Structure and Surface Topology on a UCAV Planform

    Science.gov (United States)

    Elkhoury, Michel; Yavuz, Metin; Rockwell, Donald

    2003-11-01

    Flow past a X-45 UCAV planform involves the complex generation and interaction of vortices, their breakdown and occurrence of surface separation and stall. A cinema technique of high-image-density particle image velocimetry, in conjunction with dye visualization, allows characterization of the time-averaged and instantaneous states of the flow, in terms of critical points of the near-surface streamlines. These features are related to patterns of surface normal vorticity and velocity fluctuation. Spectral analysis of the naturally occurring unsteadiness of the flow allows definition of the most effective frequencies for small-amplitude perturbation of the wing, which leads to substantial alterations of the aforementioned patterns of flow structure and topology adjacent to the surface.

  10. Synchronous scattering and diffraction from gold nanotextured surfaces with structure factors

    Science.gov (United States)

    Gu, Min-Jhong; Lee, Ming-Tsang; Huang, Chien-Hsun; Wu, Chi-Chun; Chen, Yu-Bin

    2018-05-01

    Synchronous scattering and diffraction were demonstrated using reflectance from gold nanotextured surfaces at oblique (θi = 15° and 60°) incidence of wavelength λ = 405 nm. Two samples of unique auto-correlation functions were cost-effectively fabricated. Multiple structure factors of their profiles were confirmed with Fourier expansions. Bi-directional reflectance function (BRDF) from these samples provided experimental proofs. On the other hand, standard deviation of height and unique auto-correlation function of each sample were used to generate surfaces numerically. Comparing their BRDF with those of totally random rough surfaces further suggested that structure factors in profile could reduce specular reflection more than totally random roughness.

  11. Homogenization models for thin rigid structured surfaces and films.

    Science.gov (United States)

    Marigo, Jean-Jacques; Maurel, Agnès

    2016-07-01

    A homogenization method for thin microstructured surfaces and films is presented. In both cases, sound hard materials are considered, associated with Neumann boundary conditions and the wave equation in the time domain is examined. For a structured surface, a boundary condition is obtained on an equivalent flat wall, which links the acoustic velocity to its normal and tangential derivatives (of the Myers type). For a structured film, jump conditions are obtained for the acoustic pressure and the normal velocity across an equivalent interface (of the Ventcels type). This interface homogenization is based on a matched asymptotic expansion technique, and differs slightly from the classical homogenization, which is known to fail for small structuration thicknesses. In order to get insight into what causes this failure, a two-step homogenization is proposed, mixing classical homogenization and matched asymptotic expansion. Results of the two homogenizations are analyzed in light of the associated elementary problems, which correspond to problems of fluid mechanics, namely, potential flows around rigid obstacles.

  12. A Surface Modeling Paradigm for Electromagnetic Applications in Aerospace Structures

    OpenAIRE

    Jha, RM; Bokhari, SA; Sudhakar, V; Mahapatra, PR

    1989-01-01

    A systematic approach has been developed to model the surfaces encountered in aerospace engineering for EM applications. The basis of this modeling is the quadric canonical shapes which are the coordinate surfaces of the Eisenhart Coordinate systems. The building blocks are visualized as sections of quadric cylinders and surfaces of revolution. These truncated quadrics can successfully model realistic aerospace structures which are termed a s hybrid quadrics, of which the satellite launch veh...

  13. SurfCut: Surfaces of Minimal Paths From Topological Structures

    KAUST Repository

    Algarni, Marei Saeed Mohammed

    2018-03-05

    We present SurfCut, an algorithm for extracting a smooth, simple surface with an unknown 3D curve boundary from a noisy image and a seed point. Our method is built on the novel observation that certain ridge curves of a function defined on a front propagated using the Fast Marching algorithm lie on the surface. Our method extracts and cuts these ridges to form the surface boundary. Our surface extraction algorithm is built on the novel observation that the surface lies in a valley of the distance from Fast Marching. We show that the resulting surface is a collection of minimal paths. Using the framework of cubical complexes and Morse theory, we design algorithms to extract these critical structures robustly. Experiments on three 3D datasets show the robustness of our method, and that it achieves higher accuracy with lower computational cost than state-of-the-art.

  14. SurfCut: Surfaces of Minimal Paths From Topological Structures

    KAUST Repository

    Algarni, Marei Saeed Mohammed

    2017-04-30

    We present SurfCut, an algorithm for extracting a smooth, simple surface with an unknown 3D curve boundary from a noisy 3D image and a seed point. Our method is built on the novel observation that certain ridge curves of a function defined on a front propagated using the Fast Marching algorithm lie on the surface. Our method extracts and cuts these ridges to form the surface boundary. Our surface extraction algorithm is built on the novel observation that the surface lies in a valley of the distance from Fast Marching. We show that the resulting surface is a collection of minimal paths. Using the framework of cubical complexes and Morse theory, we design algorithms to extract these critical structures robustly. Experiments on three 3D datasets show the robustness of our method, and that it achieves higher accuracy with lower computational cost than state-of-the-art.

  15. SurfCut: Surfaces of Minimal Paths From Topological Structures

    KAUST Repository

    Algarni, Marei Saeed Mohammed; Sundaramoorthi, Ganesh

    2018-01-01

    We present SurfCut, an algorithm for extracting a smooth, simple surface with an unknown 3D curve boundary from a noisy image and a seed point. Our method is built on the novel observation that certain ridge curves of a function defined on a front propagated using the Fast Marching algorithm lie on the surface. Our method extracts and cuts these ridges to form the surface boundary. Our surface extraction algorithm is built on the novel observation that the surface lies in a valley of the distance from Fast Marching. We show that the resulting surface is a collection of minimal paths. Using the framework of cubical complexes and Morse theory, we design algorithms to extract these critical structures robustly. Experiments on three 3D datasets show the robustness of our method, and that it achieves higher accuracy with lower computational cost than state-of-the-art.

  16. Micro- and nano-surface structures based on vapor-deposited polymers

    Directory of Open Access Journals (Sweden)

    Hsien-Yeh Chen

    2017-07-01

    Full Text Available Vapor-deposition processes and the resulting thin polymer films provide consistent coatings that decouple the underlying substrate surface properties and can be applied for surface modification regardless of the substrate material and geometry. Here, various ways to structure these vapor-deposited polymer thin films are described. Well-established and available photolithography and soft lithography techniques are widely performed for the creation of surface patterns and microstructures on coated substrates. However, because of the requirements for applying a photomask or an elastomeric stamp, these techniques are mostly limited to flat substrates. Attempts are also conducted to produce patterned structures on non-flat surfaces with various maskless methods such as light-directed patterning and direct-writing approaches. The limitations for patterning on non-flat surfaces are resolution and cost. With the requirement of chemical control and/or precise accessibility to the linkage with functional molecules, chemically and topographically defined interfaces have recently attracted considerable attention. The multifunctional, gradient, and/or synergistic activities of using such interfaces are also discussed. Finally, an emerging discovery of selective deposition of polymer coatings and the bottom-up patterning approach by using the selective deposition technology is demonstrated.

  17. Frequency Selective Surface for Structural Health Monitoring

    Science.gov (United States)

    Norlyana Azemi, Saidatul; Mustaffa, Farzana Hazira Wan; Faizal Jamlos, Mohd; Abdullah Al-Hadi, Azremi; Soh, Ping Jack

    2018-03-01

    Structural health monitoring (SHM) technologies have attained attention to monitor civil structures. SHM sensor systems have been used in various civil structures such as bridges, buildings, tunnels and so on. However the previous sensor for SHM is wired and encounter with problem to cover large areas. Therefore, wireless sensor was introduced for SHM to reduce network connecting problem. Wireless sensors for Structural Health monitoring are new technology and have many advantages to overcome the drawback of conventional and wired sensor. This project proposed passive wireless SHM sensor using frequency selective surface (FSS) as an alternative to conventional sensors. The electromagnetic wave characteristic of FSS will change by geometrical changes of FSS due to mechanical strain or structural failure. The changes feature is used as a sensing function without any connecting wires. Two type of design which are circular ring and square loop along with the transmission and reflection characteristics of SHM using FSS were discussed in this project. A simulation process has shown that incident angle characteristics can be use as a data for SHM application.

  18. Adsorption of small palladium clusters on the relaxed α-Al2O3(0001) surface

    DEFF Research Database (Denmark)

    Gomes, J.R.B.; Lodziana, Zbiegniew; Illas, F.

    2003-01-01

    of supported Pd-3 is largely distorted from the gas-phase equilibrium geometry whereas the structure of supported Pd-4 is less distorted and reminiscent of the most stable gas-phase isomer. Consequently, the adhesion energy of Pd-3 on the relaxed alpha-Al2O3(0001) surface is smaller than that of Pd-4...... adsorption on other oxide surfaces, there are no preferred adsorption sites for Pd deposited on the corundum surface....

  19. Study of Cs adsorption on (100) surface of [001]-oriented GaN nanowires: A first principle research

    Energy Technology Data Exchange (ETDEWEB)

    Xia, Sihao [Department of Optoelectronic Technology, School of Electronic and Optical Engineering, Nanjing University of Science and Technology Nanjing, 210094 (China); Liu, Lei, E-mail: liu1133_cn@sina.com.cn [Department of Optoelectronic Technology, School of Electronic and Optical Engineering, Nanjing University of Science and Technology Nanjing, 210094 (China); Kong, Yike [Department of Optoelectronic Technology, School of Electronic and Optical Engineering, Nanjing University of Science and Technology Nanjing, 210094 (China); Wang, Honggang; Wang, Meishan [School of Information and Electrical Engineering, Ludong University, Yantai 264025 (China)

    2016-11-30

    Highlights: • B{sub N} is the most stable adsorption site. • Work function is reduced after Cs adsorption. • Surface atomic structures are reconstructed. • Surface states near fermi level is contributed to the hybridization of Cs 5s state with Ga 4p and N 2p state. • NEA surface is demonstrated after Cs adsorption on GaN nanowire surface. - Abstract: Based on first-principle study, the adsorption mechanism of Cs on (100) crystal plane of GaN nanowire surface with coverage of 1/12 monolayer is explored. It is discovered that the most stable adsorption site is B{sub N} because of its lowest adsorption energy. The work function of GaN nanowire surface is reduced by 1.69 eV and will be further reduced with increasing Cs adsorption, which promotes the development of negative electron affinity (NEA) state of the materials. Furthermore, Cs adatom will make a great influence on the surface atomic structure, oppositely, little influence on the center atomic structure. There appears a dipole moment valued −6.93 Debye on the nanowire surface contributed to the formation the heterojunction on the surface, which is beneficial to the photoelectrons liberation. After Cs adsorption, the valence band and conduction band both move to lower energy side. The surface states mainly result from the hybridization of Cs 5s state with Ga 4p state and N 2p state. This study can help us to further experiment on the Cs adsorption processing on GaN nanowire and improve the photoemission performance of GaN nanowire devices.

  20. Study of Cs adsorption on (100) surface of [001]-oriented GaN nanowires: A first principle research

    International Nuclear Information System (INIS)

    Xia, Sihao; Liu, Lei; Kong, Yike; Wang, Honggang; Wang, Meishan

    2016-01-01

    Highlights: • B N is the most stable adsorption site. • Work function is reduced after Cs adsorption. • Surface atomic structures are reconstructed. • Surface states near fermi level is contributed to the hybridization of Cs 5s state with Ga 4p and N 2p state. • NEA surface is demonstrated after Cs adsorption on GaN nanowire surface. - Abstract: Based on first-principle study, the adsorption mechanism of Cs on (100) crystal plane of GaN nanowire surface with coverage of 1/12 monolayer is explored. It is discovered that the most stable adsorption site is B N because of its lowest adsorption energy. The work function of GaN nanowire surface is reduced by 1.69 eV and will be further reduced with increasing Cs adsorption, which promotes the development of negative electron affinity (NEA) state of the materials. Furthermore, Cs adatom will make a great influence on the surface atomic structure, oppositely, little influence on the center atomic structure. There appears a dipole moment valued −6.93 Debye on the nanowire surface contributed to the formation the heterojunction on the surface, which is beneficial to the photoelectrons liberation. After Cs adsorption, the valence band and conduction band both move to lower energy side. The surface states mainly result from the hybridization of Cs 5s state with Ga 4p state and N 2p state. This study can help us to further experiment on the Cs adsorption processing on GaN nanowire and improve the photoemission performance of GaN nanowire devices.

  1. Atomic and electronic structure of surfaces theoretical foundations

    CERN Document Server

    Lannoo, Michel

    1991-01-01

    Surfaces and interfaces play an increasingly important role in today's solid state devices. In this book the reader is introduced, in a didactic manner, to the essential theoretical aspects of the atomic and electronic structure of surfaces and interfaces. The book does not pretend to give a complete overview of contemporary problems and methods. Instead, the authors strive to provide simple but qualitatively useful arguments that apply to a wide variety of cases. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations. The exercises accompanying every chapter will be of great benefit to the student.

  2. Biomimetic superhydrophobic surface of high adhesion fabricated with micronano binary structure on aluminum alloy.

    Science.gov (United States)

    Liu, Yan; Liu, Jindan; Li, Shuyi; Liu, Jiaan; Han, Zhiwu; Ren, Luquan

    2013-09-25

    Triggered by the microstructure characteristics of the surfaces of typical plant leaves such as the petals of red roses, a biomimetic superhydrophobic surface with high adhesion is successfully fabricated on aluminum alloy. The essential procedure is that samples were processed by a laser, then immersed and etched in nitric acid and copper nitrate, and finally modified by DTS (CH3(CH2)11Si(OCH3)3). The obtained surfaces exhibit a binary structure consisting of microscale crater-like pits and nanoscale reticula. The superhydrophobicity can be simultaneously affected by the micronano binary structure and chemical composition of the surface. The contact angle of the superhydrophobic surface reaches up to 158.8 ± 2°. Especially, the surface with micronano binary structure is revealed to be an excellent adhesive property with petal-effect. Moreover, the superhydrophobic surfaces show excellent stability in aqueous solution with a large pH range and after being exposed long-term in air. In this way, the multifunctional biomimetic structural surface of the aluminum alloy is fabricated. Furthermore, the preparation technology in this article provides a new route for other metal materials.

  3. Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals

    KAUST Repository

    Komesu, Takashi

    2016-08-24

    The electronic structure and band dispersion of methylammonium lead bromide, CH3NH3PbBr3, has been investigated through a combination of angle-resolved photoemission spectroscopy (ARPES) and inverse photoemission spectroscopy (IPES), as well as theoretical modeling based on density functional theory. The experimental band structures are consistent with the density functional calculations. The results demonstrate the presence of a dispersive valence band in MAPbBr3 that peaks at the M point of the surface Brillouin zone. The results also indicate that the surface termination of the CH3NH3PbBr3 is the methylammonium bromide (CH3NH3Br) layer. We find our results support models that predict a heavier hole effective mass in the region of -0.23 to -0.26 me, along the Γ (surface Brillouin center) to M point of the surface Brillouin zone. The surface appears to be n-type as a result of an excess of lead in the surface region. © 2016 American Chemical Society.

  4. Mobile Interfaces: Liquids as a Perfect Structural Material for Multifunctional, Antifouling Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Grinthal, A; Aizenberg, J

    2014-01-14

    Life creates some of its most robust, extreme surface materials not from solids but from liquids: a purely liquid interface, stabilized by underlying nanotexture, makes carnivorous plant leaves ultraslippery, the eye optically perfect and dirt-resistant, our knees lubricated and pressure-tolerant, and insect feet reversibly adhesive and shape-adaptive. Novel liquid surfaces based on this idea have recently been shown to display unprecedented omniphobic, self-healing, anti-ice, antifouling, optical, and adaptive properties. In this Perspective, we present a framework and a path forward for developing and designing such liquid surfaces into sophisticated, versatile multifunctional materials. Drawing on concepts from solid materials design and fluid dynamics, we outline how the continuous dynamics, responsiveness, and multiscale patternability of a liquid surface layer can be harnessed to create a wide range of unique, active interfacial functions able to operate in harsh, changing environments not achievable with static solids. We discuss how, in partnership with the underlying substrate, the liquid surface can be programmed to adaptively and reversibly reconfigure from a defect-free, molecularly smooth, transparent interface through a range of finely tuned liquid topographies in response to environmental stimuli. With nearly unlimited design possibilities and unmatched interfacial properties, liquid materials as long-term stable interfaces yet in their fully liquid state may potentially transform surface design everywhere from medicine to architecture to energy infrastructure.

  5. Structures of adsorbed CO on atomically smooth and on stepped sngle crystal surfaces

    International Nuclear Information System (INIS)

    Madey, T.E.; Houston, J.E.

    1980-01-01

    The structures of molecular CO adsorbed on atomically smooth surfaces and on surfaces containing monatomic steps have been studied using the electron stimulated desorption ion angular distribution (ESDIAD) method. For CO adsorbed on the close packed Ru(001) and W(110) surfaces, the dominant bonding mode is via the carbon atom, with the CO molecular axis perpendicular to the plane of the surface. For CO on atomicaly rough Pd(210), and for CO adsorbed at step sites on four different surfaces vicinal to W(110), the axis of the molecule is tilted or inclined away from the normal to the surface. The ESDIAD method, in which ion desorption angles are related to surface bond angles, provides a direct determination of the structures of adsorbed molecules and molecular complexes on surfaces

  6. A Comparative Study of Molecular Structure, pKa, Lipophilicity, Solubility, Absorption and Polar Surface Area of Some Antiplatelet Drugs

    Directory of Open Access Journals (Sweden)

    Milan Remko

    2016-03-01

    Full Text Available Theoretical chemistry methods have been used to study the molecular properties of antiplatelet agents (ticlopidine, clopidogrel, prasugrel, elinogrel, ticagrelor and cangrelor and several thiol-containing active metabolites. The geometries and energies of most stable conformers of these drugs have been computed at the Becke3LYP/6-311++G(d,p level of density functional theory. Computed dissociation constants show that the active metabolites of prodrugs (ticlopidine, clopidogrel and prasugrel and drugs elinogrel and cangrelor are completely ionized at pH 7.4. Both ticagrelor and its active metabolite are present at pH = 7.4 in neutral undissociated form. The thienopyridine prodrugs ticlopidine, clopidogrel and prasugrel are lipophilic and insoluble in water. Their lipophilicity is very high (about 2.5–3.5 logP values. The polar surface area, with regard to the structurally-heterogeneous character of these antiplatelet drugs, is from very large interval of values of 3–255 Å2. Thienopyridine prodrugs, like ticlopidine, clopidogrel and prasugrel, with the lowest polar surface area (PSA values, exhibit the largest absorption. A high value of polar surface area (PSA of cangrelor (255 Å2 results in substantial worsening of the absorption in comparison with thienopyridine drugs.

  7. Neisserial surface lipoproteins: structure, function and biogenesis.

    Science.gov (United States)

    Hooda, Yogesh; Shin, Hyejin E; Bateman, Thomas J; Moraes, Trevor F

    2017-03-01

    The surface of many Gram-negative bacteria contains lipidated protein molecules referred to as surface lipoproteins or SLPs. SLPs play critical roles in host immune evasion, nutrient acquisition and regulation of the bacterial stress response. The focus of this review is on the SLPs present in Neisseria, a genus of bacteria that colonise the mucosal surfaces of animals. Neisseria contains two pathogens of medical interest, namely Neisseria meningitidis and N. gonorrhoeae. Several SLPs have been identified in Neisseria and their study has elucidated key strategies used by these pathogens to survive inside the human body. Herein, we focus on the identification, structure and function of SLPs that have been identified in Neisseria. We also survey the translocation pathways used by these SLPs to reach the cell surface. Specifically, we elaborate on the strategies used by neisserial SLPs to translocate across the outer membrane with an emphasis on Slam, a novel outer membrane protein that has been implicated in SLP biogenesis. Taken together, the study of SLPs in Neisseria illustrates the widespread roles played by this family of proteins in Gram-negative bacteria. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  8. Visualization of brain surface structures by weighted summation technique using multislice MR images

    International Nuclear Information System (INIS)

    Machida, Yoshio; Hatanaka, Masahiko; Hagiwara, Masayuki; Sugimoto, Hiroshi; Yoshida, Tadatoki; Katada, Kazuhiro.

    1991-01-01

    Surface anatomy scanning (SAS) technique which visualizes brain surface structures has been developed since 1987. In this paper, we propose a modified method called 'multislice SAS', which also generates such surface structure images, and has several advantages compared with conventional SAS technique. The conventional SAS technique uses a very long echo time sequence (e.g. SE(3000, 250)) with a thick slice and a surface coil to enhance CSF on the brain surface. Our modified technique also uses a long echo time sequence. But, added multislice images, each appropriately weighted, are used in stead of a thick slice and a surface coil. Our basic studies have shown that this modified method has the following advantage: Several surface images with slightly different summation directions are obtained, and they are used for stereographic display and cine display. This is very useful for visualizing the spatial relationship of brain surface structures. By choosing appropriate weighting, we can obtain clinically legible surface images. This technique dose not require a surface coil. It means that flexibility of selecting imaging direction is high. We can make a lot of modifications, because the original multislice images of weighted summation are arbitrary. And we also clarify some limitation or disadvantage of this modified method. In conclusion, we think that this technique is one of the practical approaches for surface anatomy imaging. (author)

  9. CO oxidation on PdO surfaces

    DEFF Research Database (Denmark)

    Hirvi, Janne T.; Kinnunen, Toni-Jani J.; Suvanto, Mika

    2010-01-01

    Density functional calculations were performed in order to investigate CO oxidation on two of the most stable bulk PdO surfaces. The most stable PdO(100) surface, with oxygen excess, is inert against CO adsorption, whereas strong adsorption on the stoichiometric PdO(101) surface leads to favorable...... oxidation via the Langmuir–Hinshelwood mechanism. The reaction with a surface oxygen atom has an activation energy of 0.66 eV, which is comparable to the lowest activation energies observed on metallic surfaces. However, the reaction rate may be limited by the coverage of molecular oxygen. Actually...... adsorption, following the Eley–Rideal mechanism and taking advantage of the reaction tunnel provided by the adjacent palladium atom, has an activation energy of only 0.24 eV. The reaction mechanism and activation energy for the palladium activated CO oxidation on the most stable PdO(100)–O surface...

  10. Process comparison for fracture-induced formation of surface structures on polymer films

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yueh-Ying [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Yang, Fuqian [Department of Chemical and Materials Engineering, University of Kentucky, Lexington, KY 40506 (United States); Chen, Chia-Chieh [Institute of Nuclear Energy Research, Longtan, Taoyuan 32546, Taiwan (China); Lee, Sanboh, E-mail: sblee@mx.nthu.edu.tw [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China)

    2014-01-01

    Using three different splitting approaches such as point-load splitting, tension-splitting and peeling–splitting, different surface ripples were produced on poly(methyl methacrylate) (PMMA)-based polymer films. Independent of the splitting approaches, the spatial wavelength of the surface structures is a linear function of the film thickness with the approximately same differential ratio of the spatial wavelength to the film thickness. The apparent surface residual stress was calculated from the thickness dependence of the spatial frequency, and the magnitude of the apparent surface stress increased with the increase of the film thickness. After exposing the aged PMMA-based photoresist at liquid state to gamma-irradiation, the effects of aging and the gamma-irradiation were investigated on the splitting-induced formation of surface structures. For the peeling–splitting process, the differential ratio of the spatial wavelength to the film thickness for the aged samples is larger than that for non-aged samples. The point-load splitting could not produce any surface pattern on the gamma-irradiated films. None of the splitting approaches could form surface structures for polymer films exposed to irradiation of high dose. Both the spatial wavelength and the apparent surface stress increased with the film thickness for the irradiated polymer films. - Highlights: • Using splitting processes, surface ripples were formed on polymer films. • The surface ripples were induced by compressively apparent surface stress. • The spatial wavelength of the ripples is a linear function of the film thickness. • The spatial wavelength of the ripples is affected by gamma-ray irradiation. • The spatial wavelength of the ripples is affected by aging.

  11. Structural determinants for protein adsorption/non-adsorption to silica surface

    International Nuclear Information System (INIS)

    Mathe, Christelle; Devineau, Stephanie; Aude, Jean-Christophe; Lagniel, Gilles; Chedin, Stephane; Legros, Veronique; Mathon, Marie-Helene; Renault, Jean-Philippe; Pin, Serge; Boulard, Yves; Labarre, Jean

    2013-01-01

    The understanding of the mechanisms involved in the interaction of proteins with inorganic surfaces is of major interest in both fundamental research and applications such as nano-technology. However, despite intense research, the mechanisms and the structural determinants of protein/surface interactions are still unclear. We developed a strategy consisting in identifying, in a mixture of hundreds of soluble proteins, those proteins that are adsorbed on the surface and those that are not. If the two protein subsets are large enough, their statistical comparative analysis must reveal the physicochemical determinants relevant for adsorption versus non-adsorption. This methodology was tested with silica nanoparticles. We found that the adsorbed proteins contain a higher number of charged amino acids, particularly arginine, which is consistent with involvement of this basic amino acid in electrostatic interactions with silica. The analysis also identified a marked bias toward low aromatic amino acid content (phenylalanine, tryptophan, tyrosine and histidine) in adsorbed proteins. Structural analyses and molecular dynamics simulations of proteins from the two groups indicate that non-adsorbed proteins have twice as many p-p interactions and higher structural rigidity. The data are consistent with the notion that adsorption is correlated with the flexibility of the protein and with its ability to spread on the surface. Our findings led us to propose a refined model of protein adsorption. (authors)

  12. Structural determinants for protein adsorption/non-adsorption to silica surface.

    Directory of Open Access Journals (Sweden)

    Christelle Mathé

    Full Text Available The understanding of the mechanisms involved in the interaction of proteins with inorganic surfaces is of major interest in both fundamental research and applications such as nanotechnology. However, despite intense research, the mechanisms and the structural determinants of protein/surface interactions are still unclear. We developed a strategy consisting in identifying, in a mixture of hundreds of soluble proteins, those proteins that are adsorbed on the surface and those that are not. If the two protein subsets are large enough, their statistical comparative analysis must reveal the physicochemical determinants relevant for adsorption versus non-adsorption. This methodology was tested with silica nanoparticles. We found that the adsorbed proteins contain a higher number of charged amino acids, particularly arginine, which is consistent with involvement of this basic amino acid in electrostatic interactions with silica. The analysis also identified a marked bias toward low aromatic amino acid content (phenylalanine, tryptophan, tyrosine and histidine in adsorbed proteins. Structural analyses and molecular dynamics simulations of proteins from the two groups indicate that non-adsorbed proteins have twice as many π-π interactions and higher structural rigidity. The data are consistent with the notion that adsorption is correlated with the flexibility of the protein and with its ability to spread on the surface. Our findings led us to propose a refined model of protein adsorption.

  13. Effects of self-assembled monolayer structural order, surface homogeneity and surface energy on pentacene morphology and thin film transistor device performance.

    Science.gov (United States)

    Hutchins, Daniel Orrin; Weidner, Tobias; Baio, Joe; Polishak, Brent; Acton, Orb; Cernetic, Nathan; Ma, Hong; Jen, Alex K-Y

    2013-01-04

    A systematic study of six phosphonic acid (PA) self-assembled monolayers (SAMs) with tailored molecular structures is performed to evaluate their effectiveness as dielectric modifying layers in organic field-effect transistors (OFETs) and determine the relationship between SAM structural order, surface homogeneity, and surface energy in dictating device performance. SAM structures and surface properties are examined by near edge X-ray absorption fine structure (NEXAFS) spectroscopy, contact angle goniometry, and atomic force microscopy (AFM). Top-contact pentacene OFET devices are fabricated on SAM modified Si with a thermally grown oxide layer as a dielectric. For less ordered methyl- and phenyl-terminated alkyl ~(CH 2 ) 12 PA SAMs of varying surface energies, pentacene OFETs show high charge carrier mobilities up to 4.1 cm 2 V -1 s -1 . It is hypothesized that for these SAMs, mitigation of molecular scale roughness and subsequent control of surface homogeneity allow for large pentacene grain growth leading to high performance pentacene OFET devices. PA SAMs that contain bulky terminal groups or are highly crystalline in nature do not allow for a homogenous surface at a molecular level and result in charge carrier mobilities of 1.3 cm 2 V -1 s -1 or less. For all molecules used in this study, no causal relationship between SAM surface energy and charge carrier mobility in pentacene FET devices is observed.

  14. Fabrication of semi-transparent super-hydrophobic surface based on silica hierarchical structures

    KAUST Repository

    Chen, Ping-Hei

    2011-01-01

    This study successfully develops a versatile method of producing superhydrophobic surfaces with micro/nano-silica hierarchical structures on glass surfaces. Optically transparent super hydrophobic silica thin films were prepared by spin-coating silica particles suspended in a precursor solution of silane, ethanol, and H2O with molar ratio of 1:4:4. The resulting super hydrophobic films were characterized by scanning electron microscopy (SEM), optical transmission, and contact angle measurements. The glass substrates in this study were modified with different particles: micro-silica particles, nano-silica particles, and hierarchical structures. This study includes SEM micrographs of the modified glass surfaces with hierarchical structures at different magnifications. © 2011 The Korean Society of Mechanical Engineers and Springer-Verlag Berlin Heidelberg.

  15. A crawling robot driven by multi-stable origami

    Science.gov (United States)

    Pagano, Alexander; Yan, Tongxi; Chien, Brian; Wissa, A.; Tawfick, S.

    2017-09-01

    Using origami folding to construct and actuate mechanisms and machines offers attractive opportunities from small, scalable, and cheap robots to deployable adaptive structures. This paper presents the design of a bio-inspired origami crawling robot constructed by folding sheets of paper. The origami building block structure is based on the Kresling crease pattern (CP), a chiral tower with a polygonal base, which expands and contracts through coupled longitudinal and rotational motion similar to a screw. We design the origami to have multi-stable structural equilibria which can be tuned by changing the folding CP. Kinematic analysis of these structures based on rigid-plates and hinges at fold lines precludes the shape transformation associated with the bistability of the physical models. To capture the kinematics of the bi-stable origami, the panels’ deformation behavior is modeled utilizing principles of virtual folds. Virtual folds approximate material bending by hinged, rigid panels, which facilitates the development of a kinematic solution via rigid-plate rotation analysis. As such, the kinetics and stability of folded structures are investigated by assigning suitable torsional spring constants to the fold lines. The results presented demonstrate the effect of fold-pattern geometries on the snapping behavior of the bi-stable origami structure based on the Kresling pattern. The crawling robot is presented as a case study for the use of this origami structure to mimic crawling locomotion. The robot is comprised of two origami towers nested inside a paper bellow, and connected by 3D printed end plates. DC motors are used to actuate the expansion and contraction of the internal origami structures to achieve forward locomotion and steering. Beyond locomotion, this simple design can find applications in manipulators, booms, and active structures.

  16. Surface structures and dielectric response of ultrafine BaTiO3 particles

    International Nuclear Information System (INIS)

    Jiang, B.; Peng, J.L.; Bursill, L.A.

    1998-01-01

    Characteristic differences are observed for the dielectric response and microstructures of BaTiO 3 nanoscale fine powders prepared using sol gel (SG) and steric acid gel (SAG) methods. The former exhibit a critical size below which there is no paraelectric/ferroelectric phase transition whereas BaTiO 3 prepared via the SAG route remained cubic for all conditions. Atomic resolution images of both varieties showed a high density of interesting surface steps and facets. Computer simulated images of surface structure models showed that the outer (100) surface was typically a BaO layer and that at corners and ledges the steps are typically finished with Ba+2 ions; i.e. the surfaces and steps are Ba-rich. Otherwise the surfaces were typically clean and free of amorphous layers. The relationship between the observed surfaces structures and theoretical models for size effects on the dielectric properties is discussed. (authors)

  17. Structure of the Streptococcus pneumoniae Surface Protein and Adhesin PfbA

    OpenAIRE

    Suits, Michael D.; Boraston, Alisdair B.

    2013-01-01

    PfbA (plasmin- and fibronectin-binding protein A) is an extracellular Streptococcus pneumoniae cell-wall attached surface protein that binds to fibronectin, plasmin, and plasminogen. Here we present a structural analysis of the surface exposed domains of PfbA using a combined approach of X-ray crystallography and small-angle X-ray scattering (SAXS). The crystal structure of the PfbA core domain, here called PfbAβ, determined to 2.28 Å resolution revealed an elongated 12-stranded parallel β-he...

  18. Local structural ordering in surface-confined liquid crystals

    Science.gov (United States)

    Śliwa, I.; Jeżewski, W.; Zakharov, A. V.

    2017-06-01

    The effect of the interplay between attractive nonlocal surface interactions and attractive pair long-range intermolecular couplings on molecular structures of liquid crystals confined in thin cells with flat solid surfaces has been studied. Extending the McMillan mean field theory to include finite systems, it has been shown that confining surfaces can induce complex orientational and translational ordering of molecules. Typically, local smectic A, nematic, and isotropic phases have been shown to coexist in certain temperature ranges, provided that confining cells are sufficiently thick, albeit finite. Due to the nonlocality of surface interactions, the spatial arrangement of these local phases can display, in general, an unexpected complexity along the surface normal direction. In particular, molecules located in the vicinity of surfaces can still be organized in smectic layers, even though nematic and/or isotropic order can simultaneously appear in the interior of cells. The resulting surface freezing of smectic layers has been confirmed to occur even for rather weak surface interactions. The surface interactions cannot, however, prevent smectic layers from melting relatively close to system boundaries, even when molecules are still arranged in layers within the central region of the system. The internal interfaces, separating individual liquid-crystal phases, are demonstrated here to form fronts of local finite-size transitions that move across cells under temperature changes. Although the complex molecular ordering in surface confined liquid-crystal systems can essentially be controlled by temperature variations, specific thermal properties of these systems, especially the nature of the local transitions, are argued to be strongly conditioned to the degree of molecular packing.

  19. Surface structure of ultrathin metal films deposited on copper single crystals

    International Nuclear Information System (INIS)

    Butterfield, M.T.

    2000-04-01

    Ultrathin films of Cobalt, Iron and Manganese have been thermally evaporated onto an fcc Copper (111) single crystal substrate and investigated using a variety of surface structural techniques. The small lattice mismatch between these metals and the Cu (111) substrate make them an ideal candidate for the study of the phenomena of pseudomorphic film growth. This is important for the understanding of the close relationship between film structure and magnetic properties. Growing films with the structure of their substrate rather than their bulk phase may provide an opportunity to grow materials with novel physical and magnetic properties, and hence new technological applications. Both Cobalt and Iron have been found to initially maintain a registry with the fcc Cu (111) surface in a manner consistent with pseudomorphic growth. This growth is complicated by island rather than layer by layer growth in the initials stages of the film. In both cases a change in the structure of the film seems to occur at a point where the coalescence of islands in the film may be expected to occur. When the film does change structure they do not form a perfect overlayer with the structure of their bulk counterpart. The films do contain a number of features representative of the bulk phase but also contain considerable disorder and possibly remnants of fcc (111) structure. The order present in these films can be greatly improved by annealing. Manganese appears to grow with an fcc Mn (111) lattice spacing and there is no sign of a change in structure in films of up to 4.61 ML thick. The gradual deposition and annealing of a film to 300 deg. C, with a total deposition time the same as that for a 1 ML thick film, causes a surface reconstruction to occur that is apparent in a R30 deg. (√3 x √3) LEED pattern. This is attributed to the formation of a surface alloy, which is also supported by the local expansion of the Cu lattice in the (111) direction. (author)

  20. Adherence of human oral keratinocytes and gingival fibroblasts to nano-structured titanium surfaces.

    Science.gov (United States)

    Dorkhan, Marjan; Yücel-Lindberg, Tülay; Hall, Jan; Svensäter, Gunnel; Davies, Julia R

    2014-06-21

    A key element for long-term success of dental implants is integration of the implant surface with the surrounding host tissues. Modification of titanium implant surfaces can enhance osteoblast activity but their effects on soft-tissue cells are unclear. Adherence of human keratinocytes and gingival fibroblasts to control commercially pure titanium (CpTi) and two surfaces prepared by anodic oxidation was therefore investigated. Since implant abutments are exposed to a bacteria-rich environment in vivo, the effect of oral bacteria on keratinocyte adhesion was also evaluated. The surfaces were characterized using scanning electron microscopy (SEM). The number of adhered cells and binding strength, as well as vitality of fibroblasts and keratinocytes were evaluated using confocal scanning laser microscopy after staining with Live/Dead Baclight. To evaluate the effect of bacteria on adherence and vitality, keratinocytes were co-cultured with a four-species streptococcal consortium. SEM analysis showed the two anodically oxidized surfaces to be nano-structured with differing degrees of pore-density. Over 24 hours, both fibroblasts and keratinocytes adhered well to the nano-structured surfaces, although to a somewhat lesser degree than to CpTi (range 42-89% of the levels on CpTi). The strength of keratinocyte adhesion was greater than that of the fibroblasts but no differences in adhesion strength could be observed between the two nano-structured surfaces and the CpTi. The consortium of commensal streptococci markedly reduced keratinocyte adherence on all the surfaces as well as compromising membrane integrity of the adhered cells. Both the vitality and level of adherence of soft-tissue cells to the nano-structured surfaces was similar to that on CpTi. Co-culture with streptococci reduced the number of keratinocytes on all the surfaces to approximately the same level and caused cell damage, suggesting that commensal bacteria could affect adherence of soft-tissue cells to

  1. Current Challenges in Understanding and Forecasting Stable Boundary Layers over Land and Ice

    Directory of Open Access Journals (Sweden)

    Gert-Jan eSteeneveld

    2014-10-01

    Full Text Available Understanding and prediction of the stable atmospheric boundary layer is challenging. Many physical processes come into play in the stable boundary layer, i.e. turbulence, radiation, land surface coupling and heterogeneity, orographic turbulent and gravity wave drag. The development of robust stable boundary-layer parameterizations for weather and climate models is difficult because of the multiplicity of processes and their complex interactions. As a result, these models suffer from biases in key variables, such as the 2-m temperature, boundary-layer depth and wind speed. This short paper briefly summarizes the state-of-the-art of stable boundary layer research, and highlights physical processes that received only limited attention so far, in particular orographically-induced gravity wave drag, longwave radiation divergence, and the land-atmosphere coupling over a snow-covered surface. Finally, a conceptual framework with relevant processes and particularly their interactions is proposed.

  2. Reinforcement Toolbox, a Parametric Reinforcement Modelling Tool for Curved Surface Structures

    NARCIS (Netherlands)

    Lauppe, J.; Rolvink, A.; Coenders, J.L.

    2013-01-01

    This paper presents a computational strategy and parametric modelling toolbox which aim at enhancing the design- and production process of reinforcement in freeform curved surface structures. The computational strategy encompasses the necessary steps of raising an architectural curved surface model

  3. Surface structure evolution in a homologous series of ionic liquids.

    Science.gov (United States)

    Haddad, Julia; Pontoni, Diego; Murphy, Bridget M; Festersen, Sven; Runge, Benjamin; Magnussen, Olaf M; Steinrück, Hans-Georg; Reichert, Harald; Ocko, Benjamin M; Deutsch, Moshe

    2018-02-06

    Interfaces of room temperature ionic liquids (RTILs) are important for both applications and basic science and are therefore intensely studied. However, the evolution of their interface structure with the cation's alkyl chain length [Formula: see text] from Coulomb to van der Waals interaction domination has not yet been studied for even a single broad homologous RTIL series. We present here such a study of the liquid-air interface for [Formula: see text], using angstrom-resolution X-ray methods. For [Formula: see text], a typical "simple liquid" monotonic surface-normal electron density profile [Formula: see text] is obtained, like those of water and organic solvents. For [Formula: see text], increasingly more pronounced nanoscale self-segregation of the molecules' charged moieties and apolar chains yields surface layering with alternating regions of headgroups and chains. The layering decays into the bulk over a few, to a few tens, of nanometers. The layering periods and decay lengths, their linear [Formula: see text] dependence, and slopes are discussed within two models, one with partial-chain interdigitation and the other with liquid-like chains. No surface-parallel long-range order is found within the surface layer. For [Formula: see text], a different surface phase is observed above melting. Our results also impact general liquid-phase issues like supramolecular self-aggregation and bulk-surface structure relations.

  4. Numerical analysis of micro-/nanoscale gas-film lubrication of sliding surface with complicated structure

    International Nuclear Information System (INIS)

    Kawagoe, Yoshiaki; Isono, Susumu; Takeno, Takanori; Yonemura, Shigeru; Takagi, Toshiyuki; Miki, Hiroyuki

    2014-01-01

    It has been reported that the friction between a partially polished diamond-coated surface and a metal surface was drastically reduced to zero when they are slid at a few m/s. Since the sliding was noiseless, it seems that the diamond-coated surface was levitated over the counter surface and the sliding mechanism was the gas film lubrication. Recently, the mechanism of levitation of a slider with a micro/nanoscale surface structure on a rotating disk was theoretically clarified [S. Yonemura et al., Tribol. Lett., (2014), doi:10.1007/s11249-014-0368-2]. Probably, the partially polished diamond-coated surface may be levitated by high gas pressure generated by the micro/nanoscale surface structure on it. In this study, in order to verify our deduction, we performed numerical simulations of sliding of partially polished diamond-coated surface by reproducing its complicated surface structure using the data measured by an atomic force microscope (AFM). As a result, we obtained the lift force which is large enough to levitate the slider used in the experiment

  5. Numerical analysis of micro-/nanoscale gas-film lubrication of sliding surface with complicated structure

    Energy Technology Data Exchange (ETDEWEB)

    Kawagoe, Yoshiaki; Isono, Susumu; Takeno, Takanori [Department of Nanomechanics, Graduate School of Engineering, Tohoku University, 6-6-01 Aoba, Aramaki, Aoba-ku, Sendai 980-8579 (Japan); Yonemura, Shigeru; Takagi, Toshiyuki [Institute of Fluid Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Miki, Hiroyuki [Frontier Research Institute for Interdisciplinary Sciences, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai 980-8578 (Japan)

    2014-12-09

    It has been reported that the friction between a partially polished diamond-coated surface and a metal surface was drastically reduced to zero when they are slid at a few m/s. Since the sliding was noiseless, it seems that the diamond-coated surface was levitated over the counter surface and the sliding mechanism was the gas film lubrication. Recently, the mechanism of levitation of a slider with a micro/nanoscale surface structure on a rotating disk was theoretically clarified [S. Yonemura et al., Tribol. Lett., (2014), doi:10.1007/s11249-014-0368-2]. Probably, the partially polished diamond-coated surface may be levitated by high gas pressure generated by the micro/nanoscale surface structure on it. In this study, in order to verify our deduction, we performed numerical simulations of sliding of partially polished diamond-coated surface by reproducing its complicated surface structure using the data measured by an atomic force microscope (AFM). As a result, we obtained the lift force which is large enough to levitate the slider used in the experiment.

  6. A First Principles Study of H2 Adsorption on LaNiO3(001 Surfaces

    Directory of Open Access Journals (Sweden)

    Changchang Pan

    2017-01-01

    Full Text Available The adsorption of H2 on LaNiO3 was investigated using density functional theory (DFT calculations. The adsorption sites, adsorption energy, and electronic structure of LaNiO3(001/H2 systems were calculated and indicated through the calculated surface energy that the (001 surface was the most stable surface. By looking at optimized structure, adsorption energy and dissociation energy, we found that there were three types of adsorption on the surface. First, H2 molecules completely dissociate and then tend to bind with the O atoms, forming two –OH bonds. Second, H2 molecules partially dissociate with the H atoms bonding to the same O atom to form one H2O molecule. These two types are chemical adsorption modes; however, the physical adsorption of H2 molecules can also occur. When analyzing the electron structure of the H2O molecule formed by the partial dissociation of the H2 molecule and the surface O atom, we found that the interaction between H2O and the (001 surface was weaker, thus, H2O was easier to separate from the surface to create an O vacancy. On the (001 surface, a supercell was constructed to accurately study the most stable adsorption site. The results from analyses of the charge population; electron localization function; and density of the states indicated that the dissociated H and O atoms form a typical covalent bond and that the interaction between the H2 molecule and surface is mainly due to the overlap-hybridization among the H 1s, O 2s, and O 2p states. Therefore, the conductivity of LaNiO3(001/H2 is stronger after adsorption and furthermore, the conductivity of the LaNiO3 surface is better than that of the LaFeO3 surface.

  7. Surface Structures of Binary Mixture of Ionic Liquids.

    Czech Academy of Sciences Publication Activity Database

    Nakajima, K.; Nakanishi, S.; Lísal, Martin; Kimura, K.

    2017-01-01

    Roč. 230, MARCH (2017), s. 542-549 ISSN 0167-7322 R&D Projects: GA ČR(CZ) GA16-12291S Institutional support: RVO:67985858 Keywords : ionic liquids * mixture * surface structure Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 3.648, year: 2016

  8. Wetting on micro-structured surfaces: modelling and optimization

    DEFF Research Database (Denmark)

    Cavalli, Andrea

    -patterns, and suggests that there is a balance between optimal wetting properties and mechanical robustness of the microposts. We subsequently analyse liquid spreading on surfaces patterned with slanted microposts. Such a geometry induces unidirectional liquid spreading, as observed in several recent experiments. Our...... liquid spreading and spontaneous drop removal on superhydrophobic surfaces. We do this by applying different numerical techniques, suited for the specific topic. We first consider superhydrophobicity, a condition of extreme water repellency associated with very large static contact angles and low roll......The present thesis deals with the wetting of micro-structured surfaces by various fluids, and its goal is to elucidate different aspects of this complex interaction. In this work we address some of the most relevant topics in this field such as superhydrophobicity, oleophobicity, unidirectional...

  9. Study of the local structure of binary surfaces by electron diffraction (XPS, LEED)

    OpenAIRE

    Gereová, Katarína

    2006-01-01

    Study of local structure of binary surface with usage of ultra-thin film of cerium deposited on a Pd (111) single-crystal surface is presented. X-ray photoelectron spectroscopy and diffraction (XPS, XPD), angle resolved UV photoemission spectroscopy (ARUPS) and low energy electron diffraction (LEED) was used for our investigations. LEED and X-ray excited photoemission intensities results represent a surface-geometrical structure. As well, mapping of ultra-violet photoelectron intensities as a...

  10. Structure and stability of semiconductor tip apexes for atomic force microscopy

    International Nuclear Information System (INIS)

    Pou, P; Perez, R; Ghasemi, S A; Goedecker, S; Jelinek, P; Lenosky, T

    2009-01-01

    The short range force between the tip and the surface atoms, that is responsible for atomic-scale contrast in atomic force microscopy (AFM), is mainly controlled by the tip apex. Thus, the ability to image, manipulate and chemically identify single atoms in semiconductor surfaces is ultimately determined by the apex structure and its composition. Here we present a detailed and systematic study of the most common structures that can be expected at the apex of the Si tips used in experiments. We tackle the determination of the structure and stability of Si tips with three different approaches: (i) first principles simulations of small tip apexes; (ii) simulated annealing of a Si cluster; and (iii) a minima hopping study of large Si tips. We have probed the tip apexes by making atomic contacts between the tips and then compared force-distance curves with the experimental short range forces obtained with dynamic force spectroscopy. The main conclusion is that although there are multiple stable solutions for the atomically sharp tip apexes, they can be grouped into a few types with characteristic atomic structures and properties. We also show that the structure of the last atomic layers in a tip apex can be both crystalline and amorphous. We corroborate that the atomically sharp tips are thermodynamically stable and that the tip-surface interaction helps to produce the atomic protrusion needed to get atomic resolution.

  11. Cryogenic surface ion traps

    International Nuclear Information System (INIS)

    Niedermayr, M.

    2015-01-01

    Microfabricated surface traps are a promising architecture to realize a scalable quantum computer based on trapped ions. In principle, hundreds or thousands of surface traps can be located on a single substrate in order to provide large arrays of interacting ions. To this end, trap designs and fabrication methods are required that provide scalable, stable and reproducible ion traps. This work presents a novel surface-trap design developed for cryogenic applications. Intrinsic silicon is used as the substrate material of the traps. The well-developed microfabrication and structuring methods of silicon are utilized to create simple and reproducible traps. The traps were tested and characterized in a cryogenic setup. Ions could be trapped and their life time and motional heating were investigated. Long ion lifetimes of several hours were observed and the measured heating rates were reproducibly low at around 1 phonon per second at a trap frequency of 1 MHz. (author) [de

  12. Structured thermal surface for radiative camouflage.

    Science.gov (United States)

    Li, Ying; Bai, Xue; Yang, Tianzhi; Luo, Hailu; Qiu, Cheng-Wei

    2018-01-18

    Thermal camouflage has been successful in the conductive regime, where thermal metamaterials embedded in a conductive system can manipulate heat conduction inside the bulk. Most reported approaches are background-dependent and not applicable to radiative heat emitted from the surface of the system. A coating with engineered emissivity is one option for radiative camouflage, but only when the background has uniform temperature. Here, we propose a strategy for radiative camouflage of external objects on a given background using a structured thermal surface. The device is non-invasive and restores arbitrary background temperature distributions on its top. For many practical candidates of the background material with similar emissivity as the device, the object can thereby be radiatively concealed without a priori knowledge of the host conductivity and temperature. We expect this strategy to meet the demands of anti-detection and thermal radiation manipulation in complex unknown environments and to inspire developments in phononic and photonic thermotronics.

  13. Investigation of the near-surface electronic structure of Cr(001)

    International Nuclear Information System (INIS)

    Klebanoff, L.E.; Robey, S.W.; Liu, G.; Shirley, D.A.

    1985-01-01

    An angle-resolved photoelectron spectroscopy (ARPES) study of Cr(001) near-surface electronic structure is presented. Measurements are reported for energy-band dispersions along the [010] direction parallel to the crystal surface. The periodicity of these band dispersions indicates that the valence electrons experience and self-consistently establish antiferromagnetism in the near-surface layers of Cr(001). We also present highly-surface-sensitive ARPES measurements of the energy-band dispersions along the [001] direction normal to the surface. The results suggest that the surface magnetic moments, which couple ferromagnetically to each other within the surface layer, couple antiferromagnetically to the moments of the atoms in the second layer. Temperature-dependent studies are presented that reveal the persistence of near-surface antiferromagnetic order for temperatures up to 2.5 times the bulk Neel temperature. The temperature dependence of this antiferromagnetic order suggests that its thermal stability derives in part from the stability of the Cr(001) ferromagnetic surface phase

  14. Stable structures for Al{sub 20} clusters

    Energy Technology Data Exchange (ETDEWEB)

    Yao Changhong [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China)]. E-mail: phych@zju.edu.cn; Song Bin [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China); Cao Peilin [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China)

    2005-06-20

    The low-lying energy structures of Al{sub 20} cluster are obtained by full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method. A set of new low-lying energy structures including a new lowest energy structure, were found in our calculation. The waist-capped double icosahedral structure, which was considered as the global minimum previously, is merely one of the low-lying structures. Comparison and discussion between Al{sub 20} and Si{sub 20} have been made.

  15. Exact simulation of max-stable processes.

    Science.gov (United States)

    Dombry, Clément; Engelke, Sebastian; Oesting, Marco

    2016-06-01

    Max-stable processes play an important role as models for spatial extreme events. Their complex structure as the pointwise maximum over an infinite number of random functions makes their simulation difficult. Algorithms based on finite approximations are often inexact and computationally inefficient. We present a new algorithm for exact simulation of a max-stable process at a finite number of locations. It relies on the idea of simulating only the extremal functions, that is, those functions in the construction of a max-stable process that effectively contribute to the pointwise maximum. We further generalize the algorithm by Dieker & Mikosch (2015) for Brown-Resnick processes and use it for exact simulation via the spectral measure. We study the complexity of both algorithms, prove that our new approach via extremal functions is always more efficient, and provide closed-form expressions for their implementation that cover most popular models for max-stable processes and multivariate extreme value distributions. For simulation on dense grids, an adaptive design of the extremal function algorithm is proposed.

  16. 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

  17. 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

  18. Activated carbon derived from waste coffee grounds for stable methane storage

    International Nuclear Information System (INIS)

    Kemp, K Christian; Baek, Seung Bin; Lee, Wang-Geun; Kim, Kwang S; Meyyappan, M

    2015-01-01

    An activated carbon material derived from waste coffee grounds is shown to be an effective and stable medium for methane storage. The sample activated at 900 °C displays a surface area of 1040.3 m"2 g"−"1 and a micropore volume of 0.574 cm"3 g"−"1 and exhibits a stable CH_4 adsorption capacity of ∼4.2 mmol g"−"1 at 3.0 MPa and a temperature range of 298 ± 10 K. The same material exhibits an impressive hydrogen storage capacity of 1.75 wt% as well at 77 K and 100 kPa. Here, we also propose a mechanism for the formation of activated carbon from spent coffee grounds. At low temperatures, the material has two distinct types with low and high surface areas; however, activation at elevated temperatures drives off the low surface area carbon, leaving behind the porous high surface area activated carbon. (paper)

  19. Structure of the c(2x2) Mn/Ni(001) surface alloy by quantitative photoelectron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, S.; Denlinger, J.; Chen, X. [Univ. of Wisconsin, Milwaukee, WI (United States)] [and others

    1997-04-01

    Surface alloys are two-dimensional metallic systems that can have structures that are unique to the surface, and have no counterpart in the bulk binary phase diagram. A very unusual structure was reported for the Mn-Ni system, based on a quantitative LEED structure determination, which showed that the Mn atoms were displaced out of the surface by a substantial amount. This displacement was attributed to a large magnetic moment on the Mn atoms. The structure of the Mn-Ni surface alloy was proposed to be based on a bulk termination model. Magnetic measurements on the Mn-Ni surface alloys, however, showed conclusively that the magnetic structure of these surface alloys is completely different from the bulk alloy analogs. For example, bulk MnNi is an antiferromagnet, whereas the surface alloy is ferromagnetic. This suggests that the proposed structure based on bulk termination, may not be correct. X-ray Photoelectron Diffraction (XPD) techniques were used to investigate this structure, using both a comparison to multiple scattering calculations and photoelectron holography. In this article the authors present some of the results from the quantitative analysis of individual diffraction patterns by comparison to theory.

  20. Fine surface structure of unfixed and hydrated macrophages observed by laser-plasma x-ray contact microscopy

    International Nuclear Information System (INIS)

    Yamamoto, Yoshimasa; Friedman, Herman; Yoshimura, Hideyuki; Kinjo, Yasuhito; Shioda, Seiji; Debari, Kazuhiro; Shinohara, Kunio; Rajyaguru, Jayshree; Richardson, Martin

    2000-01-01

    A compact, high-resolution, laser-plasma, x-ray contact microscope using a table-top Nd:glass laser system has been developed and utilized for the analysis of the surface structure of live macrophages. Fine fluffy surface structures of murine peritoneal macrophages, which were live, hydrolyzed and not sliced and stained, were observed by the x-ray microscope followed by analysis using an atomic force microscopy. In order to compare with other techniques, a scanning electron microscopy (SEM) was utilized to observe the surface structure of the macrophages. The SEM offered a fine whole cell image of the same macrophages, which were fixed and dehydrated, but the surfaces were ruffled and different from that of x-ray images. A standard light microscope was also utilized to observe the shape of live whole macrophages. Light microscopy showed some fluffy surface structures of the macrophages, but the resolution was too low to observe the fine structures. Thus, the findings of fine fluffy surface structures of macrophages by x-ray microscopy provide valuable information for studies of phagocytosis, cell spreading and adherence, which are dependent on the surface structure of macrophages. Furthermore, the present study also demonstrates the usefulness of x-ray microscopy for analysis of structures of living cells