WorldWideScience

Sample records for surface dislocation density

  1. Micro-strain, dislocation density and surface chemical state analysis of multication thin films

    Energy Technology Data Exchange (ETDEWEB)

    Jayaram, P., E-mail: jayarampnair@gmail.com [Department of Physics, MES Ponnani College Ponnani, Kerala (India); Pradyumnan, P.P. [Department of Physics, University of Calicut, Kerala 673 635 (India); Karazhanov, S.Zh. [Department for Solar Energy, Institute for Energy Technology, Kjeller (Norway)

    2016-11-15

    Multication complex metal oxide thin films are rapidly expanding the class of materials with many technologically important applications. Herein this work, the surface of the pulsed laser deposited thin films of Zn{sub 2}SnO{sub 4} and multinary compounds obtained by substitution/co-substitution of Sn{sup 4+} with In{sup 3+} and Ga{sup 3+} are studied by X-ray photoelectron emission spectroscopy (X-PES) method. Peaks corresponding to the elements of Zn, Sn, Ga, In and O on the film surface has been identified and contribution of the elements has been studied by the computer aided surface analysis (CASA) software. Binding energies, full-width at half maximum (FWHM), spin-orbit splitting energies, asymmetric peak-shape fitting parameters and quantification of elements in the films are discussed. Studies of structural properties of the films by x-ray diffraction (XRD) technique showed inverse spinel type lattice with preferential orientation. Micro-strain, dislocation density and crystallite sizes in the film surface have been estimated.

  2. Dislocation density changes in nickel under creep

    International Nuclear Information System (INIS)

    Moiseeva, I.V.; Okrainets, P.N.; Pishchak, V.K.

    1984-01-01

    Variation in dislocation density was studied in the process of nickel creep p at t=900 deg c and σ=2 kgf/mm 2 . The dislocation structure was studied independently by the X-ray technique and transmission electron-microscopy. The e two methods show good conformity of results by comparison. It is concluded that independent determination of dislocation density under creep is possible us sing the X-ray technique

  3. Reliability of AlGaN/GaN high electron mobility transistors on low dislocation density bulk GaN substrate: Implications of surface step edges

    Energy Technology Data Exchange (ETDEWEB)

    Killat, N., E-mail: Nicole.Killat@bristol.ac.uk, E-mail: Martin.Kuball@bristol.ac.uk; Montes Bajo, M.; Kuball, M., E-mail: Nicole.Killat@bristol.ac.uk, E-mail: Martin.Kuball@bristol.ac.uk [Center for Device Thermography and Reliability (CDTR), H.H. Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Paskova, T. [Kyma Technologies, Inc., Raleigh, North Carolina 27617 (United States); Materials Science and Engineering Department, North Carolina State University, Raleigh, North Carolina 27695 (United States); Evans, K. R. [Kyma Technologies, Inc., Raleigh, North Carolina 27617 (United States); Leach, J. [Kyma Technologies, Inc., Raleigh, North Carolina 27617 (United States); Electrical and Computer Engineering Department, Virginia Commonwealth University, Richmond, Virginia 23284 (United States); Li, X.; Özgür, Ü.; Morkoç, H. [Electrical and Computer Engineering Department, Virginia Commonwealth University, Richmond, Virginia 23284 (United States); Chabak, K. D.; Crespo, A.; Gillespie, J. K.; Fitch, R.; Kossler, M.; Walker, D. E.; Trejo, M.; Via, G. D.; Blevins, J. D. [Air Force Research Laboratory, Wright-Patterson Air Force Base, Dayton, Ohio 45433 (United States)

    2013-11-04

    To enable gaining insight into degradation mechanisms of AlGaN/GaN high electron mobility transistors, devices grown on a low-dislocation-density bulk-GaN substrate were studied. Gate leakage current and electroluminescence (EL) monitoring revealed a progressive appearance of EL spots during off-state stress which signify the generation of gate current leakage paths. Atomic force microscopy evidenced the formation of semiconductor surface pits at the failure location, which corresponds to the interaction region of the gate contact edge and the edges of surface steps.

  4. Low-dislocation-density epitatial layers grown by defect filtering by self-assembled layers of spheres

    Science.gov (United States)

    Wang, George T.; Li, Qiming

    2013-04-23

    A method for growing low-dislocation-density material atop a layer of the material with an initially higher dislocation density using a monolayer of spheroidal particles to bend and redirect or directly block vertically propagating threading dislocations, thereby enabling growth and coalescence to form a very-low-dislocation-density surface of the material, and the structures made by this method.

  5. Estimation of dislocations density and distribution of dislocations during ECAP-Conform process

    Science.gov (United States)

    Derakhshan, Jaber Fakhimi; Parsa, Mohammad Habibi; Ayati, Vahid; Jafarian, Hamidreza

    2018-01-01

    Dislocation density of coarse grain aluminum AA1100 alloy (140 µm) that was severely deformed by Equal Channel Angular Pressing-Conform (ECAP-Conform) are studied at various stages of the process by electron backscattering diffraction (EBSD) method. The geometrically necessary dislocations (GNDs) density and statistically stored dislocations (SSDs) densities were estimate. Then the total dislocations densities are calculated and the dislocation distributions are presented as the contour maps. Estimated average dislocations density for annealed of about 2×1012 m-2 increases to 4×1013 m-2 at the middle of the groove (135° from the entrance), and they reach to 6.4×1013 m-2 at the end of groove just before ECAP region. Calculated average dislocations density for one pass severely deformed Al sample reached to 6.2×1014 m-2. At micrometer scale the behavior of metals especially mechanical properties largely depend on the dislocation density and dislocation distribution. So, yield stresses at different conditions were estimated based on the calculated dislocation densities. Then estimated yield stresses were compared with experimental results and good agreements were found. Although grain size of material did not clearly change, yield stress shown intensive increase due to the development of cell structure. A considerable increase in dislocations density in this process is a good justification for forming subgrains and cell structures during process which it can be reason of increasing in yield stress.

  6. High dislocation density of tin induced by electric current

    International Nuclear Information System (INIS)

    Liao, Yi-Han; Liang, Chien-Lung; Lin, Kwang-Lung; Wu, Albert T.

    2015-01-01

    A dislocation density of as high as 10 17 /m 2 in a tin strip, as revealed by high resolution transmission electron microscope, was induced by current stressing at 6.5 x 10 3 A/ cm 2 . The dislocations exist in terms of dislocation line, dislocation loop, and dislocation aggregates. Electron Backscattered Diffraction images reflect that the high dislocation density induced the formation of low deflection angle subgrains, high deflection angle Widmanstätten grains, and recrystallization. The recrystallization gave rise to grain refining

  7. Low threading dislocation density aluminum nitride on silicon carbide through the use of reduced temperature interlayers

    KAUST Repository

    Foronda, Humberto M.; Wu, Feng; Zollner, Christian; Alif, Muhammad Esmed; Saifaddin, Burhan; Almogbel, Abdullah; Iza, Michael; Nakamura, Shuji; DenBaars, Steven P.; Speck, James S.

    2017-01-01

    temperature on the AlN crystal quality, defect density, and surface morphology. The crystal quality was characterized using omega rocking curve scans and the threading dislocation density was determined by plan view transmission electron microscopy. The growth

  8. Ultrasound as a probe of dislocation density in aluminum

    International Nuclear Information System (INIS)

    Mujica, Nicolás; Cerda, Maria Teresa; Espinoza, Rodrigo; Lisoni, Judit; Lund, Fernando

    2012-01-01

    Graphical abstract: Display Omitted - Abstract: Dislocations are at the heart of the plastic behavior of crystalline materials yet it is notoriously difficult to perform quantitative, non-intrusive measurements of their single or collective properties. Dislocation density is a critical variable that determines dislocation mobility, strength and ductility. On the one hand, individual dislocations can be probed in detail with transmission electron microscopy. On the other hand, their collective properties must be simulated numerically. Here we show that ultrasound technology can be used to measure dislocation density. This development rests on theory—a generalization of the Granato–Lücke theory for the interaction of elastic waves with dislocations—and resonant ultrasound spectroscopy (RUS) measurements. The chosen material is aluminum, to which different dislocation contents were induced through annealing and cold-rolling processes. The dislocation densities obtained with RUS compare favorably with those inferred from X-ray diffraction, using the modified Williamson–Hall method.

  9. Changes in W monocrystal dislocation density after electroerosion machininig

    International Nuclear Information System (INIS)

    Aleshina, S.A.; Khvostikova, V.D.; Zolotykh, B.N.; Marchuk, A.I.

    1977-01-01

    The variation of the dislocations and microhardness density in surface layers of single crystal tungsten after electro-erosion machining along the plane (100) at pulse energies of 1200, 2500, 5000 μJ and pulse duration of 1 μs has been investigated with a view to determining the optimum value of the intermediate (between processing stages) allowances in the manufacture of parts from single crystals. It is shown that the density of dislocations is determined by pulse energy and that a maximum value for all the machining conditions is observed at a depth of 20 μm, attaining original magnitude at a depth of approximately 100 μm. The microhardness varies similarly between 500-520 and 390-410 H 20

  10. Dislocation density and graphitization of diamond crystals

    International Nuclear Information System (INIS)

    Pantea, C.; Voronin, G.A.; Zerda, T.W.; Gubicza, J.; Ungar, T.

    2002-01-01

    Two sets of diamond specimens compressed at 2 GPa at temperatures varying between 1060 K and 1760 K were prepared; one in which graphitization was promoted by the presence of water and another in which graphitization of diamond was practically absent. X-ray diffraction peak profiles of both sets were analyzed for the microstructure by using the modified Williamson-Hall method and by fitting the Fourier coefficients of the measured profiles by theoretical functions for crystallite size and lattice strain. The procedures determined mean size and size distribution of crystallites as well as the density and the character of the dislocations. The same experimental conditions resulted in different microstructures for the two sets of samples. They were explained in terms of hydrostatic conditions present in the graphitized samples

  11. Dislocation-induced stress in polycrystalline materials: mesoscopic simulations in the dislocation density formalism

    Science.gov (United States)

    Berkov, D. V.; Gorn, N. L.

    2018-06-01

    In this paper we present a simple and effective numerical method which allows a fast Fourier transformation-based evaluation of stress generated by dislocations with arbitrary directions and Burgers vectors if the (site-dependent) dislocation density is known. Our method allows the evaluation of the dislocation stress using a rectangular grid with shape-anisotropic discretization cells without employing higher multipole moments of the dislocation interaction coefficients. Using the proposed method, we first simulate the stress created by relatively simple non-homogeneous distributions of vertical edge and so-called ‘mixed’ dislocations in a disk-shaped sample, which is necessary to understand the dislocation behavior in more complicated systems. The main part of our research is devoted to the stress distribution in polycrystalline layers with the dislocation density rapidly varying with the distance to the layer bottom. Considering GaN as a typical example of such systems, we investigate dislocation-induced stress for edge and mixed dislocations, having random orientations of Burgers vectors among crystal grains. We show that the rapid decay of the dislocation density leads to many highly non-trivial features of the stress distributions in such layers and study in detail the dependence of these features on the average grain size. Finally we develop an analytical approach which allows us to predict the evolution of the stress variance with the grain size and compare analytical predictions with numerical results.

  12. Determination of the extinction factor in function of the density of dislocations

    International Nuclear Information System (INIS)

    Macias B, L.R.

    1991-12-01

    There are exist three basic types of crystalline lattice defects: point, line (or dislocations) and surface defects. Such defects may be incorporated intentionally to produce desired mechanical and physical properties. This report presents a FORTRAN language program to calculate the extinction factor in samples of polycrystalline copper as function of the dislocations density. (Author)

  13. Stress-free states of continuum dislocation fields : Rotations, grain boundaries, and the Nye dislocation density tensor

    NARCIS (Netherlands)

    Limkumnerd, Surachate; Sethna, James P.

    We derive general relations between grain boundaries, rotational deformations, and stress-free states for the mesoscale continuum Nye dislocation density tensor. Dislocations generally are associated with long-range stress fields. We provide the general form for dislocation density fields whose

  14. Determination of dislocation densities in InN

    Energy Technology Data Exchange (ETDEWEB)

    Ardali, Sukru; Tiras, Engin [Department of Physics, Faculty of Science, Anadolu University, Yunus Emre Campus, Eskisehir 26470 (Turkey); Gunes, Mustafa; Balkan, Naci [School of Computer Science and Electronic Engineering, University of Essex, Wivenhoe Park, Colchester CO4 3SQ (United Kingdom); Ajagunna, Adebowale Olufunso; Iliopoulos, Eleftherios; Georgakilas, Alexandros [Microelectronics Research Group, IESL, FORTH and Physics Department, University of Crete, P.O. Box 1385, 71110 Heraklion-Crete (Greece)

    2012-03-15

    The magneto-transport measurements, carried out at magnetic fields up to 11 T and in the temperature range between 1.8 K and 300 K, are used to investigate the scattering mechanisms in GaN/InN/AlN double heterojunctions. Theoretical modeling is based on a variational approach to solving Boltzmann transport equation. It is found that dislocation scattering is the dominant scattering mechanisms at low temperatures because of the large lattice mismatch with the substrate and hence the high density of dislocations in these material systems. Nevertheless, InN epilayers are characterized by a high background carrier density, probably associated with unwanted impurities. Therefore, we also included in our calculations the ionized impurity scattering. However, the effect of ionized impurity scattering as well as the acoustic phonon scattering, remote- background-ionized impurity scattering, and interface roughness scattering on electron mobility are much smaller than that of dislocation scattering. The dislocation densities, in samples with InN thicknesses of 0.4, 0.6 and 0.8 {mu}m, are then determined from the best fit to the experimental data for the low-temperature transport mobility (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Low threading dislocation density aluminum nitride on silicon carbide through the use of reduced temperature interlayers

    KAUST Repository

    Foronda, Humberto M.

    2017-11-23

    In this work, reduced threading dislocation density AlN on (0 0 0 1) 6H-SiC was realized through the use of reduced temperature AlN interlayers in the metalorganic chemical vapor deposition growth. We explored the dependence of the interlayer growth temperature on the AlN crystal quality, defect density, and surface morphology. The crystal quality was characterized using omega rocking curve scans and the threading dislocation density was determined by plan view transmission electron microscopy. The growth resulted in a threading dislocation density of 7 × 108 cm−2 indicating a significant reduction in the defect density of AlN in comparison to direct growth of AlN on SiC (∼1010 cm−2). Atomic force microscopy images demonstrated a clear step-terrace morphology that is consistent with step flow growth at high temperature. Reducing the interlayer growth temperature increased the TD inclination and thus enhanced TD-TD interactions. The TDD was decreased via fusion and annihilation reactions.

  16. Intermittent dislocation density fluctuations in crystal plasticity from a phase-field crystal model

    DEFF Research Database (Denmark)

    Tarp, Jens M.; Angheluta, Luiza; Mathiesen, Joachim

    2014-01-01

    Plastic deformation mediated by collective dislocation dynamics is investigated in the two-dimensional phase-field crystal model of sheared single crystals. We find that intermittent fluctuations in the dislocation population number accompany bursts in the plastic strain-rate fluctuations...... propose a simple stochastic model of dislocation reaction kinetics that is able to capture these statistical properties of the dislocation density fluctuations as a function of shear rate....

  17. Determination of dislocation density in Zr-2.5Nb pressure tubes by x-ray

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young Suk; Isaenkova, Perlovich; Cheong, Y. M.; Kim, S. S.; Yim, K. S.; Kwon, Sang Chul

    2000-11-01

    For X-ray determination of the dislocation density in CANDU Zr-2.5%Nb pressure tubes, a program was developed, using the Fourier analysis of X-ray line profiles and calculation of dislocation density by values of the coherent block size and the lattice distortion. The coincidence of obtained values of c- and a-dislocations with those, determined by the X-ray method for the same tube in AECL, was assumed to be the main criterion of validity of the developed program. The final variant of the program allowed to attain a rather close coincidence of calculated dislocation densities with results of AECL. The dislocation density was determined in all the zirconium grains with different orientations based on the texture of the stree-relieved CANDU tube. The complete distribution of c-dislocation density in -Zr grains depecding on their crystallographic orientations was constructed. The distribution of a-dislocation density within the texture maximum at L-direction, containing prismatic axes of all grains, was constructed as well. The analysis of obtained distributions testifies that -Zr grains of the stree-relieved CANDU tube significantly differ in their dislocation densities. Plotted diagrams of correlation between the dislocation density and the pole density allow to estimate the actual connection between texture and dislocation distribution in the studied tube. The distributions of volume fractions of all the zirconium grains depending on their dislocation density were calculated both for c- and a-dislocations. The distributions characterizes quantitatively the inhomogeneity of substructure conditions in the stress-relieved CANDU tube. the optimal procedure for determination of Nb content in {beta}-phases of CANDU Zr-2.5%Nb pressure tubes was also established.

  18. Dislocation behavior of surface-oxygen-concentration controlled Si wafers

    International Nuclear Information System (INIS)

    Asazu, Hirotada; Takeuchi, Shotaro; Sannai, Hiroya; Sudo, Haruo; Araki, Koji; Nakamura, Yoshiaki; Izunome, Koji; Sakai, Akira

    2014-01-01

    We have investigated dislocation behavior in the surface area of surface-oxygen-concentration controlled Si wafers treated by a high temperature rapid thermal oxidation (HT-RTO). The HT-RTO process allows us to precisely control the interstitial oxygen concentration ([O i ]) in the surface area of the Si wafers. Sizes of rosette patterns, generated by nano-indentation and subsequent thermal annealing at 900 °C for 1 h, were measured for the Si wafers with various [O i ]. It was found that the rosette size decreases in proportion to the − 0.25 power of [O i ] in the surface area of the Si wafers, which were higher than [O i ] of 1 × 10 17 atoms/cm 3 . On the other hand, [O i ] of lower than 1 × 10 17 atoms/cm 3 did not affect the rosette size very much. These experimental results demonstrate the ability of the HT-RTO process to suppress the dislocation movements in the surface area of the Si wafer. - Highlights: • Surface-oxygen-concentration controlled Si wafers have been made. • The oxygen concentration was controlled by high temperature rapid thermal oxidation. • Dislocation behavior in the surface area of the Si wafers has been investigated. • Rosette size decreased with increasing of interstitial oxygen atoms. • The interstitial oxygen atoms have a pinning effect of dislocations at the surface

  19. Optimization of hetero-epitaxial growth for the threading dislocation density reduction of germanium epilayers

    Science.gov (United States)

    Chong, Haining; Wang, Zhewei; Chen, Chaonan; Xu, Zemin; Wu, Ke; Wu, Lan; Xu, Bo; Ye, Hui

    2018-04-01

    In order to suppress dislocation generation, we develop a "three-step growth" method to heteroepitaxy low dislocation density germanium (Ge) layers on silicon with the MBE process. The method is composed of 3 growth steps: low temperature (LT) seed layer, LT-HT intermediate layer as well as high temperature (HT) epilayer, successively. Threading dislocation density (TDD) of epitaxial Ge layers is measured as low as 1.4 × 106 cm-2 by optimizing the growth parameters. The results of Raman spectrum showed that the internal strain of heteroepitaxial Ge layers is tensile and homogeneous. During the growth of LT-HT intermediate layer, TDD reduction can be obtained by lowering the temperature ramping rate, and high rate deposition maintains smooth surface morphology in Ge epilayer. A mechanism based on thermodynamics is used to explain the TDD and surface morphological dependence on temperature ramping rate and deposition rate. Furthermore, we demonstrate that the Ge layer obtained can provide an excellent platform for III-V materials integrated on Si.

  20. Dislocations

    Science.gov (United States)

    ... Fitness Diseases & Conditions Infections Drugs & Alcohol School & Jobs Sports Expert Answers (Q&A) Staying Safe Videos for Educators Search English Español First Aid: ... bones become separated. Dislocations are caused by falls and hard impacts, such as in sports injuries, and are more common in teens than ...

  1. Determination of the extinction factor in function of the density of dislocations; Determinacion del factor de extincion en funcion de la densidad de dislocaciones

    Energy Technology Data Exchange (ETDEWEB)

    Macias B, L.R

    1991-12-15

    There are exist three basic types of crystalline lattice defects: point, line (or dislocations) and surface defects. Such defects may be incorporated intentionally to produce desired mechanical and physical properties. This report presents a FORTRAN language program to calculate the extinction factor in samples of polycrystalline copper as function of the dislocations density. (Author)

  2. Reply to 'Comment on 'Interaction of a surface wave with a dislocation''

    International Nuclear Information System (INIS)

    Maurel, Agnes; Pagneux, Vincent; Barra, Felipe; Lund, Fernando

    2009-01-01

    A subsurface moving dislocation in an elastic half space generates vertical displacements at the free surface. We compare this displacement for two different values of the dislocation viscous drag coefficient. The different resulting surface patterns suggest the free surface plays a decisive dynamical effect. We thus compare this displacement, using the dynamic Green function for an elastic half space, with the result of the calculation using the static Green function for an infinite space, as in the work of Zolotoyabko and Shilo [preceding paper, Phys. Rev. B 80, 136101 (2009), and Shilo and Zolotoyabko, Phys. Rev. Lett. 91, 115506 (2003)] when the dislocation dynamics is the same. Considering the static Green function of an infinite space instead of the correct dynamic Green function of the half space leads to an underestimation of the resulting displacement at the free surface by a factor up to 50 for dislocation depths smaller than one Rayleigh wavelength λ R . We also discuss the constraints that recent ultrasound attenuation and resonant ultrasound spectroscopy experiments place on dislocation parameters, such as density and viscous drag coefficient.

  3. Dislocation density evolution in the process of high-temperature treatment and creep of EK-181 steel

    Energy Technology Data Exchange (ETDEWEB)

    Vershinina, Tatyana, E-mail: vershinina@bsu.edu.ru [Belgorod State National Research University, Pobedy street 85, Belgorod 308015 (Russian Federation); Leont' eva-Smirnova, Maria, E-mail: smirnova@bochvar.ru [Bochvar High-Technology Research Institute of Inorganic Materials, ul. Rogova 5, Moscow 123098 (Russian Federation)

    2017-03-15

    X-ray diffraction has been used to study the dislocation structure in ferrite-martensite high-chromium steel EK-181 in the states after heat treatment and high-temperature creep. The influence of heat treatment and stress on evolution of lath martensite structure was investigated by and electron back-scattered diffraction. The effect of nitrogen content on the total dislocation density, fraction of edge and screw dislocation segments are analyzed. - Highlights: •Fraction of edge dislocation in quenched state depends on nitrogen concentration. •Nitrogen affects the character of dislocation structure evolution during annealing. •Edge dislocations fraction influences on dislocation density after aging and creep.

  4. Model for the evolution of network dislocation density in irradiated metals

    International Nuclear Information System (INIS)

    Garner, F.A.; Wolfer, W.G.

    1982-01-01

    It is a well-known fact that the total dislocation density that evolves in irradiated metals is a strong function of irradiation temperature. The dislocation density comprises two components, however, and only one of these (Frank loops) retains its temperature dependence at high fluence. The network dislocation density approaches a saturation level which is relatively insensitive to starting microstructure, stress, irradiation temperature, displacement rate and helium level. The latter statement is supported in this paper by a review of published microstructural data. A model has been developed to explain the insensitivity to many variables of the saturation network dislocation density in irradiated metals. This model also explains how the rate of approach to saturation can be sensitive to displacement rate and temperature while the saturation level itself is not dependent on temperature

  5. Discrete dislocation simulations of the flattening of nanoimprinted surfaces

    International Nuclear Information System (INIS)

    Zhang, Yunhe; Nicola, Lucia; Van der Giessen, Erik

    2010-01-01

    Simulations of rough surface flattening are performed on thin metal films whose roughness is created by nanoimprinting flat single crystals. The imprinting is carried out by means of a rigid template with equal flat contacts at varying spacing. The imprinted surfaces are subsequently flattened by a rigid platen, while the change of roughness and surface profile is computed. Attention is focused mainly on comparing the response of the film surfaces with those of identical films cleared of the dislocations and residual stresses left by the imprinting process. The aim of these studies is to understand to what extent the loading history affects deformation and roughness during flattening. The limiting cases of sticking and frictionless contact between rough surface and platen are analyzed. Results show that when the asperities are flattened such that the contact area is up to about one third of the surface area, the loading history strongly affects the flattening. Specifically, the presence of initial dislocations facilitates the squeezing of asperities independently of the friction conditions of the contact. For larger contact areas, the initial conditions affect only sticking contacts, while frictionless contacts lead to a homogeneous flattening of the asperities due to yield of the metal film. In all cases studied the final surface profile obtained after flattening has little to no resemblance to the original imprinted surface

  6. Influence of dislocation density on internal quantum efficiency of GaN-based semiconductors

    Directory of Open Access Journals (Sweden)

    Jiadong Yu

    2017-03-01

    Full Text Available By considering the effects of stress fields coming from lattice distortion as well as charge fields coming from line charges at edge dislocation cores on radiative recombination of exciton, a model of carriers’ radiative and non-radiative recombination has been established in GaN-based semiconductors with certain dislocation density. Using vector average of the stress fields and the charge fields, the relationship between dislocation density and the internal quantum efficiency (IQE is deduced. Combined with related experimental results, this relationship is fitted well to the trend of IQEs of bulk GaN changing with screw and edge dislocation density, meanwhile its simplified form is fitted well to the IQEs of AlGaN multiple quantum well LEDs with varied threading dislocation densities but the same light emission wavelength. It is believed that this model, suitable for different epitaxy platforms such as MOCVD and MBE, can be used to predict to what extent the luminous efficiency of GaN-based semiconductors can still maintain when the dislocation density increases, so as to provide a reasonable rule of thumb for optimizing the epitaxial growth of GaN-based devices.

  7. Hardening and softening analysis of pure titanium based on the dislocation density during torsion deformation

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Han; Li, Fuguo, E-mail: fuguolx@nwpu.edu.cn; Li, Jinghui; Ma, Xinkai; Li, Jiang; Wan, Qiong

    2016-08-01

    The hardening and softening phenomena during torsion deformation are studied based on the Taylor dislocation model for pure titanium. The hardening and softening phenomena are observed through the hardness analysis during micro-indentation test and micro-hardness test. Besides, the variations of indentation size also verify the existence of hardening and softening phenomena during torsion. The variations of geometric necessary dislocations (GNDs) and statistic store dislocations (SSDs) state that the positions of high dislocation density and low dislocation density correspond to the positions of hardening and softening. The results from the microstructure, grain boundaries evolution and twins analysis indicate the twins play an important role in appearance of hardening and softening phenomena. The appearance of hardening and softening phenomena are attributed to the combination of different slip systems and twinning systems combining with the Schmid Factor (SF) analysis and the transmission electron microscope (TEM). The appearance of hardening and softening phenomena can be explained by the Taylor dislocation theory based on TEM analysis. - Highlights: • The phenomena can be characterized by Taylor dislocation model. • The variation of GNDs leads to the phenomena. • The phenomena are proved by micro-hardness, indentation hardness. • The {10-12} twin and {11-24} twin play an important role in the phenomena.

  8. New vacancy source in ultrahigh-purity aluminium single crystals with a low dislocation density

    Energy Technology Data Exchange (ETDEWEB)

    Mizuno, Kaoru; Yamamoto, Satoshi [Shimane Univ., Faculty of Science and Engineering, Matsue, Shimane (Japan); Morikawa, Kimihiko [Hokkaido Univ., Institute for Low Temperature Science, Sapporo, Hokkaido (Japan); Kuga, Masanori [Kanazawa Univ., Faculty of Science, Kanazawa, Ishikawa (Japan); Okamoto, Hiroyuki [Kanazawa Univ., Faculty of Medicine, Kanazawa, Ishikawa (Japan); Hashimoto, Eiji [Hiroshima Univ., Hiroshima Synchrotron Radiation Center, Higashi-Hiroshima, Hiroshima (Japan)

    2004-05-01

    The vacancy generation process in ultrahigh-purity aluminum single crystals with a low dislocation density was investigated by synchrotron radiation topography using a white X-ray beam. Some straight lines were observed in the topographys taken after temperature rose to 300degC from room temperature, and they were confirmed to be rows of successive small interstitial-type dislocation loops grown as vacancy sources. It was concluded that the thermal generation mechanism of vacancies in ultrahigh-purity aluminum single crystals with a low dislocation density consists of the following two steps. First, small interstitial loops are heterogeneously formed in the crystal lattice; second, these convert to lengthened loops with the development of screw components and finally grow into rows of dislocation loops emitting vacancies into the lattice. (author)

  9. New vacancy source in ultrahigh-purity aluminium single crystals with a low dislocation density

    International Nuclear Information System (INIS)

    Mizuno, Kaoru; Yamamoto, Satoshi; Morikawa, Kimihiko; Kuga, Masanori; Okamoto, Hiroyuki; Hashimoto, Eiji

    2004-01-01

    The vacancy generation process in ultrahigh-purity aluminum single crystals with a low dislocation density was investigated by synchrotron radiation topography using a white X-ray beam. Some straight lines were observed in the topographys taken after temperature rose to 300degC from room temperature, and they were confirmed to be rows of successive small interstitial-type dislocation loops grown as vacancy sources. It was concluded that the thermal generation mechanism of vacancies in ultrahigh-purity aluminum single crystals with a low dislocation density consists of the following two steps. First, small interstitial loops are heterogeneously formed in the crystal lattice; second, these convert to lengthened loops with the development of screw components and finally grow into rows of dislocation loops emitting vacancies into the lattice. (author)

  10. A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

    KAUST Repository

    Mohamed, Mamdouh S.

    2015-05-18

    The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kröner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.

  11. A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

    KAUST Repository

    Mohamed, Mamdouh S.; Larson, Ben C.; Tischler, Jon Z.; El-Azab, Anter

    2015-01-01

    The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kröner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.

  12. Density of bunched threading dislocations in epitaxial GaN layers as determined using X-ray diffraction

    Science.gov (United States)

    Barchuk, M.; Holý, V.; Rafaja, D.

    2018-04-01

    X-ray diffraction is one of the most popular experimental methods employed for determination of dislocation densities, as it can recognize both the strain fields and the local lattice rotations produced by dislocations. The main challenge of the quantitative analysis of the dislocation density is the formulation of a suitable microstructure model, which describes the dislocation arrangement and the effect of the interactions between the strain fields from neighboring dislocations reliably in order to be able to determine the dislocation densities precisely. The aim of this study is to prove the capability of X-ray diffraction and two computational methods, which are frequently used for quantification of the threading dislocation densities from X-ray diffraction measurements, in the special case of partially bunched threading dislocations. The first method is based on the analysis of the dislocation-controlled crystal mosaicity, and the other one on the analysis of diffuse X-ray scattering from threading dislocations. The complementarity of both methods is discussed. Furthermore, it is shown how the complementarity of these methods can be used to improve the results of the quantitative analysis of bunched and thus inhomogeneously distributed threading dislocations and to get a better insight into the dislocation arrangement.

  13. Dislocation density and mechanical threshold stress in OFHC copper subjected to SHPB loading and plate impact

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Qiushi [National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang, Sichuan, 621900 (China); Zhao, Feng, E-mail: ifpzfeng@163.com [National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang, Sichuan, 621900 (China); Fu, Hua; Li, Kewu [National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang, Sichuan, 621900 (China); Liu, Fusheng [Key Laboratory of Advanced Technologies of Materials, Southwest Jiaotong University, Chengdu, Sichuan, 610031 (China)

    2017-05-17

    The dislocation density and mechanical threshold stress (MTS) of oxygen-free high-thermal-conductivity (OFHC) copper loaded at strain rates in the range of 10{sup 2} to 10{sup 6} s{sup −1} were measured. Moderate-strain-rate (10{sup 2} to 10{sup 4} s{sup −1}) experiments were performed using a Split Hopkinson Pressure Bar (SHPB). A steel collar was placed around each specimen to control the maximum loading strain. High-strain-rate (10{sup 5} to 10{sup 6} s{sup −1}) experiments were carried out using a 57-mm-bore single-stage gas gun. The radial release effect was eliminated using the momentum trapping technique. The loaded samples were recovered, and the dislocation characteristics and dislocation density were determined by X-ray diffraction profile analysis. The fraction of the screw dislocation was found to decrease with increasing loading strain and strain rate. The dislocation density was found to lie between 1.8×10{sup 14} and 2.2×10{sup 15} m{sup −2}. Quasi-static reload compression tests were performed on the recovered samples at room temperature. The mechanical threshold stress (or the flow stress at 0 K) was obtained by fitting the reload stress–strain data to the MTS model. The results of analysis of the equivalent strain, mechanical threshold stress, and dislocation density measurements suggest that the relation between the mechanical threshold stress and the dislocation density can be described well by the Taylor relationship.

  14. Determining dislocation densities from the extinction effect (review)

    International Nuclear Information System (INIS)

    Ivanov, A.N.; Polyakov, A.M.; Skakov, Yu.A.

    1987-01-01

    Much attention is being given to dynamic x-ray scattering in crystals containing defects. As general diffraction theory for crystals with defects does not at present extend beyond formal expressions and there is no rigorous theory of diffraction by crystals containing dislocations, one describes extinction in a nonideal crystal via phenomenological theories. In this paper, the authors review the various methods of analyzing the dislocation structure from the integral intensities which are based on three extinction models: Darwin's extinction theory; mosaic-crystal scattering theory; and the transport equations method proposed by Stephan for Bragg geometry and Laue geometry. The most rigorous method in a theoretical respect of those covered in this review is based on Kato's extinction theory. The authors consider it necessary to devise a general theory of x-ray scattering for crystals with any type of long-range order in the displacement pattern, although this paper has dealt with some of the applications of quantum mechanics and statistical physics in describing diffraction

  15. Geometrically necessary dislocation densities in olivine obtained using high-angular resolution electron backscatter diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Wallis, David, E-mail: davidwa@earth.ox.ac.uk [Department of Earth Sciences, University of Oxford, South Parks Road, Oxford, Oxfordshire, OX1 3AN (United Kingdom); Hansen, Lars N. [Department of Earth Sciences, University of Oxford, South Parks Road, Oxford, Oxfordshire, OX1 3AN (United Kingdom); Ben Britton, T. [Department of Materials, Imperial College London, Royal School of Mines, Exhibition Road, London SW7 2AZ (United Kingdom); Wilkinson, Angus J. [Department of Materials, University of Oxford, Parks Road, Oxford, Oxfordshire, OX1 3PH (United Kingdom)

    2016-09-15

    Dislocations in geological minerals are fundamental to the creep processes that control large-scale geodynamic phenomena. However, techniques to quantify their densities, distributions, and types over critical subgrain to polycrystal length scales are limited. The recent advent of high-angular resolution electron backscatter diffraction (HR-EBSD), based on diffraction pattern cross-correlation, offers a powerful new approach that has been utilised to analyse dislocation densities in the materials sciences. In particular, HR-EBSD yields significantly better angular resolution (<0.01°) than conventional EBSD (~0.5°), allowing very low dislocation densities to be analysed. We develop the application of HR-EBSD to olivine, the dominant mineral in Earth's upper mantle by testing (1) different inversion methods for estimating geometrically necessary dislocation (GND) densities, (2) the sensitivity of the method under a range of data acquisition settings, and (3) the ability of the technique to resolve a variety of olivine dislocation structures. The relatively low crystal symmetry (orthorhombic) and few slip systems in olivine result in well constrained GND density estimates. The GND density noise floor is inversely proportional to map step size, such that datasets can be optimised for analysing either short wavelength, high density structures (e.g. subgrain boundaries) or long wavelength, low amplitude orientation gradients. Comparison to conventional images of decorated dislocations demonstrates that HR-EBSD can characterise the dislocation distribution and reveal additional structure not captured by the decoration technique. HR-EBSD therefore provides a highly effective method for analysing dislocations in olivine and determining their role in accommodating macroscopic deformation. - Highlights: • Lattice orientation gradients in olivine were measured using HR-EBSD. • The limited number of olivine slip systems enable simple least squares inversion for GND

  16. Density functional theory studies of screw dislocation core structures in bcc metals

    DEFF Research Database (Denmark)

    Frederiksen, Søren Lund; Jacobsen, Karsten Wedel

    2003-01-01

    The core structures of (I 11) screw dislocations in bee metals are studied using density functional theory in the local-density approximation. For Mo and Fe, direct calculations of the core structures show the cores to be symmetric with respect to 180degrees rotations around an axis perpendicular...... to symmetric core structures for all the studied metals....

  17. Evaluation of dislocation density in copper and brass α deformed by XRD peak width analysis

    International Nuclear Information System (INIS)

    Sousa, Talita Gama de

    2014-01-01

    The determination of dislocation density in metallic materials has been available for many years in scientific environment. This is due to the fact that the dislocations are the main responsible for plastic deformation, which, thereafter, markedly influences the mechanical properties. In this work, the dislocation density was analyzed through peak broadening of Xray diffraction (XRD) using Convolutional Multiple Whole Profile (CMWP) program. The measurements obtained by XRD were compared with those obtained from images observed by transmission electronic microscopy (TEM). The materials used in this study were pure copper and brass α as alloy 268 (6 % Cu and 34 % Zn), deformed by rolling and ECA (equal channel angular extrusion) processes. The results indicate that the XRD is a powerful tool for the characterization of the microstructure in relation to the dislocation density, as they were consistent to the TEM measurements, and also showed good relationship with measurements of hardness. Furthermore, through the dislocation density it was possible to verify the influence of stacking fault energy (SFE) in the evolution of the copper samples deformation process and its alloy, and that the presence of texture in rolled samples did not impair the measurements obtained by XRD technique. (author)

  18. The role of surface roughness on dislocation bending and stress evolution in low mobility AlGaN films during growth

    Science.gov (United States)

    Bardhan, Abheek; Mohan, Nagaboopathy; Chandrasekar, Hareesh; Ghosh, Priyadarshini; Sridhara Rao, D. V.; Raghavan, Srinivasan

    2018-04-01

    The bending and interaction of threading dislocations are essential to reduce their density for applications involving III-nitrides. Bending of dislocation lines also relaxes the compressive growth stress that is essential to prevent cracking on cooling down due to tensile thermal expansion mismatch stress while growing on Si substrates. It is shown in this work that surface roughness plays a key role in dislocation bending. Dislocations only bend and relax compressive stresses when the lines intersect a smooth surface. These films then crack. In rough films, dislocation lines which terminate at the bottom of the valleys remain straight. Compressive stresses are not relaxed and the films are relatively crack-free. The reasons for this difference are discussed in this work along with the implications on simultaneously meeting the requirements of films being smooth, crack free and having low defect density for device applications.

  19. Self-organized pattern formation of biomolecules at silicon surfaces: Intended application of a dislocation network

    International Nuclear Information System (INIS)

    Kittler, M.; Yu, X.; Vyvenko, O.F.; Birkholz, M.; Seifert, W.; Reiche, M.; Wilhelm, T.; Arguirov, T.; Wolff, A.; Fritzsche, W.; Seibt, M.

    2006-01-01

    Defined placement of biomolecules at Si surfaces is a precondition for a successful combination of Si electronics with biological applications. We aim to realize this by Coulomb interaction of biomolecules with dislocations in Si. The dislocations form charged lines and they will be surrounded with a space charge region being connected with an electric field. The electric stray field in a solution of biomolecules, caused by dislocations located close to the Si surface, was estimated to yield values up to few kVcm -1 . A regular dislocation network can be formed by wafer direct bonding at the interface between the bonded wafers in case of misorientation. The adjustment of misorientation allows the variation of the distance between dislocations in a range from 10 nm to a few μm. This is appropriate for nanobiotechnology dealing with protein or DNA molecules with sizes in the nm and lower μm range. Actually, we achieved a distance between the dislocations of 10-20 nm. Also the existence of a distinct electric field formed by the dislocation network was demonstrated by the technique of the electron-beam-induced current (EBIC). Because of the relatively short range of the field, the dislocations have to be placed close to the surface. We positioned the dislocation network in an interface being 200 nm parallel to the Si surface by layer transfer techniques using hydrogen implantation and bonding. Based on EBIC and luminescence data we postulate a barrier of the dislocations at the as bonded interface < 100 meV. We plan to dope the dislocations with metal atoms to increase the electric field. We demonstrated that regular periodic dislocation networks close to the Si surface formed by bonding are realistic candidates for self-organized placing of biomolecules. Experiments are underway to test whether biomolecules decorate the pattern of the dislocation lines

  20. A nitrogen doped low-dislocation density free-standing single crystal diamond plate fabricated by a lift-off process

    Energy Technology Data Exchange (ETDEWEB)

    Mokuno, Yoshiaki, E-mail: mokuno-y@aist.go.jp; Kato, Yukako; Tsubouchi, Nobuteru; Chayahara, Akiyoshi; Yamada, Hideaki; Shikata, Shinichi [Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan)

    2014-06-23

    A nitrogen-doped single crystal diamond plate with a low dislocation density is fabricated by chemical vapor deposition (CVD) from a high pressure high temperature synthetic type IIa seed substrate by ion implantation and lift-off processes. To avoid sub-surface damage, the seed surface was subjected to deep ion beam etching. In addition, we introduced a nitrogen flow during the CVD step to grow low-strain diamond at a relatively high growth rate. This resulted in a plate with low birefringence and a dislocation density as low as 400 cm{sup −2}, which is the lowest reported value for a lift-off plate. Reproducing this lift-off process may allow mass-production of single crystal CVD diamond plates with low dislocation density and consistent quality.

  1. Surface stress mediated image force and torque on an edge dislocation

    Science.gov (United States)

    Raghavendra, R. M.; Divya, Iyer, Ganesh; Kumar, Arun; Subramaniam, Anandh

    2018-07-01

    The proximity of interfaces gives prominence to image forces experienced by dislocations. The presence of surface stress alters the traction-free boundary conditions existing on free-surfaces and hence is expected to alter the magnitude of the image force. In the current work, using a combined simulation of surface stress and an edge dislocation in a semi-infinite body, we evaluate the configurational effects on the system. We demonstrate that if the extra half-plane of the edge dislocation is parallel to the surface, the image force (glide) is not altered due to surface stress; however, the dislocation experiences a torque. The surface stress breaks the 'climb image force' symmetry, thus leading to non-equivalence between positive and negative climb. We discover an equilibrium position for the edge dislocation in the positive 'climb geometry', arising due to a competition between the interaction of the dislocation stress fields with the surface stress and the image dislocation. Torque in the climb configuration is not affected by surface stress (remains zero). Surface stress is computed using a recently developed two-scale model based on Shuttleworth's idea and image forces using a finite element model developed earlier. The effect of surface stress on the image force and torque experienced by the dislocation monopole is analysed using illustrative 3D models.

  2. Effect of strain rate and dislocation density on the twinning behavior in tantalum

    Energy Technology Data Exchange (ETDEWEB)

    Florando, Jeffrey N., E-mail: florando1@llnl.gov; Swift, Damian C.; Barton, Nathan R.; McNaney, James M.; Kumar, Mukul [Lawrence Livermore National Laboratory, 7000 East Ave., Livermore, CA 94550 (United States); El-Dasher, Bassem S. [TerraPower LLC, Bellevue, WA 98005 (United States); Chen, Changqiang [Materials Research Laboratory, University of Illinois at Urbana Champaign, Urbana, IL 61801 (United States); Ramesh, K. T.; Hemker, Kevin J. [Department of Mechanical Engineering, Johns Hopkins University, Baltimore, MD 21218 (United States)

    2016-04-15

    The conditions which affect twinning in tantalum have been investigated across a range of strain rates and initial dislocation densities. Tantalum samples were subjected to a range of strain rates, from 10{sup −4}/s to 10{sup 3}/s under uniaxial stress conditions, and under laser-induced shock-loading conditions. In this study, twinning was observed at 77 K at strain rates from 1/s to 10{sup 3}/s, and during laser-induced shock experiments. The effect of the initial dislocation density, which was imparted by deforming the material to different amounts of pre-strain, was also studied, and it was shown that twinning is suppressed after a given amount of pre-strain, even as the global stress continues to increase. These results indicate that the conditions for twinning cannot be represented solely by a critical global stress value, but are also dependent on the evolution of the dislocation density. In addition, the analysis shows that if twinning is initiated, the nucleated twins may continue to grow as a function of strain, even as the dislocation density continues to increase.

  3. Effect of Dislocation Density on Deformation Behavior of Super Strong Bainitic Steel

    Directory of Open Access Journals (Sweden)

    B. Avishan

    2017-02-01

    Full Text Available Presence of nanoscale bainitic ferrites and high carbon retained austenites that are stable at ambient temperature within the microstructures of super strong bainitic steels makes it possible to achieve exceptional strengths and ductility properties in these groups of nanostructured steels. This article aims to study the effect of the dislocation density variations during tensile testing in ambient temperature on deformation behavior of nanostructured low temperature bainitic steels. Results indicate that dislocation absorption from bainitic ferrite subunits by surrounding retained austenite reduces the work hardening and therefore increases the formability of bainitic ferrite during deformation, which in turn results in a suitable combination of strength and ductility.

  4. Analysis of local dislocation densities in cold-rolled alloy 690 using transmission electron microscopy

    International Nuclear Information System (INIS)

    Ahn, Tae-Young; Kim, Sung Woo; Hwang, Seong Sik

    2016-01-01

    Service failure of alloy 690 in NPP has not been reported. However, some research groups reported that primary water stress corrosion cracking (PWSCC) occurred in severely cold-rolled alloy 690. Transgranular craking was also reported in coll-rolled alloy 690 with a banded structure. In order to understand the effect of cold rolling on the cracking of alloy 690, many research groups have focused on the local strain and the cracked carbide induced by cold-rolling, by using electron backscatter diffraction (EBSD). Transmission electron microscopy (TEM) has been widely used to characterize structural materials because this technique has superior spatial resolution and allows for the analysis of crystallographic and chemical information. The aim of the present study is to understand the mechanism of the abnormally high crack growth rate (CGR) in cold-rolled alloy 690 with a banded structure. The local dislocation density was measured by TEM to confirm the effects of local strain on the stress corrosion cracking (SCC) of alloy 690 with a banded structure. The effects of intragranular carbides on the SCC were also evaluated in this study. The local dislocation densities were directly measured using TEM to understand the effect of local strain on the SCC of Ni-based alloy 690 with a banded structure. The dislocation densities in the interior of the grains sharply increased in highly cold-rolled specimens due to intragranular carbide, which acted as a dislocation source

  5. High dislocation density structures and hardening produced by high fluency pulsed-ion-beam implantation

    International Nuclear Information System (INIS)

    Sharkeev, Yu.P.; Didenko, A.N.; Kozlov, E.V.

    1994-01-01

    The paper presents a review of experimental data on the ''long-range effect'' (a change in dislocation structure and in physicomechanical properties at distances considerably greater than the ion range value in ion-implanted metallic materials and semiconductors). Our results of electron microscopy studies of high density dislocation structure in ion-implanted metallic materials with different initial states are given. It has been shown that the nature of the dislocation structure and its quantitative characteristics in the implanted metals and alloys depend on the target initial state, the ion type and energy and the retained dose. The data obtained by different workers are in good agreement both with our results and with each other as well as with the results of investigation of macroscopic characteristics (wear resistance and microhardness). It has been established that the ''long-range effect'' occurs in metallic materials with a low yield point or high plasticity level and with little dislocation density in their initial state prior to ion implantation. ((orig.))

  6. Effect of orientation of prismatic dislocation loops on interaction with free surfaces in BCC iron

    Science.gov (United States)

    Fikar, Jan; Gröger, Roman; Schäublin, Robin

    2017-12-01

    The prismatic loops appear in metals as a result of high-energy irradiation. Understanding their formation and interaction is important for quantification of irradiation-induced deterioration of mechanical properties. Characterization of dislocation loops in thin foils is commonly made using transmission electron microscopy (TEM), but the results are inevitably influenced by the proximity of free surfaces. The prismatic loops are attracted to free surfaces by image forces. Depending on the type, shape, size, orientation and depth of the loop in the foil, they can escape to the free surface creating denuded loop-free zones and thus invalidating TEM observations. In our previous studies we described a simple general method to determine the critical depth and the critical stress to move prismatic dislocation loops. The critical depths can be further used to correct measurements of the loop density by TEM. Here, we use this procedure to compare 〈100〉 loops and 1/2 〈111〉 loops in body-centered cubic (BCC) iron. The influences of the interatomic potential and the loop orientation are studied in detail. The difference between interstitial and vacancy type loop is also investigated.

  7. Determination of dislocation density by electron backscatter diffraction and X-ray line profile analysis in ferrous lath martensite

    International Nuclear Information System (INIS)

    Berecz, Tibor; Jenei, Péter; Csóré, András; Lábár, János; Gubicza, Jenő

    2016-01-01

    The microstructure and the dislocation density in as-quenched ferrous lath martensite were studied by different methods. The blocks, packets and variants formed due to martensitic transformation were identified and their sizes were determined by electron backscatter diffraction (EBSD). Concomitant transmission electron microscopy (TEM) investigation revealed that the laths contain subgrains with the size between 50 and 100 nm. A novel evaluation procedure of EBSD images was elaborated for the determination of the density and the space distribution of geometrically necessary dislocations from the misorientation distribution. The total dislocation density obtained by X-ray diffraction line profile analysis was in good agreement with the value determined by EBSD, indicating that the majority of dislocations formed due to martensitic transformation during quenching are geometrically necessary dislocations.

  8. A numerical spectral approach to solve the dislocation density transport equation

    International Nuclear Information System (INIS)

    Djaka, K S; Taupin, V; Berbenni, S; Fressengeas, C

    2015-01-01

    A numerical spectral approach is developed to solve in a fast, stable and accurate fashion, the quasi-linear hyperbolic transport equation governing the spatio-temporal evolution of the dislocation density tensor in the mechanics of dislocation fields. The approach relies on using the Fast Fourier Transform algorithm. Low-pass spectral filters are employed to control both the high frequency Gibbs oscillations inherent to the Fourier method and the fast-growing numerical instabilities resulting from the hyperbolic nature of the transport equation. The numerical scheme is validated by comparison with an exact solution in the 1D case corresponding to dislocation dipole annihilation. The expansion and annihilation of dislocation loops in 2D and 3D settings are also produced and compared with finite element approximations. The spectral solutions are shown to be stable, more accurate for low Courant numbers and much less computation time-consuming than the finite element technique based on an explicit Galerkin-least squares scheme. (paper)

  9. Metal viscoplasticity with two-temperature thermodynamics and two dislocation densities

    Science.gov (United States)

    Roy Chowdhury, Shubhankar; Kar, Gurudas; Roy, Debasish; Reddy, J. N.

    2018-03-01

    Posed within the two-temperature theory of non-equilibrium thermodynamics, we propose a model for thermoviscoplastic deformation in metals. We incorporate the dynamics of dislocation densities-mobile and forest—that play the role of internal state variables in the formulation. The description based on two temperatures appears naturally when one recognizes that the thermodynamic system undergoing viscoplastic deformation is composed of two weakly interacting subsystems, viz. a kinetic-vibrational subsystem of the vibrating atomic lattices and a configurational subsystem of the slower degrees of freedom relating to defect motion, each with its own temperature. Starting with a basic model that involves only homogeneous deformation, a three-dimensional model for inhomogeneous viscoplasticity applicable to finite deformation is charted out in an overstress driven viscoplastic deformation framework. The model shows how the coupled evolutions of mobile and forest dislocation densities, which are critically influenced by the dynamics of configurational temperature, govern the strength and ductility of the metal. Unlike most contemporary models, the current proposal also affords a prediction of certain finer details as observed in the experimental data on stress-strain behaviour of metals and this in turn enhances the understanding of the evolving and interacting dislocation densities.

  10. Stochastic dislocation kinetics and fractal structures in deforming metals probed by acoustic emission and surface topography measurements

    Energy Technology Data Exchange (ETDEWEB)

    Vinogradov, A. [Laboratory for the Physics of Strength of Materials and Intelligent Diagnostic Systems, Togliatti State University, Togliatti 445667 (Russian Federation); Laboratory of Hybrid Nanostructured Materials, NITU MISiS, Moscow 119490 (Russian Federation); Yasnikov, I. S. [Laboratory for the Physics of Strength of Materials and Intelligent Diagnostic Systems, Togliatti State University, Togliatti 445667 (Russian Federation); Estrin, Y. [Laboratory of Hybrid Nanostructured Materials, NITU MISiS, Moscow 119490 (Russian Federation); Centre for Advanced Hybrid Materials, Department of Materials Engineering, Monash University, Clayton, VIC 3800 (Australia)

    2014-06-21

    We demonstrate that the fractal dimension (FD) of the dislocation population in a deforming material is an important quantitative characteristic of the evolution of the dislocation structure. Thus, we show that peaking of FD signifies a nearing loss of uniformity of plastic flow and the onset of strain localization. Two techniques were employed to determine FD: (i) inspection of surface morphology of the deforming crystal by white light interferometry and (ii) monitoring of acoustic emission (AE) during uniaxial tensile deformation. A connection between the AE characteristics and the fractal dimension determined from surface topography measurements was established. As a common platform for the two methods, the dislocation density evolution in the bulk was used. The relations found made it possible to identify the occurrence of a peak in the median frequency of AE as a harbinger of plastic instability leading to necking. It is suggested that access to the fractal dimension provided by AE measurements and by surface topography analysis makes these techniques important tools for monitoring the evolution of the dislocation structure during plastic deformation—both as stand-alone methods and especially when used in tandem.

  11. Static Recovery Modeling of Dislocation Density in a Cold Rolled Clad Aluminum Alloy

    Science.gov (United States)

    Penlington, Alex

    Clad alloys feature one or more different alloys bonded to the outside of a core alloy, with non-equilibrium, interalloy interfaces. There is limited understanding of the recovery and recrystallization behaviour of cold rolled clad aluminum alloys. In order to optimize the properties of such alloys, new heat treatment processes may be required that differ from what is used for the monolithic alloys. This study examines the recovery behaviour of a cold rolled Novelis Fusion(TM) alloy containing an AA6XXX core with an AA3003 cladding on one side. The bond between alloys appears microscopically discrete and continuous, but has a 30 microm wide chemical gradient. The as-deformed structure at the interalloy region consists of pancaked sub-grains with dislocations at the misorientation boundaries and a lower density organized within the more open interiors. X-ray line broadening was used to extract the dislocation density from the interalloy region and an equivalently deformed AA6XXX following static annealing using a modified Williamson-Hall analysis. This analysis assumed that Gaussian broadening contributions in a pseudo-Voigt function corresponded only to strain from dislocations. The kinetics of the dislocation density evolution to recrystallization were studied isothermally at 2 minute intervals, and isochronally at 175 and 205°C. The data fit the Nes model, in which the interalloy region recovered faster than AA6XXX at 175°C, but was slower at 205°C. This was most likely caused by change in texture and chemistry within this region such as over-aging of AA6XXX . Simulation of a continuous annealing and self homogenization process both with and without pre-recovery indicates a detectable, though small change in the texture and grain size in the interalloy region.

  12. Evaluation of threading dislocation densities in In- and N-face InN

    International Nuclear Information System (INIS)

    Gallinat, C. S.; Koblmueller, G.; Wu, Feng; Speck, J. S.

    2010-01-01

    The threading dislocation (TD) structure and density has been studied in In- and N-face InN films grown on GaN by plasma-assisted molecular beam epitaxy. The TD densities were determined by nondestructive x-ray diffraction rocking curve measurements in on-axis symmetric and off-axis skew symmetric geometries and calibrated by transmission electron microscopy measurements. TD densities were dominated by edge-type TDs with screw-component TDs accounting for less than 10% of the total TD density. A significant decrease in edge-type TD density was observed for In-face InN films grown at increasingly higher substrate temperatures. In-face InN films grown with excess In exhibited lower TD densities compared to films grown under N-rich conditions. The edge-type TD density of N-face InN films was independent of substrate temperature due to the higher allowable growth temperatures for N-face InN compared to In-face InN. TD densities in In-face InN also showed a strong dependence on film thickness. Films grown at a thickness of less than 1 μm had higher TD densities compared with films grown thicker than 1 μm. The lowest measured TD density for an In-face InN film was ∼1.5x10 10 /cm 2 for 1 μm thick films.

  13. A unified dislocation density-dependent physical-based constitutive model for cold metal forming

    Science.gov (United States)

    Schacht, K.; Motaman, A. H.; Prahl, U.; Bleck, W.

    2017-10-01

    Dislocation-density-dependent physical-based constitutive models of metal plasticity while are computationally efficient and history-dependent, can accurately account for varying process parameters such as strain, strain rate and temperature; different loading modes such as continuous deformation, creep and relaxation; microscopic metallurgical processes; and varying chemical composition within an alloy family. Since these models are founded on essential phenomena dominating the deformation, they have a larger range of usability and validity. Also, they are suitable for manufacturing chain simulations since they can efficiently compute the cumulative effect of the various manufacturing processes by following the material state through the entire manufacturing chain and also interpass periods and give a realistic prediction of the material behavior and final product properties. In the physical-based constitutive model of cold metal plasticity introduced in this study, physical processes influencing cold and warm plastic deformation in polycrystalline metals are described using physical/metallurgical internal variables such as dislocation density and effective grain size. The evolution of these internal variables are calculated using adequate equations that describe the physical processes dominating the material behavior during cold plastic deformation. For validation, the model is numerically implemented in general implicit isotropic elasto-viscoplasticity algorithm as a user-defined material subroutine (UMAT) in ABAQUS/Standard and used for finite element simulation of upsetting tests and a complete cold forging cycle of case hardenable MnCr steel family.

  14. GaAsP solar cells on GaP/Si with low threading dislocation density

    International Nuclear Information System (INIS)

    Yaung, Kevin Nay; Vaisman, Michelle; Lang, Jordan; Lee, Minjoo Larry

    2016-01-01

    GaAsP on Si tandem cells represent a promising path towards achieving high efficiency while leveraging the Si solar knowledge base and low-cost infrastructure. However, dislocation densities exceeding 10"8 cm"−"2 in GaAsP cells on Si have historically hampered the efficiency of such approaches. Here, we report the achievement of low threading dislocation density values of 4.0–4.6 × 10"6 cm"−"2 in GaAsP solar cells on GaP/Si, comparable with more established metamorphic solar cells on GaAs. Our GaAsP solar cells on GaP/Si exhibit high open-circuit voltage and quantum efficiency, allowing them to significantly surpass the power conversion efficiency of previous devices. The results in this work show a realistic path towards dual-junction GaAsP on Si cells with efficiencies exceeding 30%.

  15. Length-scale effect due to periodic variation of geometrically necessary dislocation densities

    DEFF Research Database (Denmark)

    Oztop, M. S.; Niordson, Christian Frithiof; Kysar, J. W.

    2013-01-01

    Strain gradient plasticity theories have been successful in predicting qualitative aspects of the length scale effect, most notably the increase in yield strength and hardness as the size of the deforming volume decreases. However new experimental methodologies enabled by recent developments...... of high spatial resolution diffraction methods in a scanning electron microscope give a much more quantitative understanding of plastic deformation at small length scales. Specifically, geometrically necessary dislocation densities (GND) can now be measured and provide detailed information about...... the microstructure of deformed metals in addition to the size effect. Recent GND measurements have revealed a distribution of length scales that evolves within a metal undergoing plastic deformation. Furthermore, these experiments have shown an accumulation of GND densities in cell walls as well as a variation...

  16. Fe doping for making resistive GaN layers with low dislocation density; consequence on HEMTs

    Energy Technology Data Exchange (ETDEWEB)

    Bougrioua, Z.; Lorenzini, P. [CRHEA-CNRS, rue Bernard Gregory, 06560 Valbonne (France); Azize, M. [CRHEA-CNRS, rue Bernard Gregory, 06560 Valbonne (France); LUMILOG, 2720 Chemin St Bernard, 06220 Vallauris (France); Jimenez, A. [E. Politecnica. Universidad de Alcala, 28871 Alcala de Henares (Spain); Brana, A.F.; Munoz, E. [ETSI Telecomunicacion, UPM, 28040 Madrid (Spain); Beaumont, B.; Gibart, P. [LUMILOG, 2720 Chemin St Bernard, 06220 Vallauris (France)

    2005-05-01

    Highly resistive GaN (>10{sup 8} {omega}{sub {upsilon}}) is grown by MOVPE on sapphire with dislocation density in the range 10{sup 8} to 8 x 10{sup 8} cm{sup -2}, using Fe modulation doping. High mobility 2DEGs are created at AlGaN/GaN:Fe interface for moderate Al composition: 2200 cm{sup 2}/V/s at n{sub s}{proportional_to}7.6 x 10{sup 12} cm{sup -2}. Good DC and RF small signal behaviour could be obtained in HEMTs processed on structures with less dislocated GaN:Fe template: I{sub DS}{sup max}=1.28 A/mm, g{sub m}{sup max} {proportional_to}290 mS/mm and f{sub T} {proportional_to}23 GHz were measured for 0.2 {mu}m transistors. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Stress field of a near-surface basal screw dislocation in elastically anisotropic hexagonal crystals

    Directory of Open Access Journals (Sweden)

    Valeri S. Harutyunyan

    2017-11-01

    Full Text Available In this study, we derive and analyze the analytical expressions for stress components of the dislocation elastic field induced by a near-surface basal screw dislocation in a semi-infinite elastically anisotropic material with hexagonal crystal lattice. The variation of above stress components depending on “free surface–dislocation” distance (i.e., free surface effect is studied by means of plotting the stress distribution maps for elastically anisotropic crystals of GaN and TiB2 that exhibit different degrees of elastic anisotropy. The dependence both of the image force on a screw dislocation and the force of interaction between two neighboring basal screw dislocations on the “free surface–dislocation” distance is analyzed as well. The influence of elastic anisotropy on the latter force is numerically analyzed for GaN and TiB2 and also for crystals of such highly elastically-anisotropic materials as Ti, Zn, Cd, and graphite. The comparatively stronger effect of the elastic anisotropy on dislocation-induced stress distribution quantified for TiB2 is attributed to the higher degree of elastic anisotropy of this compound in comparison to that of the GaN. For GaN and TiB2, the dislocation stress distribution maps are highly influenced by the free surface effect at “free surface–dislocation” distances roughly smaller than ≈15 and ≈50 nm, respectively. It is found that, for above indicated materials, the relative decrease of the force of interaction between near-surface screw dislocations due to free surface effect is in the order Ti > GaN > TiB2 > Zn > Cd > Graphite that results from increase of the specific shear anisotropy parameter in the reverse order Ti < GaN < TiB2 < Zn < Cd < Graphite. The results obtained in this study are also applicable to the case when a screw dislocation is situated in the “thin film–substrate” system at a (0001 basal interface between the film and substrate provided that the elastic constants

  18. Direct determination of elastic strains and dislocation densities in individual subgrains in deformation structures

    DEFF Research Database (Denmark)

    Jakobsen, Bo; Poulsen, Henning Friis; Lienert, U.

    2007-01-01

    A novel synchrotron-based technique "high angular resolution 3DXRD" is presented in detail, and applied to the characterization of oxygen-free, high-conductivity copper at a tensile deformation of 2%. The position and shape in reciprocal space of 14 peaks originating from deeply embedded individual...... subgrains is reported. From this dataset the density of redundant dislocations in the individual subgrains is inferred to be below 12 × 1012 m-2 on average. It is found that the subgrains on average experience a reduction in strain of 0.9 × 10-4 with respect to the mean elastic strain of the full grain...

  19. Method of measuring surface density

    International Nuclear Information System (INIS)

    Gregor, J.

    1982-01-01

    A method is described of measuring surface density or thickness, preferably of coating layers, using radiation emitted by a suitable radionuclide, e.g., 241 Am. The radiation impinges on the measured material, e.g., a copper foil and in dependence on its surface density or thickness part of the flux of impinging radiation is reflected and part penetrates through the material. The radiation which has penetrated through the material excites in a replaceable adjustable backing characteristic radiation of an energy close to that of the impinging radiation (within +-30 keV). Part of the flux of the characteristic radiation spreads back to the detector, penetrates through the material in which in dependence on surface density or thickness of the coating layer it is partly absorbed. The flux of the penetrated characteristic radiation impinging on the face of the detector is a function of surface density or thickness. Only that part of the energy is evaluated of the energy spectrum which corresponds to the energy of characteristic radiation. (B.S.)

  20. Computational analysis of heat transfer, thermal stress and dislocation density during resistively Czochralski growth of germanium single crystal

    Science.gov (United States)

    Tavakoli, Mohammad Hossein; Renani, Elahe Kabiri; Honarmandnia, Mohtaram; Ezheiyan, Mahdi

    2018-02-01

    In this paper, a set of numerical simulations of fluid flow, temperature gradient, thermal stress and dislocation density for a Czochralski setup used to grow IR optical-grade Ge single crystal have been done for different stages of the growth process. A two-dimensional steady state finite element method has been applied for all calculations. The obtained numerical results reveal that the thermal field, thermal stress and dislocation structure are mainly dependent on the crystal height, heat radiation and gas flow in the growth system.

  1. Nucleation and growth of C60 overlayers on the Ag/Pt(111) dislocation network surface

    International Nuclear Information System (INIS)

    Ait-Mansour, K; Ruffieux, P; Xiao, W; Fasel, R; Groening, P; Groening, O

    2007-01-01

    We have investigated the room temperature growth of C 60 overlayers on the strainrelief dislocation network formed by two monolayers of Ag on Pt(111) by means of scanning tunneling microscopy. Extended domains of highly ordered dislocation networks with a typical superlattice parameter of 6.8 nm have been prepared, serving as templates for subsequent C 60 depositions. For low C 60 coverages, the molecules decorate the step-edges, where also the first islands nucleate. This indicates that at room temperature the C 60 molecules are sufficiently mobile to cross the dislocation lines and to diffuse to the step-edges. For C 60 coverages of 0.4 monolayer, besides the islands nucleated at the step-edges, C 60 islands also grow in the middle of terraces. The C 60 islands typically extend over several unit cells of the dislocation network and show an unusual orientation of the hexagonally close-packed C 60 lattice as compared to that found on the bare Ag(111) surface. Whereas C 60 grows preferentially in a (2 √3 x 2 √3) R30 0 structure on Ag(111), on the Ag/Pt(111) dislocation network the C 60 lattice adopts an orientation rotated by 30 0 , with the close-packed C 60 rows aligned along the dislocations which themselves are aligned along the Ag(1-10) directions. For higher coverages in the range of 1-2 monolayers, the growth of C 60 continues in a layer-by-layer fashion

  2. Atomistic study of drag, surface and inertial effects on edge dislocations in face-centered cubic metals

    International Nuclear Information System (INIS)

    Bitzek, Erik; Gumbsch, Peter

    2004-01-01

    Atomistic simulations of an accelerating edge dislocation were carried out to study the effects of drag and inertia. Using an embedded atom potential for nickel, the Peierls stress, the effective mass and the drag coefficient of an edge dislocation were determined for different temperatures and stresses in a simple slab geometry. The effect of {1 1 1} surfaces on an intersecting edge dislocation were studied by appropriately cutting the slab. A dislocation intersecting a surface step was used as a model system to demonstrate the importance of inertial effects for dynamically overcoming short range obstacles. Significant effects were found even at room temperature. A simple model based on the dislocation-obstacle interaction energies was used to describe the findings

  3. Graphene nanoribbons exfoliated from graphite surface dislocation bands by electrostatic force

    International Nuclear Information System (INIS)

    Sidorov, Anton N; Ouseph, P J; Sumanasekera, Gamini; Bansal, Tanesh

    2010-01-01

    We have developed a novel technique to produce long and narrow graphene ribbons with smooth edges. This technique is free of any chemical treatments and involves a combination of two steps: (i) creation of surface dislocation ribbons by high velocity clusters impacting the graphite surface and (ii) electrostatic transferring of the dislocation ribbons to a desired substrate. The width of the ribbons can be controlled by varying the impact velocity of a cluster jet stream from a gas jet impactor. The electrical transport properties were investigated on the ribbons in field effect transistor (FET) configuration. The p-type behavior observed under ambient conditions was found to be reversed upon annealing at 180 deg. C in a vacuum of 10 -7 Torr. Charge transfer effects were observed when the degassed graphene was exposed to N 2 O and NH 3 .

  4. The surface energy, thermal vibrations of dislocation lines and the critical crack extension force

    International Nuclear Information System (INIS)

    Chiang, Chien.

    1979-09-01

    The connections between atomic structure and mechanical properties of metals are interested by many physicist and mechanists recently. The authors of this paper try to connect the fracture of materials with the surface energy and dislocation properties, which may be treated with lattice dynamics and electron theory of solids. It shows that to combine the knowledge of solid state physics and fracture mechanics is quite important. (author)

  5. A novel unified dislocation density-based model for hot deformation behavior of a nickel-based superalloy under dynamic recrystallization conditions

    International Nuclear Information System (INIS)

    Lin, Y.C.; Wen, Dong-Xu; Chen, Xiao-Min; Chen, Ming-Song

    2016-01-01

    In this study, a novel unified dislocation density-based model is presented for characterizing hot deformation behaviors in a nickel-based superalloy under dynamic recrystallization (DRX) conditions. In the Kocks-Mecking model, a new softening item is proposed to represent the impacts of DRX behavior on dislocation density evolution. The grain size evolution and DRX kinetics are incorporated into the developed model. Material parameters of the developed model are calibrated by a derivative-free method of MATLAB software. Comparisons between experimental and predicted results confirm that the developed unified dislocation density-based model can nicely reproduce hot deformation behavior, DRX kinetics, and grain size evolution in wide scope of initial grain size, strain rate, and deformation temperature. Moreover, the developed unified dislocation density-based model is well employed to analyze the time-variant forming processes of the studied superalloy. (orig.)

  6. A novel unified dislocation density-based model for hot deformation behavior of a nickel-based superalloy under dynamic recrystallization conditions

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Y.C. [Central South University, School of Mechanical and Electrical Engineering, Changsha (China); Light Alloy Research Institute of Central South University, Changsha (China); State Key Laboratory of High Performance Complex Manufacturing, Changsha (China); Wen, Dong-Xu; Chen, Xiao-Min [Central South University, School of Mechanical and Electrical Engineering, Changsha (China); Chen, Ming-Song [Central South University, School of Mechanical and Electrical Engineering, Changsha (China); State Key Laboratory of High Performance Complex Manufacturing, Changsha (China)

    2016-09-15

    In this study, a novel unified dislocation density-based model is presented for characterizing hot deformation behaviors in a nickel-based superalloy under dynamic recrystallization (DRX) conditions. In the Kocks-Mecking model, a new softening item is proposed to represent the impacts of DRX behavior on dislocation density evolution. The grain size evolution and DRX kinetics are incorporated into the developed model. Material parameters of the developed model are calibrated by a derivative-free method of MATLAB software. Comparisons between experimental and predicted results confirm that the developed unified dislocation density-based model can nicely reproduce hot deformation behavior, DRX kinetics, and grain size evolution in wide scope of initial grain size, strain rate, and deformation temperature. Moreover, the developed unified dislocation density-based model is well employed to analyze the time-variant forming processes of the studied superalloy. (orig.)

  7. Microtwins and their effect on accumulation of excess dislocation density in grains with different types of crystal lattice bending in deformed austenitic steel

    Energy Technology Data Exchange (ETDEWEB)

    Gibert, Ivan, E-mail: gibert1993@mail.ru [National Research Tomsk Polytechnic University, 30, Lenin Ave., 634050, Tomsk (Russian Federation); Kiseleva, Svetlana, E-mail: kisielieva1946@mail.ru; Popova, Natalya, E-mail: natalya-popova-44@mail.ru; Koneva, Nina, E-mail: koneva@tsuab.ru; Kozlov, Eduard, E-mail: kozlov@tsuab.ru [Tomsk State University of Architecture and Building, 2, Solyanaya Sq., 634003, Tomsk (Russian Federation)

    2016-01-15

    The investigation of excess dislocation density accumulation in the deformed polycrystalline austenitic steel was carried out using transmission electron microscopy (TEM). The distributions of the excess dislocation density in the grains of the deformed austenitic steel with different bending types were obtained and plotted. It was established that in the austenitic polycrystalline steel at the deformation degrees ε = 14 and 25 % the distributions of the excess dislocation density are multimodal. In both cases the grain with compound bending is more stressed. The values of the average excess dislocation density in the grains with the compound and simple bending are less at ε = 25 % than that at ε = 14 %. This is explained by a significant relaxation of the internal stresses in steel with the increase of the deformation degree from 14 % to 25 %. The increase of the number of twinning systems and the material volume fraction covered by twinning leads to the internal stress relaxation and consequently to the increase of the excess dislocation density. The presence of microtwins in the deformed material has an influence on the distribution of the excess dislocation density. In the deformed polycrystalline austenitic steel the number of grains with compound bending is increased with the increase of the plastic deformation degree.

  8. Effect of annealing temperature on the thermal stress and dislocation density of mc-Si ingot grown by DS process for solar cell application

    Science.gov (United States)

    Sanmugavel, S.; Srinivasan, M.; Aravinth, K.; Ramasamy, P.

    2018-04-01

    90% of the solar industries are using crystalline silicon. Cost wise the multi-crystalline silicon solar cells are better compared to mono crystalline silicon. But because of the presence of grain boundaries, dislocations and impurities, the efficiency of the multi-crystalline silicon solar cells is lower than that of mono crystalline silicon solar cells. By reducing the defect and dislocation we can achieve high conversion efficiency. The velocity of dislocation motion increases with stress. By annealing the grown ingot at proper temperature we can decrease the stress and dislocation. Our simulation results show that the value of stress and dislocation density is decreased by annealing the grown ingot at 1400K and the input parameters can be implemented in real system to grow a better mc-Si ingot for energy harvesting applications.

  9. Atomic structure of screw dislocations intersecting the Au(111) surface: A combined scanning tunneling microscopy and molecular dynamics study

    DEFF Research Database (Denmark)

    Engbæk, Jakob; Schiøtz, Jakob; Dahl-Madsen, Bjarke

    2006-01-01

    The atomic-scale structure of naturally occurring screw dislocations intersecting a Au(111) surface has been investigated both experimentally by scanning tunneling microscopy (STM) and theoretically using molecular dynamics (MD) simulations. The step profiles of 166 dislocations were measured using...... STM. Many of them exhibit noninteger step-height plateaus with different widths. Clear evidence was found for the existence of two different populations at the surface with distinct (narrowed or widened) partial-splitting widths. All findings are fully confirmed by the MD simulations. The MD...... simulations extend the STM-, i.e., surface-, investigation to the subsurface region. Due to this additional insight, we can explain the different partial-splitting widths as the result of the interaction between the partial dislocations and the surface....

  10. Surface topology caused by dislocations in polar, semipolar, and nonpolar InGaN/GaN heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Schade, L.; Schwarz, U.T. [Fraunhofer Institute for Applied Solid State Physics IAF, Freiburg (Germany); Department of Microsystems Engineering (IMTEK), University of Freiburg (Germany); Wernicke, T.; Rass, J.; Ploch, S. [Institute of Solid State Physics, TU Berlin (Germany); Weyers, M. [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Berlin (Germany); Kneissl, M. [Institute of Solid State Physics, TU Berlin (Germany); Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Berlin (Germany)

    2014-04-15

    The impact of dislocations on surface topology as well as on quantum well emission in c-plane, semipolar, and nonpolar InGaN/GaN heterostructures is being analyzed by micro-photoluminescence and white-light-interferometry. V-pits with (10 anti 11) and (10 anti 1 anti 4) side facets are identified in a (10 anti 12) semipolar heterostructure. Hillocks formed by spiral growth around screw dislocations change from hexagonal to triangular to rectangular shape in polar, semipolar, and nonpolar heterostructures, respectively, reflecting the symmetry of the individual surface. The emission in semipolar quantum wells, grown homoepitaxially on bulk GaN substrates, show dark stripes aligned with misfit dislocations. For (11 anti 22) and (20 anti 21) orientation, these dark stripes are perpendicular and parallel, respectively, to surface striation. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. GaAsP/InGaP HBTs grown epitaxially on Si substrates: Effect of dislocation density on DC current gain

    Science.gov (United States)

    Heidelberger, Christopher; Fitzgerald, Eugene A.

    2018-04-01

    Heterojunction bipolar transistors (HBTs) with GaAs0.825P0.175 bases and collectors and In0.40Ga0.60P emitters were integrated monolithically onto Si substrates. The HBT structures were grown epitaxially on Si via metalorganic chemical vapor deposition, using SiGe compositionally graded buffers to accommodate the lattice mismatch while maintaining threading dislocation density at an acceptable level (˜3 × 106 cm-2). GaAs0.825P0.175 is used as an active material instead of GaAs because of its higher bandgap (increased breakdown voltage) and closer lattice constant to Si. Misfit dislocation density in the active device layers, measured by electron-beam-induced current, was reduced by making iterative changes to the epitaxial structure. This optimized process culminated in a GaAs0.825P0.175/In0.40Ga0.60P HBT grown on Si with a DC current gain of 156. By considering the various GaAsP/InGaP HBTs grown on Si substrates alongside several control devices grown on GaAs substrates, a wide range of threading dislocation densities and misfit dislocation densities in the active layers could be correlated with HBT current gain. The effect of threading dislocations on current gain was moderated by the reduction in minority carrier lifetime in the base region, in agreement with existing models for GaAs light-emitting diodes and photovoltaic cells. Current gain was shown to be extremely sensitive to misfit dislocations in the active layers of the HBT—much more sensitive than to threading dislocations. We develop a model for this relationship where increased base current is mediated by Fermi level pinning near misfit dislocations.

  12. GaN-Ready Aluminum Nitride Substrates for Cost-Effective, Very Low Dislocation Density III-Nitride LEDs

    International Nuclear Information System (INIS)

    Schujman, Sandra; Schowalter, Leo

    2011-01-01

    The objective of this project was to develop and then demonstrate the efficacy of a cost effective approach for a low defect density substrate on which AlInGaN LEDs can be fabricated. The efficacy of this 'GaN-ready' substrate would then be tested by growing high efficiency, long lifetime InxGa1-xN blue LEDs. The approach used to meet the project objectives was to start with low dislocation density AlN single-crystal substrates and grow graded Al x Ga 1-x N layers on top. Pseudomorphic Al x Ga 1-x N epitaxial layers grown on bulk AlN substrates were used to fabricate light emitting diodes and demonstrate better device performance as a result of the low defect density in these layers when benched marked against state-of-the-art LEDs fabricated on sapphire substrates. The pseudomorphic LEDs showed excellent output powers compared to similar wavelength devices grown on sapphire substrates, with lifetimes exceeding 10,000 hours (which was the longest time that could reliably be estimated). In addition, high internal quantum efficiencies were demonstrated at high driving current densities even though the external quantum efficiencies were low due to poor photon extraction. Unfortunately, these pseudomorphic LEDs require high Al content so they emit in the ultraviolet. Sapphire based LEDs typically have threading dislocation densities (TDD) > 10 8 cm -2 while the pseudomorphic LEDs have TDD (le) 10 5 cm -2 . The resulting TDD, when grading the Al x Ga 1-x N layer all the way to pure GaN to produce a 'GaN-ready' substrate, has varied between the mid 10 8 down to the 10 6 cm -2 . These inconsistencies are not well understood. Finally, an approach to improve the LED structures on AlN substrates for light extraction efficiency was developed by thinning and roughening the substrate.

  13. Surface current density K: an introduction

    DEFF Research Database (Denmark)

    McAllister, Iain Wilson

    1991-01-01

    The author discusses the vector surface of current density K used in electrical insulation studies. K is related to the vector tangential electric field Kt at the surface of a body by the vector equation K=ΓE t where Γ represents the surface conductivity. The author derives a surface continuity...

  14. The Weighted Burgers Vector: a new quantity for constraining dislocation densities and types using electron backscatter diffraction on 2D sections through crystalline materials.

    Science.gov (United States)

    Wheeler, J; Mariani, E; Piazolo, S; Prior, D J; Trimby, P; Drury, M R

    2009-03-01

    The Weighted Burgers Vector (WBV) is defined here as the sum, over all types of dislocations, of [(density of intersections of dislocation lines with a map) x (Burgers vector)]. Here we show that it can be calculated, for any crystal system, solely from orientation gradients in a map view, unlike the full dislocation density tensor, which requires gradients in the third dimension. No assumption is made about gradients in the third dimension and they may be non-zero. The only assumption involved is that elastic strains are small so the lattice distortion is entirely due to dislocations. Orientation gradients can be estimated from gridded orientation measurements obtained by EBSD mapping, so the WBV can be calculated as a vector field on an EBSD map. The magnitude of the WBV gives a lower bound on the magnitude of the dislocation density tensor when that magnitude is defined in a coordinate invariant way. The direction of the WBV can constrain the types of Burgers vectors of geometrically necessary dislocations present in the microstructure, most clearly when it is broken down in terms of lattice vectors. The WBV has three advantages over other measures of local lattice distortion: it is a vector and hence carries more information than a scalar quantity, it has an explicit mathematical link to the individual Burgers vectors of dislocations and, since it is derived via tensor calculus, it is not dependent on the map coordinate system. If a sub-grain wall is included in the WBV calculation, the magnitude of the WBV becomes dependent on the step size but its direction still carries information on the Burgers vectors in the wall. The net Burgers vector content of dislocations intersecting an area of a map can be simply calculated by an integration round the edge of that area, a method which is fast and complements point-by-point WBV calculations.

  15. Electronic properties of dislocations introduced mechanically at room temperature on a single crystal silicon surface

    International Nuclear Information System (INIS)

    Ogawa, Masatoshi; Kamiya, Shoji; Izumi, Hayato; Tokuda, Yutaka

    2012-01-01

    This paper focuses on the effects of temperature and environment on the electronic properties of dislocations in n-type single crystal silicon near the surface. Deep level transient spectroscopy (DLTS) analyses were carried out with Schottky electrodes and p + -n junctions. The trap level, originally found at E C -0.50 eV (as commonly reported), shifted to a shallower level at E C -0.23 eV after a heat treatment at 350 K in an inert environment. The same heat treatment in lab air, however, did not cause any shift. The trap level shifted by the heat treatment in an inert environment was found to revert back to the original level when the specimens were exposed to lab air again. Therefore, the intrinsic trap level is expected to occur at E C -0.23 eV and shift sensitively with gas adsorption in air.

  16. Does low surface brightness mean low density?

    NARCIS (Netherlands)

    deBlok, WJG; McGaugh, SS

    1996-01-01

    We compare the dynamical properties of two galaxies at identical positions on the Tully-Fisher relation, but with different surface brightnesses. We find that the low surface brightness galaxy UGC 128 has a higher mass-to-light ratio, and yet has lower mass densities than the high surface brightness

  17. Density and surface tension of ionic liquids.

    Science.gov (United States)

    Kolbeck, C; Lehmann, J; Lovelock, K R J; Cremer, T; Paape, N; Wasserscheid, P; Fröba, A P; Maier, F; Steinrück, H-P

    2010-12-30

    We measured the density and surface tension of 9 bis[(trifluoromethyl)sulfonyl]imide ([Tf(2)N](-))-based and 12 1-methyl-3-octylimidazolium ([C(8)C(1)Im](+))-based ionic liquids (ILs) with the vibrating tube and the pendant drop method, respectively. This comprehensive set of ILs was chosen to probe the influence of the cations and anions on density and surface tension. When the alkyl chain length in the [C(n)C(1)Im][Tf(2)N] series (n = 1, 2, 4, 6, 8, 10, 12) is increased, a decrease in density is observed. The surface tension initially also decreases but reaches a plateau for alkyl chain lengths greater than n = 8. Functionalizing the alkyl chains with ethylene glycol groups results in a higher density as well as a higher surface tension. For the dependence of density and surface tension on the chemical nature of the anion, relations are only found for subgroups of the studied ILs. Density and surface tension values are discussed with respect to intermolecular interactions and surface composition as determined by angle-resolved X-ray photoelectron spectroscopy (ARXPS). The absence of nonvolatile surface-active contaminants was proven by ARXPS.

  18. Detecting tangential dislocations on planar faults from traction free surface observations

    International Nuclear Information System (INIS)

    Ionescu, Ioan R; Volkov, Darko

    2009-01-01

    We propose in this paper robust reconstruction methods for tangential dislocations on planar faults. We assume that only surface observations are available, and that a traction free condition applies at that surface. This study is an extension to the full three dimensions of Ionescu and Volkov (2006 Inverse Problems 22 2103). We also explore in this present paper the possibility of detecting slow slip events (such as silent earthquakes, or earthquake nucleation phases) from GPS observations. Our study uses extensively an asymptotic estimate for the observed surface displacement. This estimate is first used to derive what we call the moments reconstruction method. Then it is also used for finding necessary conditions for a surface displacement field to have been caused by a slip on a fault. These conditions lead to the introduction of two parameters: the activation factor and the confidence index. They can be computed from the surface observations in a robust fashion. They indicate whether a measured displacement field is due to an active fault. We also infer a second, combined, reconstruction technique blending least square minimization and the moments method. We carefully assess how our reconstruction method is affected by the sensitivity of the observation apparatus and the stepsize for the grid of surface observation points. The maximum permissible stepsize for such a grid is computed for different values of fault depth and orientation. Finally we present numerical examples of reconstruction of faults. We demonstrate that our combined method is sharp, robust and computationally inexpensive. We also note that this method performs satisfactorily for shallow faults, despite the fact that our asymptotic formula deteriorates in that case

  19. X-Ray and Neutron Diffraction Measurements of Dislocation Density and Subgrain Size in a Friction-Stir-Welded Aluminum Alloy

    International Nuclear Information System (INIS)

    Woo, Wan Chuck; Ungar, Tomas; Feng, Zhili; Kenik, Edward A.; Clausen, B.

    2009-01-01

    The dislocation density and subgrain size were determined in the base material and friction-stir welds of 6061-T6 aluminum alloy. High-resolution X-ray diffraction measurement was performed in the base material. The result of the line profile analysis of the X-ray diffraction peak shows that the dislocation density is about 4.5 x 10 14 m -2 and the subgrain size is about 200 nm. Meanwhile, neutron diffraction measurements have been performed to observe the diffraction peaks during friction-stir welding (FSW). The deep penetration capability of the neutron enables us to measure the peaks from the midplane of the Al plate underneath the tool shoulder of the friction-stir welds. The peak broadening analysis result using the Williamson-Hall method shows the dislocation density of about 3.2 x 10 15 m -2 and subgrain size of about 160 nm. The significant increase of the dislocation density is likely due to the severe plastic deformation during FSW. This study provides an insight into understanding the transient behavior of the microstructure under severe thermomechanical deformation

  20. Photon density of states for deformed surfaces

    International Nuclear Information System (INIS)

    Emig, T

    2006-01-01

    A new approach to the Helmholtz spectrum for arbitrarily shaped boundaries and a rather general class of boundary conditions is introduced. We derive the boundary induced change of the density of states in terms of the free Green's function from which we obtain both perturbative and non-perturbative results for the Casimir interaction between deformed surfaces. As an example, we compute the lateral electrodynamic Casimir force between two corrugated surfaces over a wide parameter range. Universal behaviour, fixed only by the largest wavelength component of the surface shape, is identified at large surface separations. This complements known short distance expansions which are also reproduced

  1. High-resolution He beam scattering as a tool for the investigation of the structural and dynamical properties of surface soliton dislocations

    International Nuclear Information System (INIS)

    El-Batanouny, M.; Martini, K.M.

    1986-01-01

    We discuss the applicability of high-resolution-He-beam/surface scattering to the investigation of the structural and dynamic properties of soliton-like surface misfit dislocations and associated phase transitions. We present evidence, based on recent He diffraction measurements, for the existence of double-sine-Gordon soliton-like dislocations on the reconstructed Au(111) surface. 18 refs., 3 figs., 1 tab

  2. Low dislocation density InAlN/AlN/GaN heterostructures grown on GaN substrates and the effects on gate leakage characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Kotani, Junji, E-mail: kotani.junji-01@jp.fujitsu.com; Yamada, Atsushi; Ishiguro, Tetsuro; Tomabechi, Shuichi; Nakamura, Norikazu [Fujitsu Laboratories Ltd., 10-1 Morinosato-Wakamiya, Atsugi, Kanagawa 243-0197 (Japan)

    2016-04-11

    This paper reports on the electrical characterization of Ni/Au Schottky diodes fabricated on InAlN high-electron-mobility transistor (HEMT) structures grown on low dislocation density free-standing GaN substrates. InAlN HEMT structures were grown on sapphire and GaN substrates by metal-organic vapor phase epitaxy, and the effects of threading dislocation density on the leakage characteristics of Ni/Au Schottky diodes were investigated. Threading dislocation densities were determined to be 1.8 × 10{sup 4 }cm{sup −2} and 1.2 × 10{sup 9 }cm{sup −2} by the cathodoluminescence measurement for the HEMT structures grown on GaN and sapphire substrates, respectively. Leakage characteristics of Ni/Au Schottky diodes were compared between the two samples, and a reduction of the leakage current of about three to four orders of magnitude was observed in the forward bias region. For the high reverse bias region, however, no significant improvement was confirmed. We believe that the leakage current in the low bias region is governed by a dislocation-related Frenkel–Poole emission, and the leakage current in the high reverse bias region originates from field emission due to the large internal electric field in the InAlN barrier layer. Our results demonstrated that the reduction of dislocation density is effective in reducing leakage current in the low bias region. At the same time, it was also revealed that another approach will be needed, for instance, band modulation by impurity doping and insertion of insulating layers beneath the gate electrodes for a substantial reduction of the gate leakage current.

  3. Dislocation evolution and properties enhancement of GH2036 by laser shock processing: Dislocation dynamics simulation and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Ren, X.D., E-mail: renxd@mail.ujs.edu.cn [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013 (China); Zhou, W.F.; Ren, Y.P.; Xu, S.D.; Liu, F.F. [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013 (China); Yuan, S.Q. [Research Center of Fluid Machinery Engineering and Technical, Jiangsu University, Zhenjiang 212013 (China); Ren, N.F.; Huang, J.J. [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013 (China)

    2016-01-27

    This paper systematically investigated the effect of laser shock processing (LSP) on dislocation evolution and microstructure configuration of GH2036 alloy. Surface topography and roughness were tested by Axio CSM 700 microscope. The dislocation configurations were characterized by transmission electron microscope (TEM) and simulated by multi-scale discrete dislocation dynamics (DD) method. The results have confirmed that LSP had a beneficial effect on micro-hardness, which could be increased by 16%, and the surface topography exhibited excellent stability even after thermal cycle. The dislocation density and stress–strain response have strong dependence on laser power intensity. Reasonable agreement between DD simulation and experiments is achieved. The results showed that complex random microstructures can be observed in the shocked surface. The grain refinement mechanism of LSP GH2036 involves dislocation segmentation and twin intersections.

  4. DETERMINATION OF SURFACE CHARGE DENSITY OF α ...

    African Journals Online (AJOL)

    a

    The whole set up was interfaced with a computer for easy data acquisition. It was observed that ... parameters. KEY WORDS: Alumina, Surface charge density, Acid-base titration, Point of zero charge ... For instance, Al2(SO4)3 is used in water ...

  5. Exact analytical density profiles and surface tension

    Indian Academy of Sciences (India)

    journal of. May 2005 physics pp. 785–801. Classical charged fluids at equilibrium near ... is provided by the excess surface tension for an air–water interface, which is determined ... the potential drop created by the electric layer which appears as soon as the fluid has ...... radii, by symmetry, the charge density profile is flat,.

  6. Study of methods to increase cluster/dislocation loop densities in electrodes

    Science.gov (United States)

    Yang, Xiaoling; Miley, George H.

    2009-03-01

    Recent research has developed a technique for imbedding ultra-high density deuterium ``clusters'' (50 to 100 atoms per cluster) in various metals such as Palladium (Pd), Beryllium (Be) and Lithium (Li). It was found the thermally dehydrogenated PdHx retained the clusters and exhibited up to 12 percent lower resistance compared to the virginal Pd samplesootnotetextA. G. Lipson, et al. Phys. Solid State. 39 (1997) 1891. SQUID measurements showed that in Pd these condensed matter clusters approach metallic conditions, exhibiting superconducting propertiesootnotetextA. Lipson, et al. Phys. Rev. B 72, 212507 (2005ootnotetextA. G. Lipson, et al. Phys. Lett. A 339, (2005) 414-423. If the fabrication methods under study are successful, a large packing fraction of nuclear reactive clusters can be developed in the electrodes by electrolyte or high pressure gas loading. This will provide a much higher low-energy-nuclear- reaction (LENR) rate than achieved with earlier electrodeootnotetextCastano, C.H., et al. Proc. ICCF-9, Beijing, China 19-24 May, 2002..

  7. Scattered surface charge density: A tool for surface characterization

    KAUST Repository

    Naydenov, Borislav; Mantega, Mauro; Rungger, Ivan; Sanvito, Stefano; Boland, John J.

    2011-01-01

    We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

  8. Scattered surface charge density: A tool for surface characterization

    KAUST Repository

    Naydenov, Borislav

    2011-11-28

    We demonstrate the use of nonlocal scanning tunneling spectroscopic measurements to characterize the local structure of adspecies in their states where they are significantly less perturbed by the probe, which is accomplished by mapping the amplitude and phase of the scattered surface charge density. As an example, we study single-H-atom adsorption on the n-type Si(100)-(4 × 2) surface, and demonstrate the existence of two different configurations that are distinguishable using the nonlocal approach and successfully corroborated by density functional theory. © 2011 American Physical Society.

  9. Microscopically derived free energy of dislocations

    NARCIS (Netherlands)

    Kooiman, M.; Hütter, M.; Geers, M.G.D.

    2015-01-01

    The dynamics of large amounts of dislocations is the governing mechanism in metal plasticity. The free energy of a continuous dislocation density profile plays a crucial role in the description of the dynamics of dislocations, as free energy derivatives act as the driving forces of dislocation

  10. Numerical analysis of thermal stress and dislocation density distributions in large size multi-crystalline silicon ingots during the seeded growth process

    Science.gov (United States)

    Nguyen, Thi Hoai Thu; Chen, Jyh-Chen; Hu, Chieh; Chen, Chun-Hung; Huang, Yen-Hao; Lin, Huang-Wei; Yu, Andy; Hsu, Bruce

    2017-06-01

    In this study, a global transient numerical simulation of silicon growth from the beginning of the solidification process until the end of the cooling process is carried out modeling the growth of an 800 kg ingot in an industrial seeded directional solidification furnace. The standard furnace is modified by the addition of insulating blocks in the hot zone. The simulation results show that there is a significant decrease in the thermal stress and dislocation density in the modified model as compared to the standard one (a maximal decrease of 23% and 75% along the center line of ingot for thermal stress and dislocation density, respectively). This modification reduces the heating power consumption for solidification of the silicon melt by about 17% and shortens the growth time by about 2.5 h. Moreover, it is found that adjusting the operating conditions of modified model to obtain the lower growth rate during the early stages of the solidification process can lower dislocation density and total heater power.

  11. NEW CONCEPTS AND TEST METHODS OF CURVE PROFILE AREA DENSITY IN SURFACE: ESTIMATION OF AREAL DENSITY ON CURVED SPATIAL SURFACE

    OpenAIRE

    Hong Shen

    2011-01-01

    The concepts of curve profile, curve intercept, curve intercept density, curve profile area density, intersection density in containing intersection (or intersection density relied on intersection reference), curve profile intersection density in surface (or curve intercept intersection density relied on intersection of containing curve), and curve profile area density in surface (AS) were defined. AS expressed the amount of curve profile area of Y phase in the unit containing surface area, S...

  12. The influence of surface stress on dislocation emission from sharp and blunt cracks in f.c.c. metals

    DEFF Research Database (Denmark)

    Schiøtz, Jakob

    2000-01-01

    We use computer simulations to study the behaviour of atomically sharp and blunted cracks in various fee metals. The simulations use effective medium potentials which contain many-body interactions. We find that when using potentials representing platinum and gold a sharp crack is stable with res......We use computer simulations to study the behaviour of atomically sharp and blunted cracks in various fee metals. The simulations use effective medium potentials which contain many-body interactions. We find that when using potentials representing platinum and gold a sharp crack is stable...... with respect to the emission of a dislocation from the crack tip, whereas for all other metals studied the sharp crack is unstable. This result cannot be explained by existing criteria for the intrinsic ductile/brittle behaviour of crack tips, but is probably caused by surface stresses. When the crack...... is no longer atomically sharp dislocation emission becomes easier in all the studied metals. The effect is relatively strong; the critical stress intensity factor for emission to occur is reduced by up to 20%. This behaviour appears to be caused by the surface stress near the crack tip. The surface stress...

  13. Dislocation density and Burgers vector population in fiber-textured Ni thin films determined by high-resolution X-ray line profile analysis

    DEFF Research Database (Denmark)

    Csiszár, Gábor; Pantleon, Karen; Alimadadi, Hossein

    2012-01-01

    distribution are determined by high-resolution X-ray diffraction line profile analysis. The substructure parameters are correlated with the strength of the films by using the combined Taylor and Hall-Petch relations. The convolutional multiple whole profile method is used to obtain the substructure parameters......Nanocrystalline Ni thin films have been produced by direct current electrodeposition with different additives and current density in order to obtain 〈100〉, 〈111〉 and 〈211〉 major fiber textures. The dislocation density, the Burgers vector population and the coherently scattering domain size...

  14. Orientation-dependent evolution of the dislocation density in grain populations with different crystallographic orientations relative to the tensile axis in a polycrystalline aggregate of stainless steel

    International Nuclear Information System (INIS)

    Ungár, Tamás; Stoica, Alexandru D.; Tichy, Géza; Wang, Xun-Li

    2014-01-01

    Line profile analysis was carried out on neutron diffraction patterns collected by the energy-dispersive method for an in situ tensile-deformed AISI-316 stainless steel specimen. The experiments were carried out at the VULCAN engineering beam line of the spallation neutron source of the Oak Ridge National Laboratory. Both the dislocation densities and the local stresses in grains oriented with different h k l crystal directions along the tensile axis were determined. The work-hardening equation of Taylor was tested for the h k l-dependent phenomenological constant α. The grain-orientation-dependent α values were directly related to the heterogeneity of dislocation distribution in correlation with previous transmission electron microscopy data

  15. [Elbow dislocation].

    Science.gov (United States)

    de Pablo Márquez, B; Castillón Bernal, P; Bernaus Johnson, M C; Ibañez Aparicio, N M

    Elbow dislocation is the most frequent dislocation in the upper limb after shoulder dislocation. Closed reduction is feasible in outpatient care when there is no associated fracture. A review is presented of the different reduction procedures. Copyright © 2017 Sociedad Española de Médicos de Atención Primaria (SEMERGEN). Publicado por Elsevier España, S.L.U. All rights reserved.

  16. Subtalar dislocation

    International Nuclear Information System (INIS)

    El-Khoury, G.Y.; Yousefzadeh, D.K.; Mulligan, G.M.; Moore, T.E.

    1982-01-01

    Over a period of three years we have seen nine patients with subtalar dislocation, all of whom sustained violent trauma to the region of the ankle and hind foot. All but one patient were males. Clinically a subtalar dislocation resembles a complicated fracture dislocation of the ankle but a definitive diagnosis can only be made radiographically. The mechanism of injury and radiographic features of this injury are discussed. (orig.)

  17. Ultralow threading dislocation density in GaN epilayer on near-strain-free GaN compliant buffer layer and its applications in hetero-epitaxial LEDs.

    Science.gov (United States)

    Shih, Huan-Yu; Shiojiri, Makoto; Chen, Ching-Hsiang; Yu, Sheng-Fu; Ko, Chung-Ting; Yang, Jer-Ren; Lin, Ray-Ming; Chen, Miin-Jang

    2015-09-02

    High threading dislocation (TD) density in GaN-based devices is a long unresolved problem because of the large lattice mismatch between GaN and the substrate, which causes a major obstacle for the further improvement of next-generation high-efficiency solid-state lighting and high-power electronics. Here, we report InGaN/GaN LEDs with ultralow TD density and improved efficiency on a sapphire substrate, on which a near strain-free GaN compliant buffer layer was grown by remote plasma atomic layer deposition. This "compliant" buffer layer is capable of relaxing strain due to the absorption of misfit dislocations in a region within ~10 nm from the interface, leading to a high-quality overlying GaN epilayer with an unusual TD density as low as 2.2 × 10(5) cm(-2). In addition, this GaN compliant buffer layer exhibits excellent uniformity up to a 6" wafer, revealing a promising means to realize large-area GaN hetero-epitaxy for efficient LEDs and high-power transistors.

  18. Dislocation pinning effects induced by nano-precipitates during warm laser shock peening: Dislocation dynamic simulation and experiments

    Science.gov (United States)

    Liao, Yiliang; Ye, Chang; Gao, Huang; Kim, Bong-Joong; Suslov, Sergey; Stach, Eric A.; Cheng, Gary J.

    2011-07-01

    Warm laser shock peening (WLSP) is a new high strain rate surface strengthening process that has been demonstrated to significantly improve the fatigue performance of metallic components. This improvement is mainly due to the interaction of dislocations with highly dense nanoscale precipitates, which are generated by dynamic precipitation during the WLSP process. In this paper, the dislocation pinning effects induced by the nanoscale precipitates during WLSP are systematically studied. Aluminum alloy 6061 and AISI 4140 steel are selected as the materials with which to conduct WLSP experiments. Multiscale discrete dislocation dynamics (MDDD) simulation is conducted in order to investigate the interaction of dislocations and precipitates during the shock wave propagation. The evolution of dislocation structures during the shock wave propagation is studied. The dislocation structures after WLSP are characterized via transmission electron microscopy and are compared with the results of the MDDD simulation. The results show that nano-precipitates facilitate the generation of highly dense and uniformly distributed dislocation structures. The dislocation pinning effect is strongly affected by the density, size, and space distribution of nano-precipitates.

  19. Multiphysical simulation analysis of the dislocation structure in germanium single crystals

    Science.gov (United States)

    Podkopaev, O. I.; Artemyev, V. V.; Smirnov, A. D.; Mamedov, V. M.; Sid'ko, A. P.; Kalaev, V. V.; Kravtsova, E. D.; Shimanskii, A. F.

    2016-09-01

    To grow high-quality germanium crystals is one of the most important problems of growth industry. The dislocation density is an important parameter of the quality of single crystals. The dislocation densities in germanium crystals 100 mm in diameter, which have various shapes of the side surface and are grown by the Czochralski technique, are experimentally measured. The crystal growth is numerically simulated using heat-transfer and hydrodynamics models and the Alexander-Haasen dislocation model in terms of the CGSim software package. A comparison of the experimental and calculated dislocation densities shows that the dislocation model can be applied to study lattice defects in germanium crystals and to improve their quality.

  20. Dislocation dynamics modelling of radiation damage in thin films

    International Nuclear Information System (INIS)

    Ferroni, Francesco; Tarleton, Edmund; Fitzgerald, Steven

    2014-01-01

    Transmission electron microscopy is a key tool for the extraction of information on radiation damage, the understanding of which is critical for materials development for nuclear fusion and fission reactors. Dislocations in TEM samples are subject to strong image forces, owing to the nanometric sample thicknesses, which may introduce artifacts in the damage analysis. Using dislocation dynamics, we elucidate the roles played by dislocation–surface interactions, dislocation–dislocation interactions and self-interactions due to climb for loop types observed in TEM. Comparisons with analytic solutions for a dislocation loop and an edge dislocation in a half-space are included, and the relationship between glide force and loop tilt examined. The parameters for convergence of the zero-traction boundary conditions are obtained, after which the evolution of dislocation structures in a thin film is studied. It is found that three main length scales govern the physical processes: the image force is governed by the distance of the loop from the surface and scales with the film thickness; the glide force is governed by the image stress as well as the loop–loop interaction stress which is in turn governed by the loop spacing L∼1/√ρ, where ρ is the loop density; finally, the climb force depends on the loop size. The three forces compete and their relative magnitudes define the evolution pathway of the dislocation structure. (paper)

  1. Interactions of prismatic dislocation loops with free surfaces in thin foils of body-centered cubic iron

    Czech Academy of Sciences Publication Activity Database

    Fikar, Jan; Gröger, Roman

    2015-01-01

    Roč. 99, OCT (2015), s. 392-401 ISSN 1359-6454 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068; GA MŠk(CZ) EE2.3.20.0214 Institutional support: RVO:68081723 Keywords : Dislocation loop * Dislocation mobility * Dislocation theory * Irradiation effect Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 5.058, year: 2015

  2. Characteristics of threading dislocations in ZnO grown on facet-controlled epitaxial overgrown GaN templates

    International Nuclear Information System (INIS)

    Zhou, H L; Chua, S J; Chow, S Y; Pan, H; Zhu, Y W; Feng, Y P; Wang, L S; Zang, K Y; Liu, W; Tripathy, S

    2007-01-01

    Using transmission electron microscopy (TEM), the authors have investigated the behavior of threading dislocations in ZnO selectively grown on a facet-controlled epitaxial overgrown GaN template. In this case, the ZnO is grown by a vapor transport method. The TEM study in the overgrown regions shows that all the pure-edge type dislocations in ZnO are parallel toward the mask area and vertical propagation of dislocation to the ZnO surface is minimized. Using such a selective growth technique on a faceted semi-polar GaN surface, a reduction of threading dislocation density in ZnO could be achieved

  3. Dislocation Processes and Frictional Stability of Faults

    Science.gov (United States)

    Toy, V. G.; Mitchell, T. M.; Druiventak, A.

    2011-12-01

    surfaces, at least at the slightly sub-seismic deformation rates of these experiments. Furthermore, once sliding initiated on the saw cut surface, an amorphous material was generated. We hypothesise that this could have been due to a breakdown of the crystal structure by a combination of cataclasis and generation of excessive dislocation densities. There would also have been a slight increase in temperature around the sliding surface during and after fault slip, which may have aided the focussing of dislocation processes around the sliding surface.

  4. Perilunate Dislocation

    Directory of Open Access Journals (Sweden)

    John Jiao

    2016-09-01

    Full Text Available History of present illness: A 25-year-old female presented to the emergency department with left wrist pain following a fall off a skateboard. The patient fell on her outstretched left wrist with the wrist dorsiflexed and reported immediate sharp pain to her left wrist that was worse with movement. She denied other trauma. Significant findings: In the left lateral wrist x-ray, the lunate (outlined in blue is dislocated from the rest of the wrist bones (yellow line but still articulates with the radius (red line. The capitate (yellow line does not sit within the distal articulation of the lunate and is displaced dorsally. Additionally, a line drawn through the radius and lunate (green line fails to intersect with the capitate. This is consistent with a perilunate dislocation. This is compared to a lunate dislocation, where the lunate itself is displaced and turned ventrally (spilled teacup and the proximal aspect does not articulate with the radius. Discussion: A perilunate dislocation is a significant closed wrist injury that is easily missed on standard anterior-posterior imaging. These dislocations are relatively rare, involving only 7% of all carpal injuries and are associated with high-energy trauma onto a hyperextended wrist, such as falls from a height, motor vehicle accidents, and sports injuries.1 An untreated perilunate dislocation is associated with high risk of chronic carpal instability and post-traumatic arthritis. If the mechanism of injury is sufficient to suspect perilunate dislocation, multiple radiographic views of the wrist should be ordered. Patients should receive prompt orthopedic consultation for open reduction and ligamentous repair. Even after successful identification and subsequent surgical repair, median nerve neuropathy and post-traumatic arthritis are frequent.2-3

  5. A continuum theory of edge dislocations

    Science.gov (United States)

    Berdichevsky, V. L.

    2017-09-01

    Continuum theory of dislocation aims to describe the behavior of large ensembles of dislocations. This task is far from completion, and, most likely, does not have a "universal solution", which is applicable to any dislocation ensemble. In this regards it is important to have guiding lines set by benchmark cases, where the transition from a discrete set of dislocations to a continuum description is made rigorously. Two such cases have been considered recently: equilibrium of dislocation walls and screw dislocations in beams. In this paper one more case is studied, equilibrium of a large set of 2D edge dislocations placed randomly in a 2D bounded region. The major characteristic of interest is energy of dislocation ensemble, because it determines the structure of continuum equations. The homogenized energy functional is obtained for the periodic dislocation ensembles with a random contents of the periodic cell. Parameters of the periodic structure can change slowly on distances of order of the size of periodic cells. The energy functional is obtained by the variational-asymptotic method. Equilibrium positions are local minima of energy. It is confirmed the earlier assertion that energy density of the system is the sum of elastic energy of averaged elastic strains and microstructure energy, which is elastic energy of the neutralized dislocation system, i.e. the dislocation system placed in a constant dislocation density field making the averaged dislocation density zero. The computation of energy is reduced to solution of a variational cell problem. This problem is solved analytically. The solution is used to investigate stability of simple dislocation arrays, i.e. arrays with one dislocation in the periodic cell. The relations obtained yield two outcomes: First, there is a state parameter of the system, dislocation polarization; averaged stresses affect only dislocation polarization and cannot change other characteristics of the system. Second, the structure of

  6. A density gradient theory based method for surface tension calculations

    DEFF Research Database (Denmark)

    Liang, Xiaodong; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2016-01-01

    The density gradient theory has been becoming a widely used framework for calculating surface tension, within which the same equation of state is used for the interface and bulk phases, because it is a theoretically sound, consistent and computationally affordable approach. Based on the observation...... that the optimal density path from the geometric mean density gradient theory passes the saddle point of the tangent plane distance to the bulk phases, we propose to estimate surface tension with an approximate density path profile that goes through this saddle point. The linear density gradient theory, which...... assumes linearly distributed densities between the two bulk phases, has also been investigated. Numerical problems do not occur with these density path profiles. These two approximation methods together with the full density gradient theory have been used to calculate the surface tension of various...

  7. Versatile Density Functionals for Computational Surface Science

    DEFF Research Database (Denmark)

    Wellendorff, Jess

    Density functional theory (DFT) emerged almost 50 years ago. Since then DFT has established itself as the central electronic structure methodology for simulating atomicscale systems from a few atoms to a few hundred atoms. This success of DFT is due to a very favorable accuracy-to-computational c......Density functional theory (DFT) emerged almost 50 years ago. Since then DFT has established itself as the central electronic structure methodology for simulating atomicscale systems from a few atoms to a few hundred atoms. This success of DFT is due to a very favorable accuracy...... resampling techniques, thereby systematically avoiding problems with overfitting. The first ever density functional presenting both reliable accuracy and convincing error estimation is generated. The methodology is general enough to be applied to more complex functional forms with higher-dimensional fitting...

  8. Influence of mobile dislocations on phase separation in binary alloys

    International Nuclear Information System (INIS)

    Haataja, Mikko; Leonard, Francois

    2004-01-01

    We introduce a continuum model to describe the phase separation of a binary alloy in the presence of mobile dislocations. The kinetics of the local composition and dislocation density are coupled through their elastic fields. We show both analytically and numerically that mobile dislocations modify the standard spinodal decomposition process, and lead to several regimes of growth. Depending on the dislocation mobility and observation time, the phase separation may be accelerated, decelerated, or unaffected by mobile dislocations. For any finite dislocation mobility, we show that the domain growth rate asymptotically becomes independent of the dislocation mobility, and is faster than the dislocation-free growth rate

  9. Biofilm Surface Density Determines Biocide Effectiveness

    Directory of Open Access Journals (Sweden)

    Sara Bas

    2017-12-01

    Full Text Available High resistance of biofilms for chemical challenges is a serious industrial and medical problem. In this work a gradient of surface covered with biofilm has been produced and correlated to the effectiveness of different commercially available oxidative biocides. The results for thin Escherichia coli biofilms grown in rich media supplemented with glucose or lactose on glass or poly methyl methacrylate surfaces indicate that the effectiveness of hydrogen peroxide or chlorine dioxide and quaternary ammonium compounds is inversely proportional to the fraction of the surface covered with the biofilm. In areas where biofilm covered more than 90% of the available surface the biocide treatment was inefficient after 60 min of incubation. The combined effect of oxidant and surfactant increased the effectiveness of the biocide. On the other hand, the increased biofilm viscoelasticity reduced biocide effectiveness. The results emphasize differential biocide effectiveness depending on the fraction of the attached bacterial cells. The results suggest that biofilm biocide resistance is an acquired property that increases with biofilm maturation. The more dense sessile structures present lower log reductions compared to less dense ones.

  10. Investigation of possibility of surface rupture derived from PFDHA and calculation of surface displacement based on dislocation

    Science.gov (United States)

    Inoue, N.; Kitada, N.; Irikura, K.

    2013-12-01

    A probability of surface rupture is important to configure the seismic source, such as area sources or fault models, for a seismic hazard evaluation. In Japan, Takemura (1998) estimated the probability based on the historical earthquake data. Kagawa et al. (2004) evaluated the probability based on a numerical simulation of surface displacements. The estimated probability indicates a sigmoid curve and increases between Mj (the local magnitude defined and calculated by Japan Meteorological Agency) =6.5 and Mj=7.0. The probability of surface rupture is also used in a probabilistic fault displacement analysis (PFDHA). The probability is determined from the collected earthquake catalog, which were classified into two categories: with surface rupture or without surface rupture. The logistic regression is performed for the classified earthquake data. Youngs et al. (2003), Ross and Moss (2011) and Petersen et al. (2011) indicate the logistic curves of the probability of surface rupture by normal, reverse and strike-slip faults, respectively. Takao et al. (2013) shows the logistic curve derived from only Japanese earthquake data. The Japanese probability curve shows the sharply increasing in narrow magnitude range by comparison with other curves. In this study, we estimated the probability of surface rupture applying the logistic analysis to the surface displacement derived from a surface displacement calculation. A source fault was defined in according to the procedure of Kagawa et al. (2004), which determined a seismic moment from a magnitude and estimated the area size of the asperity and the amount of slip. Strike slip and reverse faults were considered as source faults. We applied Wang et al. (2003) for calculations. The surface displacements with defined source faults were calculated by varying the depth of the fault. A threshold value as 5cm of surface displacement was used to evaluate whether a surface rupture reach or do not reach to the surface. We carried out the

  11. Dislocation confinement in the growth of Na flux GaN on metalorganic chemical vapor deposition-GaN

    International Nuclear Information System (INIS)

    Takeuchi, S.; Asazu, H.; Nakamura, Y.; Sakai, A.; Imanishi, M.; Imade, M.; Mori, Y.

    2015-01-01

    We have demonstrated a GaN growth technique in the Na flux method to confine c-, (a+c)-, and a-type dislocations around the interface between a Na flux GaN crystal and a GaN layer grown by metalorganic chemical vapor deposition (MOCVD) on a (0001) sapphire substrate. Transmission electron microscopy (TEM) clearly revealed detailed interface structures and dislocation behaviors that reduced the density of vertically aligned dislocations threading to the Na flux GaN surface. Submicron-scale voids were formed at the interface above the dislocations with a c component in MOCVD-GaN, while no such voids were formed above the a-type dislocations. The penetration of the dislocations with a c component into Na flux GaN was, in most cases, effectively blocked by the presence of the voids. Although some dislocations with a c component in the MOCVD-GaN penetrated into the Na flux GaN, their propagation direction changed laterally through the voids. On the other hand, the a-type dislocations propagated laterally and collectively near the interface, when these dislocations in the MOCVD-GaN penetrated into the Na flux GaN. These results indicated that the dislocation propagation behavior was highly sensitive to the type of dislocation, but all types of dislocations were confined to within several micrometers region of the Na flux GaN from the interface. The cause of void formation, the role of voids in controlling the dislocation behavior, and the mechanism of lateral and collective dislocation propagation are discussed on the basis of TEM results

  12. RZP 202 - a modular system for surface density measurement

    International Nuclear Information System (INIS)

    Severa, L.; Merinsky, J.

    The sensing element is an ionization chamber of the type that has maximum sensitivity to beta radiation of the used radionuclide ( 147 Pm, 85 Kr, 90 Sr- 90 Y) or to gamma radiation of radionuclide 241 Am. Collimation shields were developed for the said sources. Measurement of the ionization currents is made with an electrometer with a vibration capacitor. Invariable configuration is secured by a measuring arm. The modular units are of the CAMAC system design. The surface density meters measure deviations from the rated surface density. The scale for inputting surface density is linear. The configuration, functional continuity of the individual parts and the possibility of variant designs of surface density meters are described and the technical parameters of RZP 202 and its configuration and design are given

  13. Control of threading dislocations by strain engineering in GaInP buffers grown on GaAs substrates

    Energy Technology Data Exchange (ETDEWEB)

    Li, K.L., E-mail: klli2010@sinano.ac.cn [Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, CAS, Suzhou 215123 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Sun, Y.R. [Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, CAS, Suzhou 215123 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Dong, J.R. [Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, CAS, Suzhou 215123 (China); He, Y.; Zeng, X.L. [Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, CAS, Suzhou 215123 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Zhao, Y.M.; Yu, S.Z.; Zhao, C.Y. [Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, CAS, Suzhou 215123 (China)

    2015-10-30

    High quality strain-relaxed In0.3Ga0.7As layers with threading dislocation density about 2 × 10{sup 6} cm{sup −2} and root-mean-square surface roughness below 8.0 nm were obtained on GaAs substrates using compositionally undulating step-graded Ga{sub 1−x}In{sub x}P (x = 0.48–0.78) buffers. The transmission electron microscopy results reveal that the conventional step-graded GaInP buffers produce high density dislocation pile-ups, which are induced by the blocking effect of the nonuniform misfit dislocation strain field and crosshatched surface on the gliding of threading dislocations. In contrast, due to strain compensation, insertion of the tensile GaInP layers decreases the surface roughness and promotes dislocation annihilation in the interfaces, and eventually reduces the threading dislocation density. This provides a promising way to achieve a virtual substrate with the desired lattice parameter for metamorphic device applications. - Highlights: • Metamorphic GaInP buffers were grown by metal–organic chemical vapor deposition. • The compositionally undulating buffers effectively reduce the threading dislocation density. • High quality strain-relaxed In{sub 0.3}Ga{sub 0.7}As layers were obtained.

  14. Silicon surface barrier detectors used for liquid hydrogen density measurement

    Science.gov (United States)

    James, D. T.; Milam, J. K.; Winslett, H. B.

    1968-01-01

    Multichannel system employing a radioisotope radiation source, strontium-90, radiation detector, and a silicon surface barrier detector, measures the local density of liquid hydrogen at various levels in a storage tank. The instrument contains electronic equipment for collecting the density information, and a data handling system for processing this information.

  15. Molecular surface mesh generation by filtering electron density map.

    Science.gov (United States)

    Giard, Joachim; Macq, Benoît

    2010-01-01

    Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.

  16. Molecular Surface Mesh Generation by Filtering Electron Density Map

    Directory of Open Access Journals (Sweden)

    Joachim Giard

    2010-01-01

    Full Text Available Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.

  17. Work softening in nanocrystalline materials induced by dislocation annihilation

    DEFF Research Database (Denmark)

    Ungar, Tamas; Li, Li; Tichy, Geza

    2011-01-01

    Cold rolling reduces the quantity of dislocation densities in Ni–18% Fe alloys prepared by electrochemical deposition. The dislocation density evolution proposed earlier for the linearly decreasing work-hardening rate during stage III is revisited. The solution of the differential equation predicts...... that when the initial dislocation density is smaller or larger than the saturation value, then the dislocation density will increase or decrease during further plastic deformation. The predictions are verified by experimental values of dislocation densities determined by X-ray line-profile analysis....

  18. Current Density and Plasma Displacement Near Perturbed Rational Surface

    International Nuclear Information System (INIS)

    Boozer, A.H.; Pomphrey, N.

    2010-01-01

    The current density in the vicinity of a rational surface of a force-free magnetic field subjected to an ideal perturbation is shown to be the sum of both a smooth and a delta-function distribution, which give comparable currents. The maximum perturbation to the smooth current density is comparable to a typical equilibrium current density and the width of the layer in which the current flows is shown to be proportional to the perturbation amplitude. In the standard linearized theory, the plasma displacement has an unphysical jump across the rational surface, but the full theory gives a continuous displacement.

  19. Smectic meniscus and dislocations

    International Nuclear Information System (INIS)

    Geminard, J.C.; Oswald, P.; Holyst, R.

    1998-01-01

    In ordinary liquids the size of a meniscus and its shape is set by a competition between surface tension and gravity. The thermodynamical process of its creation can be reversible. On the contrary, in smectic liquid crystals the formation of the meniscus is always an irreversible thermodynamic process since it involves the creation of dislocations (therefore it involves friction). Also the meniscus is usually small in experiments with smectics in comparison to the capillary length and therefore the gravity does not play any role in determining the meniscus shape. Here we discuss the relation between dislocations and meniscus in smectics. The theoretical predictions are supported by a recent experiment performed on freely suspended films of smectic liquid crystals. In this experiment the measurement of the meniscus radius of curvature gives the pressure difference, Δp, according to the Laplace law. From the measurements of the growth dynamics of a dislocation loop (governed by Δp) we find the line tension (∼8 x 10 -8 dyn) and the mobility of an elementary edge dislocation (∼4 x 10 - 7 cm 2 s/g). (author)

  20. An elasto-plastic self-consistent model with hardening based on dislocation density, twinning and de-twinning: Application to strain path changes in HCP metals

    International Nuclear Information System (INIS)

    Zecevic, Milovan; Knezevic, Marko; Beyerlein, Irene J.; Tomé, Carlos N.

    2015-01-01

    In this work, we develop a polycrystal mean-field constitutive model based on an elastic–plastic self-consistent (EPSC) framework. In this model, we incorporate recently developed subgrain models for dislocation density evolution with thermally activated slip, twin activation via statistical stress fluctuations, reoriented twin domains within the grain and associated stress relaxation, twin boundary hardening, and de-twinning. The model is applied to a systematic set of strain path change tests on pure beryllium (Be). Under the applied deformation conditions, Be deforms by multiple slip modes and deformation twinning and thereby provides a challenging test for model validation. With a single set of material parameters, determined using the flow-stress vs. strain responses during monotonic testing, the model predicts well the evolution of texture, lattice strains, and twinning. With further analysis, we demonstrate the significant influence of internal residual stresses on (1) the flow stress drop when reloading from one path to another, (2) deformation twin activation, (3) de-twinning during a reversal strain path change, and (4) the formation of additional twin variants during a cross-loading sequence. The model presented here can, in principle, be applied to other metals, deforming by multiple slip and twinning modes under a wide range of temperature, strain rate, and strain path conditions

  1. Tunneling spectroscopy on semiconductors with a low surface state density

    OpenAIRE

    Sommerhalter, Christof; Matthes, Thomas W.; Boneberg, Johannes; Leiderer, Paul; Lux-Steiner, Martha Christina

    1997-01-01

    A detailed study of tunneling spectroscopy concerning semiconductors with a low surface state density is presented. For this purpose, I V curves under dark conditions and under illumination were measured on the (0001) van der Waals surface of a p-type WS2 single crystal, which is known to be free of intrinsic surface states. The measurements are interpreted by an analytical one-dimensional metal-insulator-semiconductor model, which shows that the presence of the finite tunneling current has ...

  2. Riemann–Cartan Geometry of Nonlinear Dislocation Mechanics

    KAUST Repository

    Yavari, Arash; Goriely, Alain

    2012-01-01

    but vanishing non-metricity. Torsion of the material manifold is identified with the dislocation density tensor of nonlinear dislocation mechanics. Using Cartan's moving frames we construct the material manifold for several examples of bodies with distributed

  3. Wireless Sensor Node for Surface Seawater Density Measurements

    Directory of Open Access Journals (Sweden)

    Roberto Saletti

    2012-03-01

    Full Text Available An electronic meter to measure surface seawater density is presented. It is based on the measurement of the difference in displacements of a surface level probe and a weighted float, which according to Archimedes’ law depends on the density of the water. The displacements are simultaneously measured using a high-accuracy magnetostrictive sensor, to which a custom electronic board provides a wireless connection and power supply so that it can become part of a wireless sensor network. The electronics are designed so that different kinds of wireless networks can be used, by simply changing the wireless module and the relevant firmware of the microcontroller. Lastly, laboratory and at-sea tests are presented and discussed in order to highlight the functionality and the performance of a prototype of the wireless density meter node in a Bluetooth radio network. The experimental results show a good agreement of the values of the calculated density compared to reference hydrometer readings.

  4. Wireless sensor node for surface seawater density measurements.

    Science.gov (United States)

    Baronti, Federico; Fantechi, Gabriele; Roncella, Roberto; Saletti, Roberto

    2012-01-01

    An electronic meter to measure surface seawater density is presented. It is based on the measurement of the difference in displacements of a surface level probe and a weighted float, which according to Archimedes' law depends on the density of the water. The displacements are simultaneously measured using a high-accuracy magnetostrictive sensor, to which a custom electronic board provides a wireless connection and power supply so that it can become part of a wireless sensor network. The electronics are designed so that different kinds of wireless networks can be used, by simply changing the wireless module and the relevant firmware of the microcontroller. Lastly, laboratory and at-sea tests are presented and discussed in order to highlight the functionality and the performance of a prototype of the wireless density meter node in a Bluetooth radio network. The experimental results show a good agreement of the values of the calculated density compared to reference hydrometer readings.

  5. Improved density functional calculations for atoms, molecules and surfaces

    International Nuclear Information System (INIS)

    Fricke, B.; Anton, J.; Fritzsche, S.; Sarpe-Tudoran, C.

    2005-01-01

    The non-collinear and collinear descriptions within relativistic density functional theory is described. We present results of both non-collinear and collinear calculations for atoms, diatomic molecules, and some surface simulations. We find that the accuracy of our density functional calculations for the smaller systems is comparable to good quantum chemical calculations, and thus this method provides a sound basis for larger systems where no such comparison is possible. (author)

  6. Revealing microstructure and dislocation behavior in BAlN/AlGaN heterostructures

    KAUST Repository

    Sun, Haiding; Wu, Feng; Park, Young Jae; Al tahtamouni, T. M.; Liao, Che-Hao; Guo, Wenzhe; Alfaraj, Nasir; Li, Kuang-Hui; Anjum, Dalaver H.; Detchprohm, Theeradetch; Dupuis, Russell D.; Li, Xiaohang

    2017-01-01

    We reveal the microstructure and dislocation behavior in 20-pair B0.14Al0.86N/Al0.70Ga0.30N multiple-stack heterostructures (MSHs) exhibiting an increasing dislocation density along the c-axis, which is attributed to the continuous generation of dislocations (edge and mixed-type) within the individual B0.14Al0.86N layers. At the MSH interfaces, the threading dislocations were accompanied by a string of V-shape pits extending to the surface, leading to interface roughening and the formation of surface columnar features. Strain maps indicated an approximately 1.5% tensile strain and 1% compressive strain in the B0.14Al0.86N and Al0.70Ga0.30N layers, respectively. Twin structures were observed, and the MSH eventually changed from monocrystalline to polycrystalline.

  7. Revealing microstructure and dislocation behavior in BAlN/AlGaN heterostructures

    KAUST Repository

    Sun, Haiding

    2017-12-18

    We reveal the microstructure and dislocation behavior in 20-pair B0.14Al0.86N/Al0.70Ga0.30N multiple-stack heterostructures (MSHs) exhibiting an increasing dislocation density along the c-axis, which is attributed to the continuous generation of dislocations (edge and mixed-type) within the individual B0.14Al0.86N layers. At the MSH interfaces, the threading dislocations were accompanied by a string of V-shape pits extending to the surface, leading to interface roughening and the formation of surface columnar features. Strain maps indicated an approximately 1.5% tensile strain and 1% compressive strain in the B0.14Al0.86N and Al0.70Ga0.30N layers, respectively. Twin structures were observed, and the MSH eventually changed from monocrystalline to polycrystalline.

  8. Power Spectral Density Evaluation of Laser Milled Surfaces

    Directory of Open Access Journals (Sweden)

    Raoul-Amadeus Lorbeer

    2017-12-01

    Full Text Available Ablating surfaces with a pulsed laser system in milling processes often leads to surface changes depending on the milling depth. Especially if a constant surface roughness and evenness is essential to the process, structural degradation may advance until the process fails. The process investigated is the generation of precise thrust by laser ablation. Here, it is essential to predict or rather control the evolution of the surfaces roughness. Laser ablative milling with a short pulse laser system in vacuum (≈1 Pa were performed over depths of several 10 µm documenting the evolution of surface roughness and unevenness with a white light interference microscope. Power spectral density analysis of the generated surface data reveals a strong influence of the crystalline structure of the solid. Furthermore, it was possible to demonstrate that this effect could be suppressed for gold.

  9. Density functional theory in surface science and heterogeneous catalysis

    DEFF Research Database (Denmark)

    Nørskov, Jens Kehlet; Scheffler, M.; Toulhoat, H.

    2006-01-01

    Solid surfaces are used extensively as catalysts throughout the chemical industry, in the energy sector, and in environmental protection. Recently, density functional theory has started providing new insight into the atomic-scale mechanisms of heterogeneous catalysis, helping to interpret the large...

  10. The influence of anisotropy on the core structure of Shockley partial dislocations within FCC materials

    Science.gov (United States)

    Szajewski, B. A.; Hunter, A.; Luscher, D. J.; Beyerlein, I. J.

    2018-01-01

    Both theoretical and numerical models of dislocations often necessitate the assumption of elastic isotropy to retain analytical tractability in addition to reducing computational load. As dislocation based models evolve towards physically realistic material descriptions, the assumption of elastic isotropy becomes increasingly worthy of examination. We present an analytical dislocation model for calculating the full dissociated core structure of dislocations within anisotropic face centered cubic (FCC) crystals as a function of the degree of material elastic anisotropy, two misfit energy densities on the γ-surface ({γ }{{isf}}, {γ }{{usf}}) and the remaining elastic constants. Our solution is independent of any additional features of the γ-surface. Towards this pursuit, we first demonstrate that the dependence of the anisotropic elasticity tensor on the orientation of the dislocation line within the FCC crystalline lattice is small and may be reasonably neglected for typical materials. With this approximation, explicit analytic solutions for the anisotropic elasticity tensor {B} for both nominally edge and screw dislocations within an FCC crystalline lattice are devised, and employed towards defining a set of effective isotropic elastic constants which reproduce fully anisotropic results, however do not retain the bulk modulus. Conversely, Hill averaged elastic constants which both retain the bulk modulus and reasonably approximate the dislocation core structure are employed within subsequent numerical calculations. We examine a wide range of materials within this study, and the features of each partial dislocation core are sufficiently localized that application of discrete linear elasticity accurately describes the separation of each partial dislocation core. In addition, the local features (the partial dislocation core distribution) are well described by a Peierls-Nabarro dislocation model. We develop a model for the displacement profile which depends upon

  11. Density of oxidation-induced stacking faults in damaged silicon

    NARCIS (Netherlands)

    Kuper, F.G.; Hosson, J.Th.M. De; Verwey, J.F.

    1986-01-01

    A model for the relation between density and length of oxidation-induced stacking faults on damaged silicon surfaces is proposed, based on interactions of stacking faults with dislocations and neighboring stacking faults. The model agrees with experiments.

  12. Surface tension and density of Si-Ge melts

    Science.gov (United States)

    Ricci, Enrica; Amore, Stefano; Giuranno, Donatella; Novakovic, Rada; Tuissi, Ausonio; Sobczak, Natalia; Nowak, Rafal; Korpala, Bartłomiej; Bruzda, Grzegorz

    2014-06-01

    In this work, the surface tension and density of Si-Ge liquid alloys were determined by the pendant drop method. Over the range of measurements, both properties show a linear temperature dependence and a nonlinear concentration dependence. Indeed, the density decreases with increasing silicon content exhibiting positive deviation from ideality, while the surface tension increases and deviates negatively with respect to the ideal solution model. Taking into account the Si-Ge phase diagram, a simple lens type, the surface tension behavior of the Si-Ge liquid alloys was analyzed in the framework of the Quasi-Chemical Approximation for the Regular Solutions model. The new experimental results were compared with a few data available in the literature, obtained by the containerless method.

  13. Effects of rational surface density on resistive g turbulence

    International Nuclear Information System (INIS)

    Beklemishev, A.D.; Sugama, H.; Horton, W.

    1993-01-01

    The Beklemishev-Horton theory states that the anomalous transport coefficient is proportional to the density of rational surfaces provided that the interaction between the modes localized around different rational surfaces is weak compared with modes of the same helicity. The authors examine the effects of the density of states ρ using resistive g turbulence in 2D (single-helicity) and 3D (multi-helicity) simulations. They find that the modes with different helicities do not equipartition the available energy, but rather the coalescence or inverse cascade effect is strong so that a few low order mode rational surfaces receive most of the energy. The quasilinear flattening at the surfaces is a strong effect and they use bifurcation theory to derive that the effective diffusivity increases as χ eff = χ 0 ρ/(1 - Cρ) where C is a constant determined by interaction integrals. For a sufficiently high density of states Cρ ≤ 1, the higher order nonlinear interaction must be taken into account

  14. Surface determinants of low density lipoprotein uptake by endothelial cells

    International Nuclear Information System (INIS)

    Goeroeg, P.; Pearson, J.D.

    1984-01-01

    The surface sialic acid content of aortic endothelial cells in vitro was substantially lower in sparse cultures than at confluence. Binding of LDL to endothelial cells did not change at different culture densities and was unaffected by brief pretreatment with neuraminidase to partially remove surface sialic acid residues. In contrast, internalisation of LDL declined by a factor of 3 between low density cell cultures and confluent monolayers; neuraminidase pretreatment increased LDL uptake and the effect was most marked (>10-fold) at confluence. Pretreatment with cationised ferritin, which removed most of the surface sialic acid residues as well as glycosaminoglycans, increased LDL internalisation by up to 20-fold, again with most effect on confluent monolayers. Thus LDL uptake is inversely correlated with sialic acid content. We conclude that changes in the surface density of sialic acid (and possibly other charged) residues significantly modulate endothelial LDL uptake, and suggest that focal increases in LDL accumulation during atherogenesis may be related to alterations in endothelial endocytic properties at sites of increased cell turnover or damage. (author)

  15. Ultralow energy ion beam surface modification of low density polyethylene.

    Science.gov (United States)

    Shenton, Martyn J; Bradley, James W; van den Berg, Jaap A; Armour, David G; Stevens, Gary C

    2005-12-01

    Ultralow energy Ar+ and O+ ion beam irradiation of low density polyethylene has been carried out under controlled dose and monoenergetic conditions. XPS of Ar+-treated surfaces exposed to ambient atmosphere show that the bombardment of 50 eV Ar+ ions at a total dose of 10(16) cm(-2) gives rise to very reactive surfaces with oxygen incorporation at about 50% of the species present in the upper surface layer. Using pure O+ beam irradiation, comparatively low O incorporation is achieved without exposure to atmosphere (approximately 13% O in the upper surface). However, if the surface is activated by Ar+ pretreatment, then large oxygen contents can be achieved under subsequent O+ irradiation (up to 48% O). The results show that for very low energy (20 eV) oxygen ions there is a dose threshold of about 5 x 10(15) cm(-2) before surface oxygen incorporation is observed. It appears that, for both Ar+ and O+ ions in this regime, the degree of surface modification is only very weakly dependent on the ion energy. The results suggest that in the nonequilibrium plasma treatment of polymers, where the ion flux is typically 10(18) m(-2) s(-1), low energy ions (<50 eV) may be responsible for surface chemical modification.

  16. Low density lipoprotein sensor based on surface plasmon resonance

    International Nuclear Information System (INIS)

    Matharu, Zimple; Sumana, G.; Pandey, M.K.; Gupta, Vinay; Malhotra, B.D.

    2009-01-01

    Biotinylated heparin has been immobilized onto self-assembled monolayer of 4-aminothiophenol using avidin-biotin specific binding. The modified electrodes have been characterized using surface plasmon resonance technique (SPR), cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), atomic force microscopy (AFM) and contact angle (CA) measurements. The interaction of immobilized biotinylated heparin with low density lipoprotein (LDL) has been studied using surface plasmon resonance technique. The biotinylated heparin modified electrode can be used to detect LDL in the range of 20 to 100 mg/dl with the sensitivity of 513.3 m o /μM.

  17. Low density lipoprotein sensor based on surface plasmon resonance

    Energy Technology Data Exchange (ETDEWEB)

    Matharu, Zimple [Department of Science and Technology Centre on Biomolecular Electronics, National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi-110012 (India); Department of Physics and Astrophysics, University of Delhi, New Delhi-110007 (India); Sumana, G.; Pandey, M.K. [Department of Science and Technology Centre on Biomolecular Electronics, National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi-110012 (India); Gupta, Vinay [Department of Physics and Astrophysics, University of Delhi, New Delhi-110007 (India); Malhotra, B.D., E-mail: bansi.malhotra@gmail.co [Department of Science and Technology Centre on Biomolecular Electronics, National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi-110012 (India)

    2009-11-30

    Biotinylated heparin has been immobilized onto self-assembled monolayer of 4-aminothiophenol using avidin-biotin specific binding. The modified electrodes have been characterized using surface plasmon resonance technique (SPR), cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), atomic force microscopy (AFM) and contact angle (CA) measurements. The interaction of immobilized biotinylated heparin with low density lipoprotein (LDL) has been studied using surface plasmon resonance technique. The biotinylated heparin modified electrode can be used to detect LDL in the range of 20 to 100 mg/dl with the sensitivity of 513.3 m{sup o}/{mu}M.

  18. Surface interactions involved in flashover with high density electronegative gases.

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-01-01

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

  19. SURFACE SYMMETRY ENERGY OF NUCLEAR ENERGY DENSITY FUNCTIONALS

    Energy Technology Data Exchange (ETDEWEB)

    Nikolov, N; Schunck, N; Nazarewicz, W; Bender, M; Pei, J

    2010-12-20

    We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the role of the surface symmetry energy in nuclei. To this end, we validate the commonly used functional parametrizations against the data on excitation energies of superdeformed band-heads in Hg and Pb isotopes, and fission isomers in actinide nuclei. After subtracting shell effects, the results of our self-consistent calculations are consistent with macroscopic arguments and indicate that experimental data on strongly deformed configurations in neutron-rich nuclei are essential for optimizing future nuclear energy density functionals. The resulting survey provides a useful benchmark for further theoretical improvements. Unlike in nuclei close to the stability valley, whose macroscopic deformability hangs on the balance of surface and Coulomb terms, the deformability of neutron-rich nuclei strongly depends on the surface-symmetry energy; hence, its proper determination is crucial for the stability of deformed phases of the neutron-rich matter and description of fission rates for r-process nucleosynthesis.

  20. Effect of dislocations on the open-circuit voltage, short-circuit current and efficiency of heteroepitaxial indium phosphide solar cells

    Science.gov (United States)

    Jain, Raj K.; Flood, Dennis J.

    1990-01-01

    Excellent radiation resistance of indium phosphide solar cells makes them a promising candidate for space power applications, but the present high cost of starting substrates may inhibit their large scale use. Thin film indium phosphide cells grown on Si or GaAs substrates have exhibited low efficiencies, because of the generation and propagation of large number of dislocations. Dislocation densities were calculated and its influence on the open circuit voltage, short circuit current, and efficiency of heteroepitaxial indium phosphide cells was studied using the PC-1D. Dislocations act as predominant recombination centers and are required to be controlled by proper transition layers and improved growth techniques. It is shown that heteroepitaxial grown cells could achieve efficiencies in excess of 18 percent AMO by controlling the number of dislocations. The effect of emitter thickness and surface recombination velocity on the cell performance parameters vs. dislocation density is also studied.

  1. Experimental surface charge density of the Si (100)-2x1H surface

    DEFF Research Database (Denmark)

    Ciston, J.; Marks, L.D.; Feidenhans'l, R.

    2006-01-01

    We report a three-dimensional charge density refinement from x-ray diffraction intensities of the Si (100) 2x1H surface. By paying careful attention to parameterizing the bulk Si bonding, we are able to locate the hydrogen atoms at the surface, which could not be done previously. In addition, we...

  2. Dislocation dynamics of web type silicon ribbon

    Energy Technology Data Exchange (ETDEWEB)

    Dillon, Jr, O W; Tsai, C T; DeAngelis, R J

    1987-03-01

    Silicon ribbon grown by the dendritic web process passes through a rapidly changing thermal profile in the growth direction. This rapidly changing profile induces stresses which produce changes in the dislocation density in the ribbon. A viscoplastic material response function (Haasen-Sumino model) is used herein to calculate the stresses and the dislocation density at each point in the silicon ribbon. The residual stresses are also calculated.

  3. High-Density Infrared Surface Treatments of Refractories

    Energy Technology Data Exchange (ETDEWEB)

    Tiegs, T.N.

    2005-03-31

    Refractory materials play a crucial role in all energy-intensive industries and are truly a crosscutting technology for the Industries of the Future (IOF). One of the major mechanisms for the degradation of refractories and a general decrease in their performance has been the penetration and corrosion by molten metals or glass. Methods and materials that would reduce the penetration, wetting, and corrosive chemistry would significantly improve refractory performance and also maintain the quality of the processed liquid, be it metal or glass. This report presents the results of an R&D project aimed at investigating the use of high-density infrared (HDI) heating to surface treat refractories to improve their performance. The project was a joint effort between Oak Ridge National Laboratory (ORNL) and the University of Missouri-Rolla (UMR). HDI is capable of heating the near-surface region of materials to very high temperatures where sintering, diffusion, and melting can occur. The intended benefits of HDI processing of refractories were to (1) reduce surface porosity (by essentially sealing the surface to prevent liquid penetration), (2) allow surface chemistry changes to be performed by bonding an adherent coating onto the underlying refractory (in order to inhibit wetting and/or improve corrosion resistance), and (3) produce noncontact refractories with high-emissivity surface coatings.

  4. Power Spectral Density Specification and Analysis of Large Optical Surfaces

    Science.gov (United States)

    Sidick, Erkin

    2009-01-01

    The 2-dimensional Power Spectral Density (PSD) can be used to characterize the mid- and the high-spatial frequency components of the surface height errors of an optical surface. We found it necessary to have a complete, easy-to-use approach for specifying and evaluating the PSD characteristics of large optical surfaces, an approach that allows one to specify the surface quality of a large optical surface based on simulated results using a PSD function and to evaluate the measured surface profile data of the same optic in comparison with those predicted by the simulations during the specification-derivation process. This paper provides a complete mathematical description of PSD error, and proposes a new approach in which a 2-dimentional (2D) PSD is converted into a 1-dimentional (1D) one by azimuthally averaging the 2D-PSD. The 1D-PSD calculated this way has the same unit and the same profile as the original PSD function, thus allows one to compare the two with each other directly.

  5. Simultaneous solution of the geoid and the surface density anomalies

    Science.gov (United States)

    Ardalan, A. A.; Safari, A.; Karimi, R.; AllahTavakoli, Y.

    2012-04-01

    The main application of the land gravity data in geodesy is "local geoid" or "local gravity field" modeling, whereas the same data could play a vital role for the anomalous mass-density modeling in geophysical explorations. In the realm of local geoid computations based on Geodetic Boundary Value Problems (GBVP), it is needed that the effect of the topographic (or residual terrain) masses be removed via application of the Newton integral in order to perform the downward continuation in a harmonic space. However, harmonization of the downward continuation domain may not be perfectly possible unless accurate information about the mass-density of the topographic masses be available. On the other hand, from the exploration point of view the unwanted topographical masses within the aforementioned procedure could be regarded as the signal. In order to overcome the effect of the remaining masses within the remove step of the GBVP, which cause uncertainties in mathematical modeling of the problem, here we are proposing a methodology for simultaneous solution of the geoid and residual surface density modeling In other words, a new mathematical model will be offered which both provides the needed harmonic space for downward continuation and at the same time accounts for the non-harmonic terms of gravitational field and makes use of it for residual mass density modeling within the topographic region. The presented new model enjoys from uniqueness of the solution, opposite to the inverse application of the Newton integral for mass density modeling which is non-unique, and only needs regularization to remove its instability problem. In this way, the solution of the model provides both the incremental harmonic gravitational potential on surface of the reference ellipsoid as the gravity field model and the lateral surface mass-density variations via the second derivatives of the non harmonic terms of gravitational field. As the case study and accuracy verification, the proposed

  6. Electron Density in Atmospheric Pressure Microwave Surface Wave Discharges

    International Nuclear Information System (INIS)

    Jasinski, M.; Zakrzewski, Z.; Mizeraczyk, J.

    2008-01-01

    In this paper, we present results of the spectroscopic measurements of the electron density in a microwave surface wave sustained discharges in Ar and Ne at atmospheric pressure. The discharge in the form of a plasma column was generated inside a quartz tube cooled with a dielectric liquid. The microwave power delivered to the discharge via rectangular waveguide was applied in the range of 200-1500 W. In all investigations presented in this paper, the gas flow rate was relatively low (0.5 l/min), so the plasma column was generated in the form of a single filament, and the lengths of the upstream and downstream plasma columns were almost the same. The electron density in the plasma columns was determined using the method based on the Stark broadening of H β spectral line, including plasma region inside the waveguide which was not investigated earlier

  7. Improving Frozen Precipitation Density Estimation in Land Surface Modeling

    Science.gov (United States)

    Sparrow, K.; Fall, G. M.

    2017-12-01

    The Office of Water Prediction (OWP) produces high-value water supply and flood risk planning information through the use of operational land surface modeling. Improvements in diagnosing frozen precipitation density will benefit the NWS's meteorological and hydrological services by refining estimates of a significant and vital input into land surface models. A current common practice for handling the density of snow accumulation in a land surface model is to use a standard 10:1 snow-to-liquid-equivalent ratio (SLR). Our research findings suggest the possibility of a more skillful approach for assessing the spatial variability of precipitation density. We developed a 30-year SLR climatology for the coterminous US from version 3.22 of the Daily Global Historical Climatology Network - Daily (GHCN-D) dataset. Our methods followed the approach described by Baxter (2005) to estimate mean climatological SLR values at GHCN-D sites in the US, Canada, and Mexico for the years 1986-2015. In addition to the Baxter criteria, the following refinements were made: tests were performed to eliminate SLR outliers and frequent reports of SLR = 10, a linear SLR vs. elevation trend was fitted to station SLR mean values to remove the elevation trend from the data, and detrended SLR residuals were interpolated using ordinary kriging with a spherical semivariogram model. The elevation values of each station were based on the GMTED 2010 digital elevation model and the elevation trend in the data was established via linear least squares approximation. The ordinary kriging procedure was used to interpolate the data into gridded climatological SLR estimates for each calendar month at a 0.125 degree resolution. To assess the skill of this climatology, we compared estimates from our SLR climatology with observations from the GHCN-D dataset to consider the potential use of this climatology as a first guess of frozen precipitation density in an operational land surface model. The difference in

  8. K-correlation power spectral density and surface scatter model

    Science.gov (United States)

    Dittman, Michael G.

    2006-08-01

    The K-Correlation or ABC model for surface power spectral density (PSD) and BRDF has been around for years. Eugene Church and John Stover, in particular, have published descriptions of its use in describing smooth surfaces. The model has, however, remained underused in the optical analysis community partially due to the lack of a clear summary tailored toward that application. This paper provides the K-Correlation PSD normalized to σ(λ) and BRDF normalized to TIS(σ,λ) in a format intended to be used by stray light analysts. It is hoped that this paper will promote use of the model by analysts and its incorporation as a standard tool into stray light modeling software.

  9. Statistics of dislocation pinning at localized obstacles

    Energy Technology Data Exchange (ETDEWEB)

    Dutta, A. [S. N. Bose National Centre for Basic Sciences, Salt Lake, Kolkata 700098 (India); Bhattacharya, M., E-mail: mishreyee@vecc.gov.in; Barat, P. [Variable Energy Cyclotron Centre, 1/AF Bidhannagar, Kolkata 700064 (India)

    2014-10-14

    Pinning of dislocations at nanosized obstacles like precipitates, voids, and bubbles is a crucial mechanism in the context of phenomena like hardening and creep. The interaction between such an obstacle and a dislocation is often studied at fundamental level by means of analytical tools, atomistic simulations, and finite element methods. Nevertheless, the information extracted from such studies cannot be utilized to its maximum extent on account of insufficient information about the underlying statistics of this process comprising a large number of dislocations and obstacles in a system. Here, we propose a new statistical approach, where the statistics of pinning of dislocations by idealized spherical obstacles is explored by taking into account the generalized size-distribution of the obstacles along with the dislocation density within a three-dimensional framework. Starting with a minimal set of material parameters, the framework employs the method of geometrical statistics with a few simple assumptions compatible with the real physical scenario. The application of this approach, in combination with the knowledge of fundamental dislocation-obstacle interactions, has successfully been demonstrated for dislocation pinning at nanovoids in neutron irradiated type 316-stainless steel in regard to the non-conservative motion of dislocations. An interesting phenomenon of transition from rare pinning to multiple pinning regimes with increasing irradiation temperature is revealed.

  10. Interfacial Tension and Surface Pressure of High Density Lipoprotein, Low Density Lipoprotein, and Related Lipid Droplets

    DEFF Research Database (Denmark)

    Ollila, O. H. S.; Lamberg, A.; Lehtivaara, M.

    2012-01-01

    ) are essentially lipid droplets surrounded by specific proteins, their main function being to transport cholesterol. Interfacial tension and surface pressure of these particles are of great interest because they are related to the shape and the stability of the droplets and to protein adsorption at the interface....... Here we use coarse-grained molecular-dynamics simulations to consider a number of related issues by calculating the interfacial tension in protein-free lipid droplets, and in HDL and LDL particles mimicking physiological conditions. First, our results suggest that the curvature dependence......Lipid droplets play a central role in energy storage and metabolism on a cellular scale. Their core is comprised of hydrophobic lipids covered by a surface region consisting of amphiphilic lipids and proteins. For example, high and low density lipoproteins (HDL and LDL, respectively...

  11. Generalized dynamics of moving dislocations in quasicrystals

    International Nuclear Information System (INIS)

    Agiasofitou, Eleni; Lazar, Markus; Kirchner, Helmut

    2010-01-01

    A theoretical framework for dislocation dynamics in quasicrystals is provided according to the continuum theory of dislocations. Firstly, we present the fundamental theory for moving dislocations in quasicrystals giving the dislocation density tensors and introducing the dislocation current tensors for the phonon and phason fields, including the Bianchi identities. Next, we give the equations of motion for the incompatible elastodynamics as well as for the incompatible elasto-hydrodynamics of quasicrystals. We continue with the derivation of the balance law of pseudomomentum thereby obtaining the generalized forms of the Eshelby stress tensor, the pseudomomentum vector, the dynamical Peach-Koehler force density and the Cherepanov force density for quasicrystals. The form of the dynamical Peach-Koehler force for a straight dislocation is obtained as well. Moreover, we deduce the balance law of energy that gives rise to the generalized forms of the field intensity vector and the elastic power density of quasicrystals. The above balance laws are produced for both models. The differences between the two models and their consequences are revealed. The influences of the phason fields as well as of the dynamical terms are also discussed.

  12. A comparison of UV surface brightness and HI surface densities for spiral galaxies

    International Nuclear Information System (INIS)

    Federman, S.R.; Strom, C.

    1990-01-01

    Shaya and Federman (1987) suggested that the ambient ultraviolet flux at 1000 A permeating a spiral galaxy controls the neutral hydrogen (HI) surface density in the galaxy. They found that the atomic envelopes surrounding small molecular clouds, because of their great number, provide the major contribution to the HI surface density over the stellar disk. The increase in HI surface density with later Hubble types was ascribed to the stronger UV fields from more high-mass stars in later Hubble types. These hypotheses are based on the observations of nearby diffuse interstellar clouds, which show a sharp atomic-to-molecular transition (Savage et al. 1977), and on the theoretical framework introduced by Federman, Glassgold, and Kwan (1979). Atomic envelopes around interstellar clouds in the solar neighborhood arise when a steady state is reached between photodissociation of H2 and the formation of H2 on grains. The photodissociation process involves photons with wavelengths between 912 A and 1108 A. Shaya and Federman used H-alpha flux as an approximate measure for the far UV flux and made their comparisons based on averages over Hubble type. Here, researchers compare, on an individual basis, UV data obtained with space-borne and balloon-borne instruments for galaxies with measurements of HI surface density (Warmels 1988a, b). The comparisons substantiate the conclusion of Shaya and Federman that the far UV field controls the HI content of spiral galaxies

  13. Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy

    DEFF Research Database (Denmark)

    Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

    2016-01-01

    Local surface charge density of lipid membranes influences membrane-protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far...

  14. Stratified turbulent Bunsen flames : flame surface analysis and flame surface density modelling

    NARCIS (Netherlands)

    Ramaekers, W.J.S.; Oijen, van J.A.; Goey, de L.P.H.

    2012-01-01

    In this paper it is investigated whether the Flame Surface Density (FSD) model, developed for turbulent premixed combustion, is also applicable to stratified flames. Direct Numerical Simulations (DNS) of turbulent stratified Bunsen flames have been carried out, using the Flamelet Generated Manifold

  15. Steps and dislocations in cubic lyotropic crystals

    International Nuclear Information System (INIS)

    Leroy, S; Pieranski, P

    2006-01-01

    It has been shown recently that lyotropic systems are convenient for studies of faceting, growth or anisotropic surface melting of crystals. All these phenomena imply the active contribution of surface steps and bulk dislocations. We show here that steps can be observed in situ and in real time by means of a new method combining hygroscopy with phase contrast. First results raise interesting issues about the consequences of bicontinuous topology on the structure and dynamical behaviour of steps and dislocations

  16. Hydrogen diffusion in the elastic fields of dislocations in iron

    Energy Technology Data Exchange (ETDEWEB)

    Sivak, A. B., E-mail: Sivak-AB@nrcki.ru; Sivak, P. A. [National Research Centre Kurchatov Institute (Russian Federation); Romanov, V. A.; Chernov, V. M. [National Research Tomsk State University (Russian Federation)

    2016-12-15

    The effect of dislocation stress fields on the sink efficiency thereof is studied for hydrogen interstitial atoms at temperatures of 293 and 600 K and at a dislocation density of 3 × 10{sup 14} m{sup –2} in bcc iron crystal. Rectilinear full screw and edge dislocations in basic slip systems 〈111〉(110), 〈111〉(112), 〈100〉(100), and 〈100〉(110) are considered. Diffusion of defects is simulated by means of the object kinetic Monte Carlo method. The energy of interaction between defects and dislocations is calculated using the anisotropic theory of elasticity. The elastic fields of dislocations result in a less than 25% change of the sink efficiency as compared to the noninteracting linear sink efficiency at a room temperature. The elastic fields of edge dislocations increase the dislocation sink efficiency, whereas the elastic fields of screw dislocations either decrease this parameter (in the case of dislocations with the Burgers vector being 1/2〈111〉) or do not affect it (in the case of dislocations with the Burgers vector being 〈100〉). At temperatures above 600 K, the dislocations affect the behavior of hydrogen in bcc iron mainly owing to a high binding energy between the hydrogen atom and dislocation cores.

  17. Recombination properties of dislocations in GaN

    Science.gov (United States)

    Yakimov, Eugene B.; Polyakov, Alexander Y.; Lee, In-Hwan; Pearton, Stephen J.

    2018-04-01

    The recombination activity of threading dislocations in n-GaN with different dislocation densities and different doping levels was studied using electron beam induced current (EBIC). The recombination velocity on a dislocation, also known as the dislocation recombination strength, was calculated. The results suggest that dislocations in n-GaN giving contrast in EBIC are charged and surrounded by a space charge region, as evidenced by the observed dependence of dislocation recombination strength on dopant concentration. For moderate (below ˜108 cm-2) dislocation densities, these defects do not primarily determine the average diffusion length of nonequilibrium charge carriers, although locally, dislocations are efficient recombination sites. In general, it is observed that the effect of the growth method [standard metalorganic chemical vapor deposition (MOCVD), epitaxial lateral overgrowth versions of MOCVD, and hydride vapor phase epitaxy] on the recombination activity of dislocations is not very pronounced, although the average diffusion lengths can widely differ for various samples. The glide of basal plane dislocations at room temperature promoted by low energy electron irradiation does not significantly change the recombination properties of dislocations.

  18. Dislocation-dynamics method

    International Nuclear Information System (INIS)

    Van Brutzel, L.

    2015-01-01

    Dislocation-Dynamics (DD) technique is identified as the method able to model the evolution of material plastic properties as a function of the microstructural transformation predicted at the atomic scale. Indeed, it is the only simulation method capable of taking into account the collective behaviour of a large number of dislocations inside a realistic microstructure. DD simulations are based on the elastic dislocation theory following rules inherent to the dislocation core structure often call 'local rules'. All the data necessary to establish the local rules for DD have to come directly from experiment or alternatively from simulations carried out at the atomic scale such as molecular dynamics or ab initio calculations. However, no precise information on the interaction between two dislocations or between dislocations and defects induced by irradiation are available for nuclear fuels. Therefore, in this article the DD technique will be presented and some examples are given of what can be achieved with it. (author)

  19. Zinc surface complexes on birnessite: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Kideok D.; Refson, Keith; Sposito, Garrison

    2009-01-05

    Biogeochemical cycling of zinc is strongly influenced by sorption on birnessite minerals (layer-type MnO2), which are found in diverse terrestrial and aquatic environments. Zinc has been observed to form both tetrahedral (Zn{sup IV}) and octahedral (Zn{sup VI}) triple-corner-sharing surface complexes (TCS) at Mn(IV) vacancy sites in hexagonal birnessite. The octahedral complex is expected to be similar to that of Zn in the Mn oxide mineral, chalcophanite (ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O), but the reason for the occurrence of the four-coordinate Zn surface species remains unclear. We address this issue computationally using spin-polarized Density Functional Theory (DFT) to examine the Zn{sub IV}-TCS and Zn{sup VI}-TCS species. Structural parameters obtained by DFT geometry optimization were in excellent agreement with available experimental data on Zn-birnessites. Total energy, magnetic moments, and electron-overlap populations obtained by DFT for isolated Zn{sup IV}-TCS revealed that this species is stable in birnessite without a need for Mn(III) substitution in the octahedral sheet and that it is more effective in reducing undersaturation of surface O at a Mn vacancy than is Zn{sub VI}-TCS. Comparison between geometry-optimized ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O (chalcophanite) and the hypothetical monohydrate mineral, ZnMn{sub 3}O{sub 7} {center_dot} H{sub 2}O, which contains only tetrahedral Zn, showed that the hydration state of Zn significantly affects birnessite structural stability. Finally, our study also revealed that, relative to their positions in an ideal vacancy-free MnO{sub 2}, Mn nearest to Zn in a TCS surface complex move toward the vacancy by 0.08-0.11 {angstrom}, while surface O bordering the vacancy move away from it by 0.16-0.21 {angstrom}, in agreement with recent X-ray absorption spectroscopic analyses.

  20. A Snow Density Dataset for Improving Surface Boundary Conditions in Greenland Ice Sheet Firn Modeling

    DEFF Research Database (Denmark)

    S. Fausto, Robert; E. Box, Jason; Vandecrux, Baptiste Robert Marcel

    2018-01-01

    The surface snow density of glaciers and ice sheets is of fundamental importance in converting volume to mass in both altimetry and surface mass balance studies, yet it is often poorly constrained. Site-specific surface snow densities are typically derived from empirical relations based...... on temperature and wind speed. These parameterizations commonly calculate the average density of the top meter of snow, thereby systematically overestimating snow density at the actual surface. Therefore, constraining surface snow density to the top 0.1 m can improve boundary conditions in high-resolution firn......-evolution modeling. We have compiled an extensive dataset of 200 point measurements of surface snow density from firn cores and snow pits on the Greenland ice sheet. We find that surface snow density within 0.1 m of the surface has an average value of 315 kg m−3 with a standard deviation of 44 kg m−3, and has...

  1. Primary traumatic patellar dislocation

    Directory of Open Access Journals (Sweden)

    Tsai Chun-Hao

    2012-06-01

    Full Text Available Abstract Acute traumatic patellar dislocation is a common injury in the active and young adult populations. MRI of the knee is recommended in all patients who present with acute patellar dislocation. Numerous operative and non-operative methods have been described to treat the injuries; however, the ideal management of the acute traumatic patellar dislocation in young adults is still in debate. This article is intended to review the studies to the subjects of epidemiology, initial examination and management.

  2. Nitride surface passivation of GaAs nanowires: impact on surface state density.

    Science.gov (United States)

    Alekseev, Prokhor A; Dunaevskiy, Mikhail S; Ulin, Vladimir P; Lvova, Tatiana V; Filatov, Dmitriy O; Nezhdanov, Alexey V; Mashin, Aleksander I; Berkovits, Vladimir L

    2015-01-14

    Surface nitridation by hydrazine-sulfide solution, which is known to produce surface passivation of GaAs crystals, was applied to GaAs nanowires (NWs). We studied the effect of nitridation on conductivity and microphotoluminescence (μ-PL) of individual GaAs NWs using conductive atomic force microscopy (CAFM) and confocal luminescent microscopy (CLM), respectively. Nitridation is found to produce an essential increase in the NW conductivity and the μ-PL intensity as well evidence of surface passivation. Estimations show that the nitride passivation reduces the surface state density by a factor of 6, which is of the same order as that found for GaAs/AlGaAs nanowires. The effects of the nitride passivation are also stable under atmospheric ambient conditions for six months.

  3. Hydrophilic/hydrophobic surface modification impact on colloid lithography: Schottky-like defects, dislocation, and ideal distribution

    Science.gov (United States)

    Burtsev, Vasilii; Marchuk, Valentina; Kugaevskiy, Artem; Guselnikova, Olga; Elashnikov, Roman; Miliutina, Elena; Postnikov, Pavel; Svorcik, Vaclav; Lyutakov, Oleksiy

    2018-03-01

    Nano-spheres lithography is actually considered as a powerful tool to manufacture various periodic structures with a wide potential in the field of nano- and micro-fabrication. However, during self-assembling of colloid microspheres, various defects and mismatches can appear. In this work the size and quality of single-domains of closed-packed polystyrene (PS), grown up on thin Au layers modified by hydrophilic or hydrophobic functional groups via diazonium chemistry was studied. The effects of the surface modification on the quality and single-domain size of polystyrene (PS) microspheres array were investigated and discussed. Modified surfaces were characterized using the AFM and wettability tests. PS colloidal suspension was deposited using the drop evaporation method. Resulted PS microspheres array was characterized using the SEM, AFM and confocal microscopy technique.

  4. Excitation of high density surface plasmon polariton vortex array

    Science.gov (United States)

    Kuo, Chun-Fu; Chu, Shu-Chun

    2018-06-01

    This study proposes a method to excite surface plasmon polariton (SPP) vortex array of high spatial density on metal/air interface. A doughnut vector beam was incident at four rectangularly arranged slits to excite SPP vortex array. The doughnut vector beam used in this study has the same field intensity distribution as the regular doughnut laser mode, TEM01* mode, but a different polarization distribution. The SPP vortex array is achieved through the matching of both polarization state and phase state of the incident doughnut vector beam with the four slits. The SPP field distribution excited in this study contains stable array-distributed time-varying optical vortices. Theoretical derivation, analytical calculation and numerical simulation were used to discuss the characteristics of the induced SPP vortex array. The period of the SPP vortex array induced by the proposed method had only half SPPs wavelength. In addition, the vortex number in an excited SPP vortex array can be increased by enlarging the structure.

  5. Interaction of 〈1 0 0〉 dislocation loops with dislocations studied by dislocation dynamics in α-iron

    Energy Technology Data Exchange (ETDEWEB)

    Shi, X.J.; Dupuy, L. [CEA, DEN, SRMA, F-91191 Gif-sur-Yvette (France); Devincre, B. [Laboratoire d’Etude des Microstructures, CNRS-ONERA, 29 av. de la Division Leclerc, 92322 Châtillon Cedex (France); Terentyev, D. [SCK–CEN, Nuclear Materials Science Institute, Boeretang 200, B-2400 Mol (Belgium); Vincent, L. [CEA, DEN, SRMA, F-91191 Gif-sur-Yvette (France)

    2015-05-15

    Highlights: • Interactions between edge dislocations and radiation-induced loops were studied by dislocation dynamics. • Dislocation dynamics results are directly compared to molecular dynamics results. • The complex elementary reactions are successfully reproduced. • The critical shear stress to overcome individual loops if reproduced quantitatively. - Abstract: Interstitial dislocation loops with Burgers vector of 〈1 0 0〉 type are formed in α-iron under neutron or heavy ion irradiation. As the density and size of these loops increase with radiation dose and temperature, these defects are thought to play a key role in hardening and subsequent embrittlement of iron-based steels. The aim of the present work is to study the pinning strength of the loops on mobile dislocations. Prior to run massive Dislocation Dynamics (DD) simulations involving experimentally representative array of radiation defects and dislocations, the DD code and its parameterization are validated by comparing the individual loop–dislocation reactions with those obtained from direct atomistic Molecular Dynamics (MD) simulations. Several loop–dislocation reaction mechanisms are successfully reproduced as well as the values of the unpinning stress to detach mobile dislocations from the defects.

  6. Modeling of dislocation dynamics in germanium Czochralski growth

    Science.gov (United States)

    Artemyev, V. V.; Smirnov, A. D.; Kalaev, V. V.; Mamedov, V. M.; Sidko, A. P.; Podkopaev, O. I.; Kravtsova, E. D.; Shimansky, A. F.

    2017-06-01

    Obtaining very high-purity germanium crystals with low dislocation density is a practically difficult problem, which requires knowledge and experience in growth processes. Dislocation density is one of the most important parameters defining the quality of germanium crystal. In this paper, we have performed experimental study of dislocation density during 4-in. germanium crystal growth using the Czochralski method and comprehensive unsteady modeling of the same crystal growth processes, taking into account global heat transfer, melt flow and melt/crystal interface shape evolution. Thermal stresses in the crystal and their relaxation with generation of dislocations within the Alexander-Haasen model have been calculated simultaneously with crystallization dynamics. Comparison to experimental data showed reasonable agreement for the temperature, interface shape and dislocation density in the crystal between calculation and experiment.

  7. A Snow Density Dataset for Improving Surface Boundary Conditions in Greenland Ice Sheet Firn Modeling

    Directory of Open Access Journals (Sweden)

    Robert S. Fausto

    2018-05-01

    Full Text Available The surface snow density of glaciers and ice sheets is of fundamental importance in converting volume to mass in both altimetry and surface mass balance studies, yet it is often poorly constrained. Site-specific surface snow densities are typically derived from empirical relations based on temperature and wind speed. These parameterizations commonly calculate the average density of the top meter of snow, thereby systematically overestimating snow density at the actual surface. Therefore, constraining surface snow density to the top 0.1 m can improve boundary conditions in high-resolution firn-evolution modeling. We have compiled an extensive dataset of 200 point measurements of surface snow density from firn cores and snow pits on the Greenland ice sheet. We find that surface snow density within 0.1 m of the surface has an average value of 315 kg m−3 with a standard deviation of 44 kg m−3, and has an insignificant annual air temperature dependency. We demonstrate that two widely-used surface snow density parameterizations dependent on temperature systematically overestimate surface snow density over the Greenland ice sheet by 17–19%, and that using a constant density of 315 kg m−3 may give superior results when applied in surface mass budget modeling.

  8. MEASURING PROTOPLANETARY DISK GAS SURFACE DENSITY PROFILES WITH ALMA

    Energy Technology Data Exchange (ETDEWEB)

    Williams, Jonathan P.; McPartland, Conor, E-mail: jpw@ifa.hawaii.edu [Institute for Astronomy, University of Hawaii at Manoa, Honolulu, HI 96822 (United States)

    2016-10-10

    The gas and dust are spatially segregated in protoplanetary disks due to the vertical settling and radial drift of large grains. A fuller accounting of the mass content and distribution in disks therefore requires spectral line observations. We extend the modeling approach presented in Williams and Best to show that gas surface density profiles can be measured from high fidelity {sup 13}CO integrated intensity images. We demonstrate the methodology by fitting ALMA observations of the HD 163296 disk to determine a gas mass, M {sub gas} = 0.048 M {sub ⊙}, and accretion disk characteristic size R {sub c} = 213 au and gradient γ = 0.39. The same parameters match the C{sup 18}O 2–1 image and indicate an abundance ratio [{sup 12}CO]/[C{sup 18}O] of 700 independent of radius. To test how well this methodology can be applied to future line surveys of smaller, lower mass T Tauri disks, we create a large {sup 13}CO 2–1 image library and fit simulated data. For disks with gas masses 3–10 M {sub Jup} at 150 pc, ALMA observations with a resolution of 0.″2–0.″3 and integration times of ∼20 minutes allow reliable estimates of R {sub c} to within about 10 au and γ to within about 0.2. Economic gas imaging surveys are therefore feasible and offer the opportunity to open up a new dimension for studying disk structure and its evolution toward planet formation.

  9. SURFACE DENSITY EFFECTS IN QUENCHING: CAUSE OR EFFECT?

    Energy Technology Data Exchange (ETDEWEB)

    Lilly, Simon J.; Carollo, C. Marcella [Institute for Astronomy, Department of Physics, ETH Zurich, 8093 Zurich (Switzerland)

    2016-12-10

    There are very strong observed correlations between the specific star formation rates (sSFRs) of galaxies and their mean surface mass densities, Σ, as well as other aspects of their internal structure. These strong correlations have often been taken to argue that the internal structure of a galaxy must play a major physical role, directly or indirectly, in the control of star formation. In this paper we show by means of a very simple toy model that these correlations can arise naturally without any such physical role once the observed evolution of the size–mass relation for star-forming galaxies is taken into account. In particular, the model reproduces the sharp threshold in Σ between galaxies that are star-forming and those that are quenched and the evolution of this threshold with redshift. Similarly, it produces iso-quenched-fraction contours in the f {sub Q}( m , R {sub e}) plane that are almost exactly parallel to lines of constant Σ for centrals and shallower for satellites. It does so without any dependence on quenching on size or Σ and without invoking any differences between centrals and satellites, beyond the different mass dependences of their quenching laws. The toy model also reproduces several other observations, including the sSFR gradients within galaxies and the appearance of inside-out build-up of passive galaxies. Finally, it is shown that curvature in the main-sequence sSFR–mass relation can produce curvature in the apparent B / T ratios with mass. Our analysis therefore suggests that many of the strong correlations that are observed between galaxy structure and sSFR may well be a consequence of things unrelated to quenching and should not be taken as evidence of the physical processes that drive quenching.

  10. Local density approach to surfaces and adsorbed layers

    International Nuclear Information System (INIS)

    Wimmer, E.; Freeman, A.J.; Weinert, M.

    1986-01-01

    The authors show that the local density problem for the thin film geometry can be solved with high accuracy by employing the all-electron full-potential linearized augmented-plane-wave method. This is achieved by removing all shape approximations in the charge density and the potential and by using a highly flexible variational basis set. Also demonstrated is the fact that for a graphite monolayer, local density total energies give excellent descriptions of equilibrium geometries and discuss the overestimation of local-density cohesive energies due to an incomplete treatment of correlation effects in the free atom

  11. Characterization of the intrinsic density profiles for liquid surfaces

    International Nuclear Information System (INIS)

    Chacon, Enrique; Tarazona, Pedro

    2005-01-01

    This paper presents recent advances in the characterization of the intrinsic structures in computer simulations of liquid surfaces. The use of operational definitions for the intrinsic surface, associated with each molecular configuration of a liquid slab, gives direct access to the intrinsic profile and to the wavevector dependent surface tension. However, the characteristics of these functions depend on the definition used for the intrinsic surface. We discuss the pathologies associated with a local Gibbs dividing surface definition, and consider the alternative definition of a minimal area surface, going though a set of surface pivots, self-consistently chosen to represent the first liquid layer

  12. A local leaky-box model for the local stellar surface density-gas surface density-gas phase metallicity relation

    Science.gov (United States)

    Zhu, Guangtun Ben; Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Yan, Renbin; Brinkmann, Jonathan

    2017-07-01

    We revisit the relation between the stellar surface density, the gas surface density and the gas-phase metallicity of typical disc galaxies in the local Universe with the SDSS-IV/MaNGA survey, using the star formation rate surface density as an indicator for the gas surface density. We show that these three local parameters form a tight relationship, confirming previous works (e.g. by the PINGS and CALIFA surveys), but with a larger sample. We present a new local leaky-box model, assuming star-formation history and chemical evolution is localized except for outflowing materials. We derive closed-form solutions for the evolution of stellar surface density, gas surface density and gas-phase metallicity, and show that these parameters form a tight relation independent of initial gas density and time. We show that, with canonical values of model parameters, this predicted relation match the observed one well. In addition, we briefly describe a pathway to improving the current semi-analytic models of galaxy formation by incorporating the local leaky-box model in the cosmological context, which can potentially explain simultaneously multiple properties of Milky Way-type disc galaxies, such as the size growth and the global stellar mass-gas metallicity relation.

  13. Self-organization of dislocation-free, high-density, vertically aligned GaN nanocolumns involving InGaN quantum wells on graphene/SiO2 covered with a thin AlN buffer layer

    International Nuclear Information System (INIS)

    Hayashi, Hiroaki; Konno, Yuta; Kishino, Katsumi

    2016-01-01

    We demonstrated the self-organization of high-density GaN nanocolumns on multilayer graphene (MLG)/SiO 2 covered with a thin AlN buffer layer by RF-plasma-assisted molecular beam epitaxy. MLG/SiO 2 substrates were prepared by the transfer of CVD graphene onto thermally oxidized SiO 2 /Si [100] substrates. Employing the MLG with an AlN buffer layer enabled the self-organization of high-density and vertically aligned nanocolumns. Transmission electron microscopy observation revealed that no threading dislocations, stacking faults, or twinning defects were included in the self-organized nanocolumns. The photoluminescence (PL) peak intensities of the self-organized GaN nanocolumns were 2.0–2.6 times higher than those of a GaN substrate grown by hydride vapor phase epitaxy. Moreover, no yellow luminescence or ZB-phase GaN emission was observed from the nanocolumns. An InGaN/GaN MQW and p-type GaN were integrated into GaN nanocolumns grown on MLG, displaying a single-peak PL emission at a wavelength of 533 nm. Thus, high-density nitride p–i–n nanocolumns were fabricated on SiO 2 /Si using the transferred MLG interlayer, indicating the possibility of developing visible nanocolumn LEDs on graphene/SiO 2 . (paper)

  14. Creep Deformation by Dislocation Movement in Waspaloy.

    Science.gov (United States)

    Whittaker, Mark; Harrison, Will; Deen, Christopher; Rae, Cathie; Williams, Steve

    2017-01-12

    Creep tests of the polycrystalline nickel alloy Waspaloy have been conducted at Swansea University, for varying stress conditions at 700 °C. Investigation through use of Transmission Electron Microscopy at Cambridge University has examined the dislocation networks formed under these conditions, with particular attention paid to comparing tests performed above and below the yield stress. This paper highlights how the dislocation structures vary throughout creep and proposes a dislocation mechanism theory for creep in Waspaloy. Activation energies are calculated through approaches developed in the use of the recently formulated Wilshire Equations, and are found to differ above and below the yield stress. Low activation energies are found to be related to dislocation interaction with γ' precipitates below the yield stress. However, significantly increased dislocation densities at stresses above yield cause an increase in the activation energy values as forest hardening becomes the primary mechanism controlling dislocation movement. It is proposed that the activation energy change is related to the stress increment provided by work hardening, as can be observed from Ti, Ni and steel results.

  15. Dislocation Structures in Creep-deformed Polycrystalline MgO

    DEFF Research Database (Denmark)

    Bilde-Sørensen, Jørgen

    1972-01-01

    dislocation segments lie in their slip or climb planes. On the basis of this structure, a model is proposed in which glide is the principal cause of deformation but the rate-limiting process, i.e. annealing of the network, is diffusion-controlled. Theoretical estimates and experimental results agree within 1...... energy of 76 ± 12 kcal/mol. The creep rate is independent of grain size. The dislocation structure was investigated by transmission electron microscopy. The total dislocation density follows the relation, σ=bG√ρ, commonly found for metals. The dislocations form a 3-dimensional network in which many...

  16. High Density Periodic Metal Nanopyramids for Surface Enhanced Raman Spectroscopy

    NARCIS (Netherlands)

    Jin, Mingliang

    2012-01-01

    The work presented in this thesis is focused on two areas. First, a new type of nanotextured noble-metal surface has been developed. The new nanotextured surface is demonstrated to enhance inelastic (Raman) scattering, called surface enhanced Raman scattering (SERS), from molecules adsorbed on the

  17. The effect of length scale on the determination of geometrically necessary dislocations via EBSD continuum dislocation microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ruggles, T.J., E-mail: timmyruggs@gmail.com [National Institute of Aerospace, 100 Exploration Way, Hampton, VA 23666 (United States); Department of Mechanical Engineering, Brigham Young University, Provo, UT 84602 (United States); Rampton, T.M. [EDAX Inc., 91 McKee Drive, Mahwah, NJ 07430 (United States); Khosravani, A. [Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Fullwood, D.T. [Department of Mechanical Engineering, Brigham Young University, Provo, UT 84602 (United States)

    2016-05-15

    Electron backscatter diffraction (EBSD) dislocation microscopy is an important, emerging field in metals characterization. Currently, calculation of geometrically necessary dislocation (GND) density is problematic because it has been shown to depend on the step size of the EBSD scan used to investigate the sample. This paper models the change in calculated GND density as a function of step size statistically. The model provides selection criteria for EBSD step size as well as an estimate of the total dislocation content. Evaluation of a heterogeneously deformed tantalum specimen is used to asses the method. - Highlights: • The GND to SSD transition with increasing step size is analytically modeled. • Dislocation density of a microindented tantalum single crystal is measured. • Guidelines for step size selection in EBSD dislocation microscopy are presented.

  18. Riemann–Cartan Geometry of Nonlinear Dislocation Mechanics

    KAUST Repository

    Yavari, Arash

    2012-03-09

    We present a geometric theory of nonlinear solids with distributed dislocations. In this theory the material manifold-where the body is stress free-is a Weitzenböck manifold, that is, a manifold with a flat affine connection with torsion but vanishing non-metricity. Torsion of the material manifold is identified with the dislocation density tensor of nonlinear dislocation mechanics. Using Cartan\\'s moving frames we construct the material manifold for several examples of bodies with distributed dislocations. We also present non-trivial examples of zero-stress dislocation distributions. More importantly, in this geometric framework we are able to calculate the residual stress fields, assuming that the nonlinear elastic body is incompressible. We derive the governing equations of nonlinear dislocation mechanics covariantly using balance of energy and its covariance. © 2012 Springer-Verlag.

  19. Gradients of geometrically necessary dislocations from white beam microdiffraction

    International Nuclear Information System (INIS)

    Barabash, R.I.; Ice, G.E.; Pang, J.W.L.

    2005-01-01

    Variations in the local crystallographic orientation due to the presence of geometrically necessary dislocations and dislocation boundaries smear the distribution of intensity near Laue reflections. Here, some simple model distributions of geometrically necessary dislocations, GNDs, are used to estimate the dislocation tensor field from the intensity distribution of Laue peaks. Streaking of the Laue spots is found to be quantitatively and qualitatively distinct depending on the ratio between the absorption coefficient and the GND density gradient. In addition, different slip systems cause distinctly different Laue-pattern streaking. Experimental Laue patterns are therefore sensitive to stored dislocations and GNDs. As an example, white beam microdiffraction was applied to characterize the dislocation arrangement in a deformed polycrystalline Ni grain during in situ uniaxial tension

  20. Low energy dislocation structures due to unidirectional deformation at low temperatures

    DEFF Research Database (Denmark)

    Hansen, Niels; Kuhlmann-Wilsdorf, D.

    1986-01-01

    The line energy of dislocations is {Gb2f(v)/4π} 1n(R/b) with R range of the dislocation stress field from the axis. This equation implies that quasi-uniform distributions are unstable relative to dislocation clusters in which neighboring dislocations mutually screen their stress fields, correspon......The line energy of dislocations is {Gb2f(v)/4π} 1n(R/b) with R range of the dislocation stress field from the axis. This equation implies that quasi-uniform distributions are unstable relative to dislocation clusters in which neighboring dislocations mutually screen their stress fields......, correspondingly leaving the major fraction of the volume free of dislocations. The value of R decreases in the following order: pile-ups to dipolar mats, Taylor lattices, tilt and dipolar walls to dislocation cell structures. This is the same order in which dislocation structures tend to develop with increasing...... dislocation density and hence increased dislocation interactions, leading to the corresponding energy decrease per unit length of dislocation line. Taking into consideration also the longer-range “termination stresses” of finite dislocation boundaries, and minimizing the total energy, explains the size...

  1. Dislocation: First Aid

    Science.gov (United States)

    ... or a collision during contact or high-speed sports. Dislocation usually involves the body's larger joints. In adults, the most common site of the injury is the shoulder. In children, it's the elbow. ...

  2. Broken or dislocated jaw

    Science.gov (United States)

    ... broken or dislocated jaw requires prompt medical attention. Emergency symptoms include difficulty breathing or heavy bleeding. ... safety equipment, such as a helmet when playing football, or using ... can prevent or minimize some injuries to the face or jaw.

  3. Density functional theory of simple polymers in a slit pore. III. Surface tension

    International Nuclear Information System (INIS)

    Hooper, Justin B.; McCoy, John D.; Curro, John G.; Swol, Frank van

    2000-01-01

    In a previous study of tangent hard-site chains near a surface, the inhomogeneous density profiles were found through density functional theory. In the current study, the surface tensions of these systems are found from the results of the previous study through a thermodynamic integration. The calculated surface tensions are then compared to those found directly through computer simulation. Both the surface tension and surface excess for polymeric systems are shown to differ qualitatively from those of atomic systems, although certain similarities are seen at high densities. (c) 2000 American Institute of Physics

  4. Characterization of lacunae density in pictorial surfaces using GIS software

    Directory of Open Access Journals (Sweden)

    Frederico Henriques

    2010-01-01

    Full Text Available This study deals with the application of simple image-processing techniques, in a geographic information system (GIS environment, on a detailed digital photography of a retabular painting. The aim is to register semi-automatically the lacunae density, through reclassification, and point density estimation. The digital photography image used on the exercise displays a detail of a 16th century panel painting named "Resurrection of Lazarus", from the Rotunda of Christ Convent, in Tomar, Portugal. The final result is a thematic pathology map of lacunae type.

  5. Dislocation structure and cold resistance of low-carbon steel

    International Nuclear Information System (INIS)

    Gul', Yu.P.; Karnaukh, A.I.

    1975-01-01

    In the formation of the dislocation structure of a small (10%) deformation, the determining effect on the cold brittleness temperature is exerted by the degree of uniformity in the distribution of dislocations and microvolumes. The overall density of the dislocations is of secondary importance here. By pretreatment to achieve more uniform distribution and dispersion of particles of the excess phase, the degree of uniformity of dislocation distribution in microvolumes can be increased, the cold brittleness temperature lowered and the effect of various deformation patterns on resistance to cold counterbalanced. The formation of a cell-type dislocation structure in the case of a nonuniform distribution of relatively large particles of the excess phase and in that of a large overall density of dislocations does not result in low brittleness temperatures. The formation of a cell-type dislocation structure in the case of uniform distribution of particles of the excess phase and of a comparatively small overall density of dislocations is accompanied by a very pronounced decrease in cold brittleness temperature not only by comparison with other types of dislocation structure but also with the normalized state. At the same time the formation of this kind of a cell structure leads to a substantial (factor of 2-5) increase in resistance to plastic deformation. The prerequisites for obtaining an optimum dislocation are fulfilled either by a combination of hardening from the austenitic region and prompt, small-scale (5%) deformation, or by a combination of accelerated cooling from the austenitic region, 30-40% deformation and high yield. The size of the dislocation cells observed under the electron microscope does not exhibit - within the limits investigated - any direct effect on the cold brittleness temperature. (author)

  6. Dislocation dynamics in Al-Li alloys: mean jump distance and activation length of moving dislocations

    International Nuclear Information System (INIS)

    De Hosson, J.Th.M.; Huis Int Veld, A.

    1984-01-01

    It is pointed out that aluminum-lithium based alloys offer considerable promise for structural applications, especially in the aerospace industry. This promise is related to the potential for high strength in combination with a density which is lower than that found in conventional aluminum alloys. In addition, the modulus of elasticity is higher than corresponding values in conventional aluminum alloys. A nuclear magnetic resonance study of the mechanism of dislocation motion in Al-2.2 wt pct Li is reported. Information about the effective mean jump distance of mobile dislocations is provided by in situ nuclear spin relaxation measurements. The activation length of mobile dislocations has been obtained from strain-rate change experiments on Al-2.2 wt pct Li. The considered study shows that pulsed nuclear magnetic resonance is a complementary new technique for the study of moving dislocations in Al-Li alloys. 28 references

  7. Flamelet Surface Density and Burning Rate Integral in Premixed Combustion

    National Research Council Canada - National Science Library

    Gouldin, F

    1999-01-01

    We have developed, tested and applied in V-flames and a spark ignition engine a new experimental method, crossed-plane laser imaging, for measuring flamelet surface normals in premixed turbulent flames...

  8. Transition pathways in the unfaulting of dislocation loops

    International Nuclear Information System (INIS)

    Kubota, Alison; Wolfer, W.G.

    2005-01-01

    In order to study the dynamic mechanism of loop unfaulting, we performed large-scale classical molecular dynamics simulations involving computational cells with several millions of atoms. To induce dislocation loop unfaulting, we launched 1 ps duration traction stress pulses at a free surface of the computational box. In many cases, we observe unfaulting to involve both intuitive and complex dislocation processes with multiple Shockley partial dislocations. However, in some instances, we observe unfaulting to occur by a sudden instability of the stacking fault without clear traces of dislocation reactions

  9. Dislocation based controlling of kinematic hardening contribution to simulate primary and secondary stages of uniaxial ratcheting

    Science.gov (United States)

    Bhattacharjee, S.; Dhar, S.; Acharyya, S. K.

    2017-07-01

    The primary and secondary stages of the uniaxial ratcheting curve for the C-Mn steel SA333 have been investigated. Stress controlled uniaxial ratcheting experiments were conducted with different mean stresses and stress amplitudes to obtain curves showing the evolution of ratcheting strain with number of cycles. In stage-I of the ratcheting curve, a large accumulation of ratcheting strain occurs, but at a decreasing rate. In contrast, in stage-II a smaller accumulation of ratcheting strain is found and the ratcheting rate becomes almost constant. Transmission electron microscope observations reveal that no specific dislocation structures are developed during the early stages of ratcheting. Rather, compared with the case of low cycle fatigue, it is observed that sub-cell formation is delayed in the case of ratcheting. The increase in dislocation density as a result of the ratcheting strain is obtained using the Orowan equation. The ratcheting strain is obtained from the shift of the plastic strain memory surface. The dislocation rearrangement is incorporated in a functional form of dislocation density, which is used to calibrate the parameters of a kinematic hardening law. The observations are formulated in a material model, plugged into the ABAQUS finite element (FE) platform as a user material subroutine. Finally the FE-simulated ratcheting curves are compared with the experimental curves.

  10. Dislocation Interactions in Olivine Revealed by HR-EBSD

    Science.gov (United States)

    Wallis, David; Hansen, Lars N.; Britton, T. Ben; Wilkinson, Angus J.

    2017-10-01

    Interactions between dislocations potentially provide a control on strain rates produced by dislocation motion during creep of rocks at high temperatures. However, it has been difficult to establish the dominant types of interactions and their influence on the rheological properties of creeping rocks due to a lack of suitable observational techniques. We apply high-angular resolution electron backscatter diffraction to map geometrically necessary dislocation (GND) density, elastic strain, and residual stress in experimentally deformed single crystals of olivine. Short-range interactions are revealed by cross correlation of GND density maps. Spatial correlations between dislocation types indicate that noncollinear interactions may impede motion of proximal dislocations at temperatures of 1000°C and 1200°C. Long-range interactions are revealed by autocorrelation of GND density maps. These analyses reveal periodic variations in GND density and sign, with characteristic length scales on the order of 1-10 μm. These structures are spatially associated with variations in elastic strain and residual stress on the order of 10-3 and 100 MPa, respectively. Therefore, short-range interactions generate local accumulations of dislocations, leading to heterogeneous internal stress fields that influence dislocation motion over longer length scales. The impacts of these short- and/or long-range interactions on dislocation velocities may therefore influence the strain rate of the bulk material and are an important consideration for future models of dislocation-mediated deformation mechanisms in olivine. Establishing the types and impacts of dislocation interactions that occur across a range of laboratory and natural deformation conditions will help to establish the reliability of extrapolating laboratory-derived flow laws to real Earth conditions.

  11. Lactoperoxidase catalyzed radioiodination of cell surface immunoglobulin: incorporated radioactivity may not reflect relative cell surface Ig density

    International Nuclear Information System (INIS)

    Wilder, R.L.; Yuen, C.C.; Mage, R.G.

    1979-01-01

    Rabbit and mouse splenic lymphocytes were radioiodinated by the lactoperoxidase technique, extracted with non-ionic detergent, immunoprecipitated with high titered rabbit anti-kappa antisera, and compared by SDS-PAGE. Mouse sIg peaks were reproducibly larger in size than rabbit sIg peaks (often greater than 10 times). Neither differences in incorporation of label into the rabbit cell surface, nor differences in average sIg density explain this result. Total TCA-precipitable radioactivity was similar in each species. Estimation of the relative amounts of sIg in the mouse and rabbit showed similar average sIg densities. Differences in detergent solubility, proteolytic lability, or antisera used also do not adequately account for this difference. Thus, these data indicate that radioactivity incorporated after lactoperoxidase catalyzed cell surface radioiodination may not reflect cell surface Ig density. Conclusions about cell surface density based upon relative incorporation of radioactivity should be confirmed by other approaches

  12. Cellular growth and dislocation structures in laser-nitrided titanium

    NARCIS (Netherlands)

    Kloosterman, A.B.; Hosson, J.Th.M. De

    1997-01-01

    Transmission electron microscopic observations were made of different dislocation structures in laser-nitrided titanium. Equidistant edge dislocations in the bulk and periodic surface structures exhibit a periodicity within the same order of magnitude. An analysis is presented in which both periodic

  13. Density-functional calculations of the surface tension of liquid Al and Na

    Science.gov (United States)

    Stroud, D.; Grimson, M. J.

    1984-01-01

    Calculations of the surface tensions of liquid Al and Na are described using the full ionic density functional formalism of Wood and Stroud (1983). Surface tensions are in good agreement with experiment in both cases, with results substantially better for Al than those found previously in the gradient approximation. Preliminary minimization with respect to surface profile leads to an oscillatory profile superimposed on a nearly steplike ionic density disribution; the oscillations have a wavellength of about a hardsphere diameter.

  14. Density functional theory in surface chemistry and catalysis

    DEFF Research Database (Denmark)

    Nørskov, Jens Kehlet; Abild-Pedersen, Frank; Studt, Felix

    2011-01-01

    Recent advances in the understanding of reactivity trends for chemistry at transition-metal surfaces have enabled in silico design of heterogeneous catalysts in a few cases. The current status of the field is discussed with an emphasis on the role of coupling theory and experiment and future...

  15. Dislocation Dynamics During Plastic Deformation

    CERN Document Server

    Messerschmidt, Ulrich

    2010-01-01

    The book gives an overview of the dynamic behavior of dislocations and its relation to plastic deformation. It introduces the general properties of dislocations and treats the dislocation dynamics in some detail. Finally, examples are described of the processes in different classes of materials, i.e. semiconductors, ceramics, metals, intermetallic materials, and quasicrystals. The processes are illustrated by many electron micrographs of dislocations under stress and by video clips taken during in situ straining experiments in a high-voltage electron microscope showing moving dislocations. Thus, the users of the book also obtain an immediate impression and understanding of dislocation dynamics.

  16. Significance of dislocations in the mechanism of Hadfield cast steel strengthening

    International Nuclear Information System (INIS)

    Stradomski, Z.; Morgiel, J.; Olszewski, J.

    1999-01-01

    The paper presents the results of microstructural examination of the adfield cast steel (L120G13 according to Polish Standards) strengthened by explosion method, which is an attractive alternative of the surface treatment of metal materials regarding its technological, economical and organizational aspects. The presented results have been obtained by means of qualitative and quantitative analysis of thin foils taken at different distances from the material surface being strengthened by single, double or triple detonation of 3 mm thick charges of explosive. The high pressure, order of 18 GPa, causes significant changes in dislocation structure of the austenite matrix. The strengthening of Hadfield cast steel during explosion is based on the increase of the dislocation density by several times as related to the supersaturated state and on the creation of dislocation bands consisting of short, densely tangled dislocations. Plastic deformation mechanisms i. e., slip lines and micro-twins, are definitively of minor importance. It has been also proved by means of the nuclear resonance method that the explosion do not cause changes in distribution of carbon atoms in the nearest neighbourhood of Fe atoms and that austenite is not transformed into the α-martensite or the hexagonal ε-phase. (author)

  17. Characterisation of multicrystalline silicon solar cells. Development of characterisation method for the combined effect of dislocations and grain boundaries on the minority carrier lifetime

    Energy Technology Data Exchange (ETDEWEB)

    Stokkan, Gaute

    2004-07-01

    The thesis has sections on theoretical background, mathematical models, experimental work such as lifetime measurements, dislocation density and grain boundary mapping, simulation of electrical activity mapping and conclusions and future work. Various mathematical models and nafion surface passivation are studied as well.

  18. Modeling of dislocation generation and interaction during high-speed deformation of metals

    DEFF Research Database (Denmark)

    Schiøtz, J.; Leffers, T.; Singh, B.N.

    2002-01-01

    Recent experiments by Kiritani et al. [1] have revealed a surprisingly high rate of vacancy production during highspeed deformation of thin foils of fcc metals. Virtually no dislocations are seen after the deformation. This is interpreted as evidence for a dislocation-free deformation mechanism...... at very high strain rates. We have used molecular-dynamics simulations to investigate high-speed deformation of copper crystals. Even though no pre-existing dislocation sources are present in the initial system, dislocations are quickly nucleated and a very high dislocation density is reached during...... the deformation. Due to the high density of dislocations, many inelastic interactions occur between dislocations, resulting in the generation of vacancies. After the deformation, a very high density of vacancies is observed, in agreement with the experimental observations. The processes responsible...

  19. Stratified turbulent Bunsen flames: flame surface analysis and flame surface density modelling

    Science.gov (United States)

    Ramaekers, W. J. S.; van Oijen, J. A.; de Goey, L. P. H.

    2012-12-01

    In this paper it is investigated whether the Flame Surface Density (FSD) model, developed for turbulent premixed combustion, is also applicable to stratified flames. Direct Numerical Simulations (DNS) of turbulent stratified Bunsen flames have been carried out, using the Flamelet Generated Manifold (FGM) reduction method for reaction kinetics. Before examining the suitability of the FSD model, flame surfaces are characterized in terms of thickness, curvature and stratification. All flames are in the Thin Reaction Zones regime, and the maximum equivalence ratio range covers 0.1⩽φ⩽1.3. For all flames, local flame thicknesses correspond very well to those observed in stretchless, steady premixed flamelets. Extracted curvature radii and mixing length scales are significantly larger than the flame thickness, implying that the stratified flames all burn in a premixed mode. The remaining challenge is accounting for the large variation in (subfilter) mass burning rate. In this contribution, the FSD model is proven to be applicable for Large Eddy Simulations (LES) of stratified flames for the equivalence ratio range 0.1⩽φ⩽1.3. Subfilter mass burning rate variations are taken into account by a subfilter Probability Density Function (PDF) for the mixture fraction, on which the mass burning rate directly depends. A priori analysis point out that for small stratifications (0.4⩽φ⩽1.0), the replacement of the subfilter PDF (obtained from DNS data) by the corresponding Dirac function is appropriate. Integration of the Dirac function with the mass burning rate m=m(φ), can then adequately model the filtered mass burning rate obtained from filtered DNS data. For a larger stratification (0.1⩽φ⩽1.3), and filter widths up to ten flame thicknesses, a β-function for the subfilter PDF yields substantially better predictions than a Dirac function. Finally, inclusion of a simple algebraic model for the FSD resulted only in small additional deviations from DNS data

  20. Dislocation climb models from atomistic scheme to dislocation dynamics

    OpenAIRE

    Niu, Xiaohua; Luo, Tao; Lu, Jianfeng; Xiang, Yang

    2016-01-01

    We develop a mesoscopic dislocation dynamics model for vacancy-assisted dislocation climb by upscalings from a stochastic model on the atomistic scale. Our models incorporate microscopic mechanisms of (i) bulk diffusion of vacancies, (ii) vacancy exchange dynamics between bulk and dislocation core, (iii) vacancy pipe diffusion along the dislocation core, and (iv) vacancy attachment-detachment kinetics at jogs leading to the motion of jogs. Our mesoscopic model consists of the vacancy bulk dif...

  1. Dislocation of jaws

    International Nuclear Information System (INIS)

    Katzberg, R.W.; Hayakawa, K.; Anderson, Q.N.; Manzione, J.V.; Helms, C.A.; Tallents, R.

    1984-01-01

    Pluri-directional tomographic and arthrotomographic findings are described in six patients with dislocation of the jaw severe enough to require medical assistance. A grooved defect along the posterior aspect of the condylar head was noted in two of the six patients. The arthrotomographic findings that were obtained in one patient that was dislocated at the time of the arthrogram did not suggest a meniscocondyle incoordination as a mechanism. However, arthrotomographic findings in the six reported cases suggest that significant intra-articular soft tissue damage may result. (orig.)

  2. Numerical Calculation of Distribution of Induced Carge Density on Planar Confined Surfaces

    International Nuclear Information System (INIS)

    Bolotov, V.; Druzhchenko, R.; Karazin, V.; Lominadze, J.; Kharadze, F.

    2007-01-01

    The calculation method of distribution of induced charge density on planar surfaces, including fractal structures of Sierpinski carpet type, is propesed. The calculation scheme is based on the fact that simply connected conducting surface of arbitrary geometry is an equipotential surface. (author)

  3. Surface tension and density of fusible metal melt with sulphur and selenium

    International Nuclear Information System (INIS)

    Najdich, Yu.V.; Krasovskij, Yu.P.; Chuvashov, Yu.N.

    1990-01-01

    Surface tension and density at 970 K have been determined for melts of Ga, In, Sn and Pb with S and Se. High surface activity of chalcogens in the melts has been found. A maximal adsorption of the active components and their ultimate surface activity that correlate with thermodinamical strength of the corresponding sulfides and selenides have been calculated

  4. Surface regulated arsenenes as Dirac materials: From density functional calculations

    International Nuclear Information System (INIS)

    Yuan, Junhui; Xie, Qingxing; Yu, Niannian; Wang, Jiafu

    2017-01-01

    Highlights: • The presence of Dirac cones in chemically decorated buckled arsenene AsX (X = CN, NC, NCO, NCS, and NCSe) has been revealed. • First-principles calculations show that all these chemically decorated arsenenes are kinetically stable in defending thermal fluctuations in room temperature. - Abstract: Using first principle calculations based on density functional theory (DFT), we have systematically investigated the structure stability and electronic properties of chemically decorated arsenenes, AsX (X = CN, NC, NCO, NCS and NCSe). Phonon dispersion and formation energy analysis reveal that all the five chemically decorated buckled arsenenes are energetically favorable and could be synthesized. Our study shows that wide-bandgap arsenene would turn into Dirac materials when functionalized by -X (X = CN, NC, NCO, NCS and NCSe) groups, rendering new promises in next generation high-performance electronic devices.

  5. Scanning tunnelling microscope imaging of nanoscale electron density gradients on the surface of GaAs

    International Nuclear Information System (INIS)

    Hamilton, B; Jacobs, J; Missous, M

    2003-01-01

    This paper is concerned with the scanning tunnelling microscope tunnelling conditions needed to produce constant current images dominated either by surface topology or by electronic effects. A model experimental structure was produced by cleaving a GaAs multiδ-doped layer in UHV and so projecting a spatially varying electron gas density onto the (110) surface. This cross sectional electron density varies on a nanometre scale in the [100] growth direction. The electronic structure and tunnelling properties of this system were modelled, and the tunnelling conditions favouring sensitivity to the surface electron gas density determined

  6. Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

    DEFF Research Database (Denmark)

    Gavnholt, Jeppe; Rubio, Angel; Olsen, Thomas

    2009-01-01

    Using time-evolution time-dependent density functional theory (TDDFT) within the adiabatic local-density approximation, we study the interactions between single electrons and molecular resonances at surfaces. Our system is a nitrogen molecule adsorbed on a ruthenium surface. The surface is modele...... resonance and the lowering of the resonance energy due to an image charge effect. Finally we apply the TDDFT procedure to only consider the decay of molecular excitations and find that it agrees quite well with the width of the projected density of Kohn-Sham states....

  7. Dislocation reduction in heteroepitaxial Ge on Si using SiO{sub 2} lined etch pits and epitaxial lateral overgrowth

    Energy Technology Data Exchange (ETDEWEB)

    Leonhardt, Darin; Han, Sang M. [Department of Chemical and Nuclear Engineering, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

    2011-09-12

    We report a technique that significantly reduces threading dislocations in Ge on Si heteroepitaxy. Germanium is first grown on Si and etched to produce pits in the surface where threading dislocations terminate. Further processing leaves a layer of SiO{sub 2} only within etch pits. Subsequent selective epitaxial Ge growth results in coalescence above the SiO{sub 2}. The SiO{sub 2} blocks the threading dislocations from propagating into the upper Ge epilayer. With annealed Ge films grown on Si, the said method reduces the defect density from 2.6 x 10{sup 8} to 1.7 x 10{sup 6} cm{sup -2}, potentially making the layer suitable for electronic and photovoltaic devices.

  8. Optical excitation and electron relaxation dynamics at semiconductor surfaces: a combined approach of density functional and density matrix theory applied to the silicon (001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Buecking, N

    2007-11-05

    In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the

  9. Surface density profile and surface tension of the one-component classical plasma

    International Nuclear Information System (INIS)

    Ballone, P.; Senatore, G.; Trieste Univ.; Tosi, M.P.; Oxford Univ.

    1982-08-01

    The density profile and the interfacial tension of two classical plasmas in equilibrium at different densities are evaluated in the square-density-gradient approximation. For equilibrium in the absence of applied external voltage, the profile is oscillatory in the higher-density plasma and the interfacial tension is positive. The amplitude and phase of these oscillations and the magnitude of the interfacial tension are related to the width of the background profile. Approximate representations of the equilibrium profile by matching of its asymptotic forms are analyzed. A comparison with computer simulation data and a critical discussion of a local-density theory are also presented. (author)

  10. Dislocation dipole annihilation in diamond and silicon

    Energy Technology Data Exchange (ETDEWEB)

    Rabier, J; Pizzagalli, L, E-mail: jacques.rabier@univ-poitiers.fr [Institut PPRIMME, Departement de Physique et Mecanique des Materiaux - UPR 3346 CNRS, Universite de Poitiers, ENSMA - SP2MI, BP 30179, F-86962 Chasseneuil Futuroscope Cedex (France)

    2011-02-01

    The mechanism of dislocation dipole annihilation has been investigated in C and Si using atomistic calculations with the aim of studying their annihilation by-products. It is shown, in C as well as in Si, that dipole annihilation yields debris that can be depicted as a cluster of vacancies, or alternately by two internal free surfaces. These defects have no strain field and can hardly be seen using usual TEM techniques. This suggests that the brown colouration of diamond could be due to microstructures resulting from deformation mechanisms associated with dipole formation and their annihilation rather than to a climb mechanism and vacancy aggregation. In silicon where a number of dipoles have been evidenced by TEM when dislocation trails are found, such debris could be the missing link responsible for the observation of strong chemical reactivity and electrical activity in the wake of moving dislocations.

  11. Dislocated Worker Project.

    Science.gov (United States)

    1988

    Due to the severe economic decline in the automobile manufacturing industry in southeastern Michigan, a Dislocated Workers Program has been developed through the partnership of the Flint Area Chamber of Commerce, three community colleges, the National Center for Research in Vocational Education, the Michigan State Department of Education, the…

  12. Influence of strain on dislocation core in silicon

    Science.gov (United States)

    Pizzagalli, L.; Godet, J.; Brochard, S.

    2018-05-01

    First principles, density functional-based tight binding and semi-empirical interatomic potentials calculations are performed to analyse the influence of large strains on the structure and stability of a 60? dislocation in silicon. Such strains typically arise during the mechanical testing of nanostructures like nanopillars or nanoparticles. We focus on bi-axial strains in the plane normal to the dislocation line. Our calculations surprisingly reveal that the dislocation core structure largely depends on the applied strain, for strain levels of about 5%. In the particular case of bi-axial compression, the transformation of the dislocation to a locally disordered configuration occurs for similar strain magnitudes. The formation of an opening, however, requires larger strains, of about 7.5%. Furthermore, our results suggest that electronic structure methods should be favoured to model dislocation cores in case of large strains whenever possible.

  13. Dislocated Shoulder: Symptoms and Causes

    Science.gov (United States)

    ... caused by: Sports injuries. Shoulder dislocation is a common injury in contact sports, such as football and hockey, and in sports that may involve falls, such as downhill skiing, gymnastics and volleyball. ... is a common source of dislocation. Falls. You may dislocate your ...

  14. Influence of surface conditions in nucleate boiling--the concept of bubble flux density

    International Nuclear Information System (INIS)

    Shoukri, M.; Judd, R.L.

    1978-01-01

    A study of the influence of surface conditions in nucleate pool boiling is presented. The surface conditions are represented by the number and distribution of the active nucleation sites as well as the size and size distribution of the cavities that constitute the nucleation sites. The heat transfer rate during nucleate boiling is shown to be influenced by the surface condition through its effect on the number and distribution of the active nucleation sites as well as the frequency of bubble departure from each of these different size cavities. The concept of bubble flux density, which is a function of both the active site density and frequency of bubble departure, is introduced. A method of evaluating the bubble flux density is proposed and a uniform correlation between the boiling heat flux and the bubble flux density is found to exist for a particular solid-liquid combination irrespective of the surface finish within the region of isolated bubbles

  15. Surface Snow Density of East Antarctica Derived from In-Situ Observations

    Science.gov (United States)

    Tian, Y.; Zhang, S.; Du, W.; Chen, J.; Xie, H.; Tong, X.; Li, R.

    2018-04-01

    Models based on physical principles or semi-empirical parameterizations have used to compute the firn density, which is essential for the study of surface processes in the Antarctic ice sheet. However, parameterization of surface snow density is often challenged by the description of detailed local characterization. In this study we propose to generate a surface density map for East Antarctica from all the filed observations that are available. Considering that the observations are non-uniformly distributed around East Antarctica, obtained by different methods, and temporally inhomogeneous, the field observations are used to establish an initial density map with a grid size of 30 × 30 km2 in which the observations are averaged at a temporal scale of five years. We then construct an observation matrix with its columns as the map grids and rows as the temporal scale. If a site has an unknown density value for a period, we will set it to 0 in the matrix. In order to construct the main spatial and temple information of surface snow density matrix we adopt Empirical Orthogonal Function (EOF) method to decompose the observation matrix and only take first several lower-order modes, because these modes already contain most information of the observation matrix. However, there are a lot of zeros in the matrix and we solve it by using matrix completion algorithm, and then we derive the time series of surface snow density at each observation site. Finally, we can obtain the surface snow density by multiplying the modes interpolated by kriging with the corresponding amplitude of the modes. Comparative analysis have done between our surface snow density map and model results. The above details will be introduced in the paper.

  16. Simulating measures of wood density through the surface by Compton scattering

    International Nuclear Information System (INIS)

    Penna, Rodrigo; Oliveira, Arno H.; Braga, Mario R.M.S.S.; Vasconcelos, Danilo C.; Carneiro, Clemente J.G.; Penna, Ariane G.C.

    2009-01-01

    Monte Carlo code (MCNP-4C) was used to simulate a nuclear densimeter for measuring wood densities nondestructively. An Americium source (E = 60 keV) and a NaI (Tl) detector were placed on a wood block surface. Results from MCNP shown that scattered photon fluxes may be used to determining wood densities. Linear regressions between scattered photons fluxes and wood density were calculated and shown correlation coefficients near unity. (author)

  17. Understanding the Effect of Atmospheric Density on the Cosmic Ray Flux Variations at the Earth Surface

    OpenAIRE

    Dayananda, Mathes; Zhang, Xiaohang; Butler, Carola; He, Xiaochun

    2013-01-01

    We report in this letter for the first time the numerical simulations of muon and neutron flux variations at the surface of the earth with varying air densities in the troposphere and stratosphere. The simulated neutron and muon flux variations are in very good agreement with the measured neutron flux variation in Oulu and the muon flux variation in Atlanta. We conclude from this study that the stratosphere air density variation dominates the effects on the muon flux changes while the density...

  18. GAS SURFACE DENSITY, STAR FORMATION RATE SURFACE DENSITY, AND THE MAXIMUM MASS OF YOUNG STAR CLUSTERS IN A DISK GALAXY. II. THE GRAND-DESIGN GALAXY M51

    International Nuclear Information System (INIS)

    González-Lópezlira, Rosa A.; Pflamm-Altenburg, Jan; Kroupa, Pavel

    2013-01-01

    We analyze the relationship between maximum cluster mass and surface densities of total gas (Σ gas ), molecular gas (Σ H 2 ), neutral gas (Σ H I ), and star formation rate (Σ SFR ) in the grand-design galaxy M51, using published gas data and a catalog of masses, ages, and reddenings of more than 1800 star clusters in its disk, of which 223 are above the cluster mass distribution function completeness limit. By comparing the two-dimensional distribution of cluster masses and gas surface densities, we find for clusters older than 25 Myr that M 3rd ∝Σ H I 0.4±0.2 , whereM 3rd is the median of the five most massive clusters. There is no correlation withΣ gas ,Σ H2 , orΣ SFR . For clusters younger than 10 Myr, M 3rd ∝Σ H I 0.6±0.1 and M 3rd ∝Σ gas 0.5±0.2 ; there is no correlation with either Σ H 2 orΣ SFR . The results could hardly be more different from those found for clusters younger than 25 Myr in M33. For the flocculent galaxy M33, there is no correlation between maximum cluster mass and neutral gas, but we have determined M 3rd ∝Σ gas 3.8±0.3 , M 3rd ∝Σ H 2 1.2±0.1 , and M 3rd ∝Σ SFR 0.9±0.1 . For the older sample in M51, the lack of tight correlations is probably due to the combination of strong azimuthal variations in the surface densities of gas and star formation rate, and the cluster ages. These two facts mean that neither the azimuthal average of the surface densities at a given radius nor the surface densities at the present-day location of a stellar cluster represent the true surface densities at the place and time of cluster formation. In the case of the younger sample, even if the clusters have not yet traveled too far from their birth sites, the poor resolution of the radio data compared to the physical sizes of the clusters results in measuredΣ that are likely quite diluted compared to the actual densities relevant for the formation of the clusters.

  19. Sub-surface microstructure of single and polycrystalline tungsten after high flux plasma exposure studied by TEM

    Energy Technology Data Exchange (ETDEWEB)

    Dubinko, A., E-mail: adubinko@sckcen.be [Institute for Nuclear Material Sciences, SCK-CEN, 2400 Mol (Belgium); Department of Applied Physics, Ghent University, 9000 Ghent (Belgium); Terentyev, D. [Institute for Nuclear Material Sciences, SCK-CEN, 2400 Mol (Belgium); Bakaeva, A. [Institute for Nuclear Material Sciences, SCK-CEN, 2400 Mol (Belgium); Department of Applied Physics, Ghent University, 9000 Ghent (Belgium); Hernández-Mayoral, M. [Division of Materials, CIEMAT, 28040 Madrid (Spain); De Temmerman, G. [ITER Organization, Route de Vinon-sur-Verdon, CS 90 046, 13067 St Paul-lez-Durance Cedex (France); Buzi, L. [Forschungszentrum Julich, Inst. Energie & Klimaforsch Plasmaphys, D-52425 Julich (Germany); Noterdaeme, J.-M. [Department of Applied Physics, Ghent University, 9000 Ghent (Belgium); Unterberg, B. [Forschungszentrum Julich, Inst. Energie & Klimaforsch Plasmaphys, D-52425 Julich (Germany)

    2017-01-30

    Highlights: • Plasma exposure induces dislocation-dominated microstructure as indicated by TEM. • Plasma exposure increases surface dislocation density by an order of magnitude in the polycrystalline tungsten. • Intensive dislocation-grain boundary interaction observed in polycrystalline tungsten. • Dislocation loops are observed in both polycrystalline and single crystal tungsten. - Abstract: We have performed high flux plasma exposure of tungsten and subsequent microstructural characterization using transmission electron microscopy (TEM) techniques. The aim was to reveal the nanometric features in the sub-surface region as well as to compare the microstructural evolution in tungsten single crystal and ITER-relevant specification. In both types of samples, TEM examination revealed the formation of a dense dislocation network and dislocation tangles. The estimated dislocation density in the sub-surface region was of the order of 10{sup 14} m{sup −2} and it gradually decreased with a depth position of the examined sample. Besides individual dislocation lines, networks and tangles, the interstitial dislocation loops have been observed in all examined samples only after the exposure. Contrary to that, examination of the pristine single crystal W and backside of the plasma-exposed samples did not reveal the presence of dislocation loops and tangles. This clearly proves that high flux plasma exposure induces severe plastic deformation in the sub-surface region irrespective of the presence of initial dislocations and sub-grains, and the formation of dislocation tangles, networks and interstitial loops is a co-product of thermal stress and intensive plasma particles uptake.

  20. Spatial organization of plastic deformation in single crystals with different structure of slip dislocation

    Energy Technology Data Exchange (ETDEWEB)

    Kunitsyna, T. S.; Teplyakova, L. A., E-mail: lat168@mail.ru; Koneva, N. A. [Tomsk State University of Architecture and Building, Tomsk, 634003 (Russian Federation); Poltaranin, M. A. [National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation)

    2015-10-27

    It is established that different structure of slip dislocation at the end of the linear hardening stage results in different distribution of dislocation charges in the volume of a single crystal. In the alloy with a near atomic order the slip of single dislocations leads to formation of planar structures—layers with the excess density of dislocations. In the alloy with long-range atomic order the slip of superdislocations brings the formation of the system of parallel rod-like charged dislocation linking.

  1. Electron density in reasonably real metallic surfaces, including interchange and correlation effects

    International Nuclear Information System (INIS)

    Moraga, L.A.; Martinez, G.

    1981-01-01

    By means of a new method, the electron density in a jellium surface is calculated taking in account interchange and correlation effects; reproducing, in this way, the Lang and Kohn results. The new method is self-consistent but not iterative and hence is possible extend it to the solution of the same problem in more reasonably real metallic surfaces. (L.C.) [pt

  2. Tailoring Superconductivity with Quantum Dislocations.

    Science.gov (United States)

    Li, Mingda; Song, Qichen; Liu, Te-Huan; Meroueh, Laureen; Mahan, Gerald D; Dresselhaus, Mildred S; Chen, Gang

    2017-08-09

    Despite the established knowledge that crystal dislocations can affect a material's superconducting properties, the exact mechanism of the electron-dislocation interaction in a dislocated superconductor has long been missing. Being a type of defect, dislocations are expected to decrease a material's superconducting transition temperature (T c ) by breaking the coherence. Yet experimentally, even in isotropic type I superconductors, dislocations can either decrease, increase, or have little influence on T c . These experimental findings have yet to be understood. Although the anisotropic pairing in dirty superconductors has explained impurity-induced T c reduction, no quantitative agreement has been reached in the case a dislocation given its complexity. In this study, by generalizing the one-dimensional quantized dislocation field to three dimensions, we reveal that there are indeed two distinct types of electron-dislocation interactions. Besides the usual electron-dislocation potential scattering, there is another interaction driving an effective attraction between electrons that is caused by dislons, which are quantized modes of a dislocation. The role of dislocations to superconductivity is thus clarified as the competition between the classical and quantum effects, showing excellent agreement with existing experimental data. In particular, the existence of both classical and quantum effects provides a plausible explanation for the illusive origin of dislocation-induced superconductivity in semiconducting PbS/PbTe superlattice nanostructures. A quantitative criterion has been derived, in which a dislocated superconductor with low elastic moduli and small electron effective mass and in a confined environment is inclined to enhance T c . This provides a new pathway for engineering a material's superconducting properties by using dislocations as an additional degree of freedom.

  3. Atomic-scale structure of dislocations revealed by scanning tunneling microscopy and molecular dynamics

    DEFF Research Database (Denmark)

    Christiansen, Jesper; Morgenstern, K.; Schiøtz, Jakob

    2002-01-01

    The intersection between dislocations and a Ag(111) surface has been studied using an interplay of scanning tunneling microscopy (STM) and molecular dynamics. Whereas the STM provides atomically resolved information about the surface structure and Burgers vectors of the dislocations, the simulati......The intersection between dislocations and a Ag(111) surface has been studied using an interplay of scanning tunneling microscopy (STM) and molecular dynamics. Whereas the STM provides atomically resolved information about the surface structure and Burgers vectors of the dislocations......, the simulations can be used to determine dislocation structure and orientation in the near-surface region. In a similar way, the subsurface structure of other extended defects can be studied. The simulations show dislocations to reorient the partials in the surface region leading to an increased splitting width...

  4. Influence of additive laser manufacturing parameters on surface using density of partially melted particles

    Science.gov (United States)

    Rosa, Benoit; Brient, Antoine; Samper, Serge; Hascoët, Jean-Yves

    2016-12-01

    Mastering the additive laser manufacturing surface is a real challenge and would allow functional surfaces to be obtained without finishing. Direct Metal Deposition (DMD) surfaces are composed by directional and chaotic textures that are directly linked to the process principles. The aim of this work is to obtain surface topographies by mastering the operating process parameters. Based on experimental investigation, the influence of operating parameters on the surface finish has been modeled. Topography parameters and multi-scale analysis have been used in order to characterize the DMD obtained surfaces. This study also proposes a methodology to characterize DMD chaotic texture through topography filtering and 3D image treatment. In parallel, a new parameter is proposed: density of particles (D p). Finally, this study proposes a regression modeling between process parameters and density of particles parameter.

  5. Neglected isolated scaphoid dislocation

    Directory of Open Access Journals (Sweden)

    Jong-Ryoon Baek

    2016-01-01

    Full Text Available The authors present a case of isolated scaphoid dislocation in a 40-year-old male that was undiagnosed for 2 months. The patient was treated by open reduction, Kirschner wire fixation, interosseous ligament repair using a suture anchor and Blatt's dorsal capsulodesis. At 6 years followup, his radiographs of wrist showed a normal carpal alignment with a scapholunate gap of 3 mm and no evidence of avascular necrosis (AVN of the scaphoid.

  6. Self-consistent density functional calculation of the image potential at a metal surface

    International Nuclear Information System (INIS)

    Jung, J; Alvarellos, J E; Chacon, E; GarcIa-Gonzalez, P

    2007-01-01

    It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z 0 ), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z 0 , and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description

  7. Simulation of flame surface density and burning rate of a premixed turbulent flame using contour advection

    Energy Technology Data Exchange (ETDEWEB)

    Tang, B.H.Y.; Chan, C.K. [Department of Applied Mathematics, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong)

    2006-10-15

    In this paper, a 2-dimensional rod-stabilized V-shaped flame is simulated using contour advection with surgery as well as the random vortex method. Effects of turbulence on various quantities, such as flame brush thickness and flame surface density, are investigated. The flame surface density S is estimated using the Bray-Moss-Libby formulation, which involves the use of a mean orientation factor {sigma}{sub c}. As a comparison, values of S are also obtained using Shepherd's model, which employs the values of mean flame surface area and mean flame length. Local flame structure is characterized in terms of turbulent flame brush, orientation factor, and flame surface density. Profiles of S obtained using the two different models are compared and show that discrepancy is more evident with increasing turbulence intensity. (author)

  8. Self-consistent density functional calculation of the image potential at a metal surface

    Energy Technology Data Exchange (ETDEWEB)

    Jung, J [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Alvarellos, J E [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Chacon, E [Instituto de Ciencias de Materiales de Madrid, Consejo Superior de Investigaciones CientIficas, E-28049 Madrid (Spain); GarcIa-Gonzalez, P [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain)

    2007-07-04

    It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z{sub 0}), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z{sub 0}, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.

  9. Temperature-dependent surface density of alkylthiol monolayers on gold nanocrystals

    Science.gov (United States)

    Liu, Xuepeng; Lu, Pin; Zhai, Hua; Wu, Yucheng

    2018-03-01

    Atomistic molecular dynamics (MD) simulations are performed to study the surface density of passivating monolayers of alkylthiol chains on gold nanocrystals at temperatures ranging from 1 to 800 K. The results show that the surface density of alkylthiol monolayer reaches a maximum value at near room temperature (200-300 K), while significantly decreases with increasing temperature in the higher temperature region (> 300 {{K}}), and slightly decreases with decreasing temperature at low temperature (< 200 {{K}}). We find that the temperature dependence of surface ligand density in the higher temperature region is attributed to the substantial ligand desorption induced by the thermal fluctuation, while that at low temperature results from the reduction in entropy caused by the change in the ordering of passivating monolayer. These results are expected helpful to understand the temperature-dependent surface coverage of gold nanocrystals.

  10. Dechanneling by dislocation loops

    International Nuclear Information System (INIS)

    Chalant, Gerard.

    1976-09-01

    Ion implantation always induces the creation of dislocation loops. When the damage profile is determined by a backscattering technique, the dechanneling by these loops is implicitely at the origin of these measurements. The dechanneling of alpha particles by dislocation loops produced by the coalescence of quenched-in vacancies in aluminium is studied. The dechanneling and the concentration of loops were determined simultaneously. The dechanneling width around dislocation was found equal to lambda=6A, both for perfect and imperfect loops having a mean diameter d=250A. In the latter case, a dechanneling probability chi=0.34 was determined for the stacking fault, in good agreement with previous determination in gold. A general formula is proposed which takes into account the variation of lambda with the curvature (or the diameter d) of the loops. Finally, by a series of isothermal anneals, the self-diffusion energy ΔH of aluminium was measured. The value obtained ΔH=1.32+-0.10eV is in good agreement with the values obtained by other methods [fr

  11. Role of fluttering dislocations in the thermal interface resistance between a silicon crystal and plastic solid 4He

    Science.gov (United States)

    Amrit, Jay; Ramiere, Aymeric; Volz, Sebastian

    2018-01-01

    A quantum solid (solid 4He) in contact with a classical solid defines a new class of interfaces. In addition to its quantum nature, solid 4He is indeed a very plastic medium. We examine the thermal interface resistance upon solidification of superfluid 4He in contact with a silicon crystal surface (111) and show that dislocations play a crucial role in the thermal interface transport. The growth of solid 4He and the measurements are conducted at the minimum of the melting curve of helium (0.778 K and ˜25 bar ). The results display a first-order transition in the Kapitza resistance from a value of RK ,L=(80 ±8 ) c m2K /W at a pressure of 24.5 bar to a value of RK ,S=(41.7 ±8 ) c m2K /W after the formation of solid helium at ˜25.2 bar . The drop in RK ,S is only of a factor of ˜2 , although transverse phonon modes in solid 4He now participate in heat transmission at the interface. We provide an explanation for the measured RK ,S by considering the interaction of thermal phonons with vibrating dislocations in solid 4He. We demonstrate that this mechanism, also called fluttering, induces a thermal resistance RF l∝NdT-6 , where T is the temperature and Nd is the density of dislocations. We estimate that for dislocation densities on the order of ˜107c m-2 , RF l predominates over the boundary resistance RK ,S. These fundamental findings shed light on the role of dislocations and provide a quantitative explanation for previous experiments which showed no measurable change in the Kapitza resistance between Cu and superfluid 4He upon solidification of the latter. This demonstrates the possibility of using dislocations as an additional means to tailor thermal resistances at interfaces, formed especially with a plastic material.

  12. Modeling of dislocation channel width evolution in irradiated metals

    Science.gov (United States)

    Doyle, Peter J.; Benensky, Kelsa M.; Zinkle, Steven J.

    2018-02-01

    Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. Based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopy (TEM) observations, each dislocation encounter with a dislocation loop or stacking fault tetrahedron (SFT) is assumed to cause complete absorption of the defect cluster, prompting the dislocation to jog up or down by a distance equal to half the defect cluster diameter. Channels are predicted to form rapidly and are comparable to reported TEM measurements for many materials. Predicted channel widths are found to be most strongly dependent on mean defect size and correlated well with a power law dependence on defect diameter and density, and distance from the dislocation source. Due to the dependence of modeled channel width on defect diameter and density, maximum channel width is predicted to slowly increase as accumulated dose increases. The relatively weak predicted dependence of channel formation width with distance, in accordance with a diffusion analogy, implies that after only a few microns from the source, most channels observed via TEM analyses may not appear to vary with distance because of limitations in the field-of-view to a few microns. Further, examinations of the effect of the so-called "source-broadening" mechanism of channel formation showed that its effect is simply to add a minimum thickness to the channel

  13. Dislocation Starvation and Exhaustion Hardening in Mo-alloy Nanofibers

    Energy Technology Data Exchange (ETDEWEB)

    Chisholm, Claire [University of California, Berkeley & LBNL; Bei, Hongbin [ORNL; Lowry, M. B. [University of California, Berkeley; Oh, Jason [Hysitron, Inc., MN; Asif, S.A. Syed [Hysitron, Inc., MN; Warren, O. [Hysitron, Inc., MN; Shan, Zhiwei [Xi' an Jiaotong University, China & Hysitron, Inc., MN; George, Easo P [ORNL; Minor, Andrew [University of California, Berkeley & LBNL

    2012-01-01

    The evolution of defects in Mo alloy nanofibers with initial dislocation densities ranging from 0 to 1.6 1014 m2 were studied using an in situ push-to-pull device in conjunction with a nanoindenter in a transmission electron microscope. Digital image correlation was used to determine stress and strain in local areas of deformation. When they had no initial dislocations the Mo alloy nanofibers suffered sudden catastrophic elongation following elastic deformation to ultrahigh stresses. At the other extreme fibers with a high dislocation density underwent sustained homogeneous deformation after yielding at much lower stresses. Between these two extremes nanofibers with intermediate dislocation densities demonstrated a clear exhaustion hardening behavior, where the progressive exhaustion of dislocations and dislocation sources increases the stress required to drive plasticity. This is consistent with the idea that mechanical size effects ( smaller is stronger ) are due to the fact that nanostructures usually have fewer defects that can operate at lower stresses. By monitoring the evolution of stress locally we find that exhaustion hardening causes the stress in the nanofibers to surpass the critical stress predicted for self-multiplication, supporting a plasticity mechanism that has been hypothesized to account for the rapid strain softening observed in nanoscale bcc materials at high stresses.

  14. Diffuse Surface Scattering in the Plasmonic Resonances of Ultralow Electron Density Nanospheres.

    Science.gov (United States)

    Monreal, R Carmina; Antosiewicz, Tomasz J; Apell, S Peter

    2015-05-21

    Localized surface plasmon resonances (LSPRs) have recently been identified in extremely diluted electron systems obtained by doping semiconductor quantum dots. Here, we investigate the role that different surface effects, namely, electronic spill-out and diffuse surface scattering, play in the optical properties of these ultralow electron density nanosystems. Diffuse scattering originates from imperfections or roughness at a microscopic scale on the surface. Using an electromagnetic theory that describes this mechanism in conjunction with a dielectric function including the quantum size effect, we find that the LSPRs show an oscillatory behavior in both position and width for large particles and a strong blue shift in energy and an increased width for smaller radii, consistent with recent experimental results for photodoped ZnO nanocrystals. We thus show that the commonly ignored process of diffuse surface scattering is a more important mechanism affecting the plasmonic properties of ultralow electron density nanoparticles than the spill-out effect.

  15. A three dimensional discrete dislocation dynamics modelling of the early cycles of fatigue in an austenitic stainless steel 316L: dislocation microstructure and damage analysis

    International Nuclear Information System (INIS)

    Depres, Ch.

    2005-01-01

    A numerical code modelling the collective behaviour of dislocations at a mesoscopic scale (Discrete Dislocation Dynamics code) is used to analyse the cyclic plasticity that occurs in surface grains of an AISI 316L stainless steel, in order to understand the plastic mechanism involved in crack initiation in fatigue. Firstly, the analyses of both the formation and the evolution of the dislocation microstructures show the crucial role of cross-slip played in the strain localization in the form of slip bands. As the cycling proceeds, the slip bands exhibit well-organized dislocation arrangements that substitute to dislocation tangles, involving specific interaction mechanisms between primary and deviate systems. Secondly, both the surface displacements generated by plastic slip and the distortion energy induced by the dislocation microstructure have been analysed. We find that an irreversible surface relief in the form of extrusion/intrusion can be induced by cyclic slip of dislocations. The number of cycles for the crack initiation follows a Manson-Coffin type law. The analyses of the concentration of the distortion energy and its repartition in the slip bands show that beneficial energetic zones may be present at the very beginning of the cycling, and that mode-II crack propagation in the surface grains results from a succession of micro-crack initiations along primary slip plane, which is facilitated by various effects (stress concentration due to surface relief, environment effects...). Finally, a dislocation-based model for cyclic plasticity is proposed from Discrete Dislocation Dynamics results. (author)

  16. Full charge-density calculation of the surface energy of metals

    DEFF Research Database (Denmark)

    Vitos, Levente; Kollár, J..; Skriver, Hans Lomholt

    1994-01-01

    of a spherically symmetrized charge density, while the Coulomb and exchange-correlation contributions are calculated by means of the complete, nonspherically symmetric charge density within nonoverlapping, space-filling Wigner-Seitz cells. The functional is used to assess the convergence and the accuracy......We have calculated the surface energy and the work function of the 4d metals by means of an energy functional based on a self-consistent, spherically symmetric atomic-sphere potential. In this approach the kinetic energy is calculated completely within the atomic-sphere approximation (ASA) by means...... of the linear-muffin-tin-orbitals (LMTO) method and the ASA in surface calculations. We find that the full charge-density functional improves the agreement with recent full-potential LMTO calculations to a level where the average deviation in surface energy over the 4d series is down to 10%....

  17. Influence of particle flux density and temperature on surface modifications of tungsten and deuterium retention

    Energy Technology Data Exchange (ETDEWEB)

    Buzi, Luxherta, E-mail: l.buzi@fz-juelich.de [Ghent University, Department of Applied Physics, Sint-Pietersnieuwstraat 41, B-9000 Ghent (Belgium); FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research, Edisonbaan 14, 3439 MN, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany); Université de Lorraine, Institut Jean Lamour, CNRS UMR 7198, Bvd. des Aiguillettes, F-54506 Vandoeuvre (France); Temmerman, Greg De [FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research, Edisonbaan 14, 3439 MN, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Unterberg, Bernhard; Reinhart, Michael; Litnovsky, Andrey; Philipps, Volker [Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany); Oost, Guido Van [Ghent University, Department of Applied Physics, Sint-Pietersnieuwstraat 41, B-9000 Ghent (Belgium); Möller, Sören [Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany)

    2014-12-15

    Systematic study of deuterium irradiation effects on tungsten was done under ITER – relevant high particle flux density, scanning a broad surface temperature range. Polycrystalline ITER – like grade tungsten samples were exposed in linear plasma devices to two different ranges of deuterium ion flux densities (high: 3.5–7 · 10{sup 23} D{sup +}/m{sup 2} s and low: 9 · 10{sup 21} D{sup +}/m{sup 2} s). Particle fluence and ion energy, respectively 10{sup 26} D{sup +}/m{sup 2} and ∼38 eV were kept constant in all cases. The experiments were performed at three different surface temperatures 530 K, 630 K and 870 K. Experimental results concerning the deuterium retention and surface modifications of low flux exposure confirmed previous investigations. At temperatures 530 K and 630 K, deuterium retention was higher at lower flux density due to the longer exposure time (steady state plasma operation) and a consequently deeper diffusion range. At 870 K, deuterium retention was found to be higher at high flux density according to the thermal desorption spectroscopy (TDS) measurements. While blisters were completely absent at low flux density, small blisters of about 40–50 nm were formed at high flux density exposure. At the given conditions, a relation between deuterium retention and blister formation has been found which has to be considered in addition to deuterium trapping in defects populated by diffusion.

  18. Influence of particle flux density and temperature on surface modifications of tungsten and deuterium retention

    International Nuclear Information System (INIS)

    Buzi, Luxherta; Temmerman, Greg De; Unterberg, Bernhard; Reinhart, Michael; Litnovsky, Andrey; Philipps, Volker; Oost, Guido Van; Möller, Sören

    2014-01-01

    Systematic study of deuterium irradiation effects on tungsten was done under ITER – relevant high particle flux density, scanning a broad surface temperature range. Polycrystalline ITER – like grade tungsten samples were exposed in linear plasma devices to two different ranges of deuterium ion flux densities (high: 3.5–7 · 10 23 D + /m 2 s and low: 9 · 10 21 D + /m 2 s). Particle fluence and ion energy, respectively 10 26 D + /m 2 and ∼38 eV were kept constant in all cases. The experiments were performed at three different surface temperatures 530 K, 630 K and 870 K. Experimental results concerning the deuterium retention and surface modifications of low flux exposure confirmed previous investigations. At temperatures 530 K and 630 K, deuterium retention was higher at lower flux density due to the longer exposure time (steady state plasma operation) and a consequently deeper diffusion range. At 870 K, deuterium retention was found to be higher at high flux density according to the thermal desorption spectroscopy (TDS) measurements. While blisters were completely absent at low flux density, small blisters of about 40–50 nm were formed at high flux density exposure. At the given conditions, a relation between deuterium retention and blister formation has been found which has to be considered in addition to deuterium trapping in defects populated by diffusion

  19. Surface radiant flux densities inferred from LAC and GAC AVHRR data

    Science.gov (United States)

    Berger, F.; Klaes, D.

    To infer surface radiant flux densities from current (NOAA-AVHRR, ERS-1/2 ATSR) and future meteorological (Envisat AATSR, MSG, METOP) satellite data, the complex, modular analysis scheme SESAT (Strahlungs- und Energieflüsse aus Satellitendaten) could be developed (Berger, 2001). This scheme allows the determination of cloud types, optical and microphysical cloud properties as well as surface and TOA radiant flux densities. After testing of SESAT in Central Europe and the Baltic Sea catchment (more than 400scenes U including a detailed validation with various surface measurements) it could be applied to a large number of NOAA-16 AVHRR overpasses covering the globe.For the analysis, two different spatial resolutions U local area coverage (LAC) andwere considered. Therefore, all inferred results, like global area coverage (GAC) U cloud cover, cloud properties and radiant properties, could be intercompared. Specific emphasis could be made to the surface radiant flux densities (all radiative balance compoments), where results for different regions, like Southern America, Southern Africa, Northern America, Europe, and Indonesia, will be presented. Applying SESAT, energy flux densities, like latent and sensible heat flux densities could also be determined additionally. A statistical analysis of all results including a detailed discussion for the two spatial resolutions will close this study.

  20. A thermodynamic perturbation theory for the surface tension and ion density profile of a liquid metal

    International Nuclear Information System (INIS)

    Evans, R.; Kumaravadivel, R.

    1976-01-01

    A simple scheme for determining the ion density profile and the surface tension of a liquid metal is described. Assuming that the interaction between metallic pseudo-ions is of the form introduced by Evans, an approximate expression for the excess free energy of the system is derived using the thermodynamic perturbation theory of Weeks, Chandler and Anderson. This excess free energy is then minimized with respect to a parameter which specifies the ion density profile, and the surface tension is given directly. From a consideration of the dependence of the interionic forces on the electron density it is predicted that the ions should take up a very steep density profile at the liquid metal surface. This behaviour is contrasted with that to be expected for rare-gas fluids in which the interatomic forces are density-independent. The values of the surface tension calculated for liquid Na, K and Al from a simplified version of the theory are in reasonable agreement with experiment. (author)

  1. X-Ray Fluorescence Determination of the Surface Density of Chromium Nanolayers

    Science.gov (United States)

    Mashin, N. I.; Chernjaeva, E. A.; Tumanova, A. N.; Ershov, A. A.

    2014-01-01

    An auxiliary system consisting of thin-film layers of chromium deposited on a polymer film substrate is used to construct calibration curves for the relative intensities of the K α lines of chromium on bulk substrates of different elements as functions of the chromium surface density in the reference samples. Correction coefficients are calculated to take into account the absorption of primary radiation from an x-ray tube and analytical lines of the constituent elements of the substrate. A method is developed for determining the surface density of thin films of chromium when test and calibration samples are deposited on substrates of different materials.

  2. Ab-Initio Simulation of a/2 Screw Dislocations Gamma-TiAl

    National Research Council Canada - National Science Library

    Woodward, C; Rao, S. I

    2004-01-01

    ...The equilibrium core structure of an isolated a/2screw dislocations is calculated using a first-principles pseudopotential-planewave method within the Local Density Approximation of Density Functional Theory...

  3. Analysis of the surface density and reactivity of perfluorophenylazide and the impact on ligand immobilization

    Energy Technology Data Exchange (ETDEWEB)

    Zorn, Gilad, E-mail: zorn@ge.com; Castner, David G. [National ESCA and Surface Analysis Center for Biomedical Problems, Departments of Bioengineering and Chemical Engineering, University of Washington, Box 351653, Seattle, Washington 98195-1653 (United States); Tyagi, Anuradha; Wang, Xin; Wang, Hui; Yan, Mingdi, E-mail: Mingdi-Yan@uml.edu [Department of Chemistry, Portland State University, Portland, Oregon 97207-0751 (United States)

    2015-03-15

    Perfluorophenylazide (PFPA) chemistry is a novel method for tailoring the surface properties of solid surfaces and nanoparticles. It is general and versatile, and has proven to be an efficient way to immobilize graphene, proteins, carbohydrates, and synthetic polymers. The main thrust of this work is to provide a detailed investigation on the chemical composition and surface density of the PFPA tailored surface. Specifically, gold surfaces were treated with PFPA-derivatized (11-mercaptoundecyl)tetra(ethylene glycol) (PFPA-MUTEG) mixed with 2-[2-(2-mercaptoethoxy)ethoxy]ethanol (MDEG) at varying solution mole ratios. Complementary analytical techniques were employed to characterize the resulting films including Fourier transform infrared spectroscopy to detect fingerprints of the PFPA group, x-ray photoelectron spectroscopy and ellipsometry to study the homogeneity and uniformity of the films, and near edge x-ray absorption fine structures to study the electronic and chemical structure of the PFPA groups. Results from these studies show that the films prepared from 90:10 and 80:20 PFPA-MUTEG/MDEG mixed solutions exhibited the highest surface density of PFPA and the most homogeneous coverage on the surface. A functional assay using surface plasmon resonance with carbohydrates covalently immobilized onto the PFPA-modified surfaces showed the highest binding affinity for lectin on the PFPA-MUTEG/MDEG film prepared from a 90:10 solution.

  4. Single-Step Fabrication of High-Density Microdroplet Arrays of Low-Surface-Tension Liquids.

    Science.gov (United States)

    Feng, Wenqian; Li, Linxian; Du, Xin; Welle, Alexander; Levkin, Pavel A

    2016-04-01

    A facile approach for surface patterning that enables single-step fabrication of high-density arrays of low-surface-tension organic-liquid microdroplets is described. This approach enables miniaturized and parallel high-throughput screenings in organic solvents, formation of homogeneous arrays of hydrophobic nanoparticles, polymer micropads of specific shapes, and polymer microlens arrays. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. On verification of a theory in dislocation plasticity

    International Nuclear Information System (INIS)

    Ng, D.H.Y.; Lee, L.H.N.

    1981-01-01

    In the past twenty years, many attempts to unify the theories of macroplasticity and microplasticity in polycrystalline materials have been made. Several major approaches have been suggested namely: the geometrical approach, the analytical approach, the phenomenological approach and the internal variables approach. To verify the plasticity theory based on any one of the above models, detail experimental data including microstructural quantities such as dislocation density, dislocation speed, etc. are required. Unfortunately, there were some difficulties in evaluating dislocation speed and dealing with the term 'mobile fraction' of dislocation density. Therefore, an experimental verification of such plasticity theory has not been made. A dislocation velocity equation based on a thermally activated model is used. A set of plastic strain rate equations for polycrystalline materials formulated by analyzing dislocation dynamics in a statistical approach are presented. In order to evaluate the activation free energy, Gibbs' modified tetragonal distortion model is used together with some measurements obtained from electron micrographs. Experimental results on the dynamic yielding and fracture of 6061-T6 aluminum alloy tubings under biaxial loadings obtained by Ng, Delich and Lee are used. In dealing with 'mobile fraction', Gilman's suggestion is adopted. (orig./HP)

  6. Surface Casimir densities and induced cosmological constant on parallel branes in AdS spacetime

    International Nuclear Information System (INIS)

    Saharian, Aram A.

    2004-01-01

    Vacuum expectation value of the surface energy-momentum tensor is evaluated for a massive scalar field with general curvature coupling parameter subject to Robin boundary conditions on two parallel branes located on (D+1)-dimensional anti-de Sitter bulk. The general case of different Robin coefficients on separate branes is considered. As a regularization procedure the generalized zeta function technique is used, in combination with contour integral representations. The surface energies on the branes are presented in the form of the sums of single brane and second brane-induced parts. For the geometry of a single brane both regions, on the left (L-region) and on the right (R-region), of the brane are considered. The surface densities for separate L- and R-regions contain pole and finite contributions. For an infinitely thin brane taking these regions together, in odd spatial dimensions the pole parts cancel and the total surface energy is finite. The parts in the surface densities generated by the presence of the second brane are finite for all nonzero values of the interbrane separation. It is shown that for large distances between the branes the induced surface densities give rise to an exponentially suppressed cosmological constant on the brane. In the Randall-Sundrum braneworld model, for the interbrane distances solving the hierarchy problem between the gravitational and electroweak mass scales, the cosmological constant generated on the visible brane is of the right order of magnitude with the value suggested by the cosmological observations

  7. Density functional studies: First principles and semiempirical calculations of clusters and surfaces

    International Nuclear Information System (INIS)

    Sinnott, S.B.

    1993-01-01

    In the research presented here, various theoretical electronic structure techniques are utilized to analyze widely different systems from silicon clusters to transition metal solids and surfaces. For the silicon clusters, first principles density functional methods are used to investigate Si N for N = 2-8. The goal is to understand the different types of bonding that can occur in such small clusters where the coordination of the atoms differs substantially from that of the stable bulk tetrahedral bonding. Such uncoordinated structures can provide a good test of more approximate theories that can be used eventually to model silicon surfaces, of obvious technological importance. For the transition metal systems, non-self-consistent electronic structure methods are used to provide an understanding of the driving force for surface relaxations. An in-depth analysis of the results is presented and the physical basis of surface relaxation within the theory is discussed. In addition, the limitations inherent in calculations of metal surface relaxation are addressed. Finally, in an effort to increase understanding of approximate methods, a novel non-self-consistent density functional electronic structure method is developed that is ∼1000 times faster computationally than more sophisticated methods. This new method is tested for a variety of systems including diatomics, mixed clusters, surfaces and bulk lattices. The strengths and weaknesses of the new theory are discussed in detail, leading to greater understanding of non-self-consistent density functional theories as a whole

  8. The formation of super-dislocation/micropipe complexes in 6H-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Giocondi, J.; Rohrer, G.S.; Skowronski, M. [Carnegie Mellon Univ., Pittsburgh, PA (United States). Dept. of Materials Science and Engineering; Balakrishna, V.; Augustine, G.; Hobgood, H.McD.; Hopkins, R.H. [Northrop Grumman Science and Technology Center, Pittsburgh PA (United States)

    1998-06-01

    Atomic force microscope images of surface/micropipe intersections on the (0001) growth surface of a 6H-SiC single crystal grown by the physical vapor transport method indicate that micropipes are associated with super-dislocations and that micron-scale deposits of a heterogeneous phase are frequently found in the vicinity of the defect. Based on our observations, we propose a model for the formation of super-dislocation/micropipe complexes that involves the coalescence of unit screw dislocations. The unit dislocations are forced together as large steps grow around heterogeneous material on the surface. (orig.) 5 refs.

  9. Surface effects on mean inner potentials studied using density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Pennington, Robert S., E-mail: robert.pennington@uni-ulm.de [Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm (Germany); Boothroyd, Chris B.; Dunin-Borkowski, Rafal E. [Ernst Ruska-Centre and Peter Grüneberg Institute, Forschungzentrum Jülich, 52425 Jülich (Germany)

    2015-12-15

    Quantitative materials characterization using electron holography frequently requires knowledge of the mean inner potential, but reported experimental mean inner potential measurements can vary widely. Using density functional theory, we have simulated the mean inner potential for materials with a range of different surface conditions and geometries. We use both “thin-film” and “nanowire” specimen geometries. We consider clean bulk-terminated surfaces with different facets and surface reconstructions using atom positions from both structural optimization and experimental data and we also consider surfaces both with and without adsorbates. We find that the mean inner potential is surface-dependent, with the strongest dependency on surface adsorbates. We discuss the outlook and perspective for future mean inner potential measurements. - Highlights: • Density functional theory (DFT) is used to simulate mean inner potentials (MIP). • Applications for MIP electron holography measurements are considered. • MIPs are found to be surface-dependent, for thin-film and nanowire geometries. • The DFT simulation precision is extensively tested for multiple materials. • Surface adsorbates can create a strong positive or negative effect.

  10. Behavior of misfit dislocations in semipolar InGaN/GaN grown by MOVPE

    Energy Technology Data Exchange (ETDEWEB)

    Kuwahara, Takaaki [Department of Applied Science for Electronics and Materials, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan); Kuwano, Noriyuki [Department of Applied Science for Electronics and Materials, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan); Art, Science and Technology Center for Cooperative Research, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan); Kurisu, Akihiko; Okada, Narihito; Tadatomo, Kazuyuki [Graduate School of Science and Engineering, Yamaguchi University, Ube, Yamaguchi 755-8611 (Japan)

    2012-03-15

    A microstructure in an InGaN/GaN layer grown at the semipolar direction was observed in detail by means of transmission electron microscopy (TEM) in order to analyze the behaviour of dislocations. A (11 anti 22) GaN layer was first deposited on a maskless r (1 anti 102)-plane patterned-substrate, and then an In{sub x} Ga{sub 1-x}N (x =0.10, 0.24) was overgrown to be about 1 {mu}m in thickness. Dislocations near the interface of InGaN/GaN are classified into several types: 1 Threading dislocations lying on (0001). 2. Misfit dislocations lying on the interface of InGaN/GaN. 3. Dislocations along [1 anti 100] at a certain distance from the interface. 4. Dislocations newly formed at the interface and developing along [11 anti 20] on (0001). 5. Partial dislocations accompanied with a stacking fault on (0001). It was found that the misfit dislocations are arrayed in pairs at the direction along [1 anti 100] on the interface of (11 anti 22). Burgers vector of the misfit dislocations was found to be B = <2 anti 1 anti 13>/3. In case of B = [ anti 1 anti 123]/3, they are edge dislocations. The densities of dislocations and stacking faults increase with the In-content in InGaN. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. Estimating the amount and distribution of radon flux density from the soil surface in China

    International Nuclear Information System (INIS)

    Zhuo Weihai; Guo Qiuju; Chen Bo; Cheng Guan

    2008-01-01

    Based on an idealized model, both the annual and the seasonal radon ( 222 Rn) flux densities from the soil surface at 1099 sites in China were estimated by linking a database of soil 226 Ra content and a global ecosystems database. Digital maps of the 222 Rn flux density in China were constructed in a spatial resolution of 25 km x 25 km by interpolation among the estimated data. An area-weighted annual average 222 Rn flux density from the soil surface across China was estimated to be 29.7 ± 9.4 mBq m -2 s -1 . Both regional and seasonal variations in the 222 Rn flux densities are significant in China. Annual average flux densities in the southeastern and northwestern China are generally higher than those in other regions of China, because of high soil 226 Ra content in the southeastern area and high soil aridity in the northwestern one. The seasonal average flux density is generally higher in summer/spring than winter, since relatively higher soil temperature and lower soil water saturation in summer/spring than other seasons are common in China

  12. Surface density: a new parameter in the fundamental metallicity relation of star-forming galaxies

    Science.gov (United States)

    Hashimoto, Tetsuya; Goto, Tomotsugu; Momose, Rieko

    2018-04-01

    Star-forming galaxies display a close relation among stellar mass, metallicity, and star formation rate (or molecular-gas mass). This is known as the fundamental metallicity relation (FMR) (or molecular-gas FMR), and it has a profound implication on models of galaxy evolution. However, there still remains a significant residual scatter around the FMR. We show here that a fourth parameter, the surface density of stellar mass, reduces the dispersion around the molecular-gas FMR. In a principal component analysis of 29 physical parameters of 41 338 star-forming galaxies, the surface density of stellar mass is found to be the fourth most important parameter. The new 4D fundamental relation forms a tighter hypersurface that reduces the metallicity dispersion to 50 per cent of that of the molecular-gas FMR. We suggest that future analyses and models of galaxy evolution should consider the FMR in a 4D space that includes surface density. The dilution time-scale of gas inflow and the star-formation efficiency could explain the observational dependence on surface density of stellar mass.

  13. Surface of Maximums of AR(2 Process Spectral Densities and its Application in Time Series Statistics

    Directory of Open Access Journals (Sweden)

    Alexander V. Ivanov

    2017-09-01

    Conclusions. The obtained formula of surface of maximums of noise spectral densities gives an opportunity to realize for which values of AR(2 process characteristic polynomial coefficients it is possible to look for greater rate of convergence to zero of the probabilities of large deviations of the considered estimates.

  14. Density, viscosity and surface tension of liquid phase Beckmann rearrangement mixtures

    NARCIS (Netherlands)

    Zuidhof, K.T.; Croon, de M.H.J.M.; Schouten, J.C.; Tinge, J.T.

    2015-01-01

    We have determined the density, dynamic viscosity, and surface tension of liquid phase Beckmann rearrangement mixtures, consisting of e-caprolactam and fuming oleum. These important properties have been measured in wide ranges of both temperature and molar ratios of acid and e-caprolactam, covering

  15. Inversion of gravity and gravity gradiometry data for density contrast surfaces using Cauchy-type integrals

    DEFF Research Database (Denmark)

    Zhdanov, Michael; Cai, Hongzhu

    2014-01-01

    We introduce a new method of modeling and inversion of potential field data generated by a density contrast surface. Our method is based on 3D Cauchy-type integral representation of the potential fields. Traditionally, potential fields are calculated using volume integrals of the domains occupied...

  16. Covalent Coupling of Nanoparticles with Low-Density Functional Ligands to Surfaces via Click Chemistry

    NARCIS (Netherlands)

    Rianasari, I.; de Jong, Machiel Pieter; Huskens, Jurriaan; van der Wiel, Wilfred Gerard

    2013-01-01

    We demonstrate the application of the 1,3-dipolar cycloaddition (“click‿ reaction) to couple gold nanoparticles (Au NPs) functionalized with low densities of functional ligands. The ligand coverage on the citrate-stabilized Au NPs was adjusted by the ligand:Au surface atom ratio, while maintaining

  17. Dislocation structure evolution and characterization in the compression deformed Mn-Cu alloy

    International Nuclear Information System (INIS)

    Zhong, Y.; Yin, F.; Sakaguchi, T.; Nagai, K.; Yang, K.

    2007-01-01

    Dislocation densities and dislocation structure arrangements in cold compressed polycrystalline commercial M2052 (Mn-20Cu-5Ni-2Fe) high damping alloy with various strains were determined in scanning mode by X-ray peak profile analysis and electron backscatter diffraction (EBSD). The results indicate that the Mn-Cu-Ni-Fe alloy has an evolution behavior quite similar to the dislocation structure in copper. The dislocation arrangement parameter shows a local minimum in the transition range between stages III and IV that can be related to the transformation of the dislocation arrangement in the cell walls from a polarized dipole wall (PDW) into a polarized tile wall (PTW) structure. This evolution is further confirmed by the results of local misorientation determined by EBSD. In addition, during deformation, the multiplication of dislocation densities in the MnCu alloy is significantly slower than that in copper, and the transition of the dislocation structure is strongly retarded in the MnCu alloy compared with copper. These results can be explained by the mechanism of elastic anisotropy on the dislocation dynamics, as the elastic anisotropy in the MnCu alloy is larger than that in copper, which can strongly retard the multiplication of the dislocation population and the transformation of the dislocation structure. These results are important for research into the plastic working behavior of Mn-Cu-Ni-Fe high damping alloy

  18. Nature of Dislocations in Silicon

    DEFF Research Database (Denmark)

    Hansen, Lars Bruno; Stokbro, Kurt; Lundqvist, Bengt

    1995-01-01

    Interaction between two partial 90 degrees edge dislocations is studied with atomic-scale simulations using the effective-medium tight-binding method. A large separation between the two dislocations (up to 30 Angstrom), comparable to experimental values, is achieved with a solution of the tight-b...

  19. Traumatic hip dislocations in children

    International Nuclear Information System (INIS)

    Minhas, M.S.

    2010-01-01

    Objectives: To evaluate clinical features, treatment and relationship to the time period between dislocation, reduction and early complications of traumatic dislocation of hip in children. Methods: Case series conducted at Jinnah Post Graduate Medical Centre Karachi from July 2005 to August 2009. Children with traumatic hip dislocation up to fifteen years of age who presented in last four years were included in this study. Their clinical information, etiology, associated injuries, duration, method of reduction and early complications are evaluated through emergency room proforma and indoor record. Follow up of patient was updated in outpatient department. Results: We had eight patients, six boys and two girls. Youngest 2.4 years and eldest was 12 years with mean age of 6.2 +- 3.8 years. All presented with posterior hip dislocation. Etiology was road traffic accident in two and history of fall in remaining six patients. Average duration of time between dislocation and reduction was 19 hours range 3-72 hours. Dislocated hips were reduced under General Anaesthesia in two patients and under sedation analgesia in six patients. No complications were noted in eight cases with mean 18.75 +- 13.23 months follows up. Conclusion: Traumatic hip dislocation in children is not rare. Slight trauma causes dislocation in younger age and immediate closed reduction and Immobilization reduces complications. (author

  20. Surface density mapping of natural tissue by a scanning haptic microscope (SHM).

    Science.gov (United States)

    Moriwaki, Takeshi; Oie, Tomonori; Takamizawa, Keiichi; Murayama, Yoshinobu; Fukuda, Toru; Omata, Sadao; Nakayama, Yasuhide

    2013-02-01

    To expand the performance capacity of the scanning haptic microscope (SHM) beyond surface mapping microscopy of elastic modulus or topography, surface density mapping of a natural tissue was performed by applying a measurement theory of SHM, in which a frequency change occurs upon contact of the sample surface with the SHM sensor - a microtactile sensor (MTS) that vibrates at a pre-determined constant oscillation frequency. This change was mainly stiffness-dependent at a low oscillation frequency and density-dependent at a high oscillation frequency. Two paragon examples with extremely different densities but similar macroscopic elastic moduli in the range of natural soft tissues were selected: one was agar hydrogels and the other silicon organogels with extremely low (less than 25 mg/cm(3)) and high densities (ca. 1300 mg/cm(3)), respectively. Measurements were performed in saline solution near the second-order resonance frequency, which led to the elastic modulus, and near the third-order resonance frequency. There was little difference in the frequency changes between the two resonance frequencies in agar gels. In contrast, in silicone gels, a large frequency change by MTS contact was observed near the third-order resonance frequency, indicating that the frequency change near the third-order resonance frequency reflected changes in both density and elastic modulus. Therefore, a density image of the canine aortic wall was subsequently obtained by subtracting the image observed near the second-order resonance frequency from that near the third-order resonance frequency. The elastin-rich region had a higher density than the collagen-rich region.

  1. Test data on electrical contacts at high surface velocities and high current densities for homopolar generators

    International Nuclear Information System (INIS)

    Brennan, M.; Tolk, K.M.; Weldon, W.F.; Rylander, H.G.; Woodson, H.H.

    1977-01-01

    Test data is presented for one grade of copper graphite brush material, Morganite CMlS, over a wide range of surface velocities, atmospheres, and current densities that are expected for fast discharge (<100 ms) homopolar generators. The brushes were run on a copper coated 7075-T6 aluminum disk at surface speeds up to 277 m/sec. One electroplated copper and three flame sprayed copper coatings were used during the tests. Significant differences in contact voltage drops and surface mechanical properties of the copper coatings were observed

  2. Surface tension and density of liquid In-Sn-Zn alloys

    Science.gov (United States)

    Pstruś, Janusz

    2013-01-01

    Using the dilatometric method, measurements of the density of liquid alloys of the ternary system In-Sn-Zn in four sections with a constant ratio Sn:In = 24:1, 3:1, 1:1, 1:3, for various Zn additions (5, 10, 14, 20, 3 5, 50 and 75 at.% Zn) were performed at the temperature ranges of 500-1150 K. Density decreases linearly for all compositions. The molar volume calculated from density data exhibits close to ideal dependence on composition. Measurements of the surface tension of liquid alloys have been conducted using the method of maximum pressure in the gas bubbles. There were observed linear dependences on temperature with a negative gradients dσ/dT. Generally, with two exceptions, there was observed the increase of surface tension with increasing content of zinc. Using the Butler's model, the surface tension isotherms were calculated for temperatures T = 673 and 1073 K. Calculations show that only for high temperatures and for low content of zinc (up to about 35 at.%), the modeling is in very good agreement with experiment. Using the mentioned model, the composition of the surface phase was defined at two temperatures T = 673 and 973 K. Regardless of the temperature and of the defined section, the composition of the bulk is very different in comparison with the composition of the surface.

  3. Deposition of thin films and surface modification by pulsed high energy density plasma

    International Nuclear Information System (INIS)

    Yan Pengxun; Yang Size

    2002-01-01

    The use of pulsed high energy density plasma is a new low temperature plasma technology for material surface treatment and thin film deposition. The authors present detailed theoretical and experimental studies of the production mechanism and physical properties of the pulsed plasma. The basic physics of the pulsed plasma-material interaction has been investigated. Diagnostic measurements show that the pulsed plasma has a high electron temperature of 10-100 eV, density of 10 14 -10 16 cm -3 , translation velocity of ∼10 -7 cm/s and power density of ∼10 4 W/cm 2 . Its use in material surface treatment combines the effects of laser surface treatment, electron beam treatment, shock wave bombardment, ion implantation, sputtering deposition and chemical vapor deposition. The metastable phase and other kinds of compounds can be produced on low temperature substrates. For thin film deposition, a high deposition ratio and strong film to substrate adhesion can be achieved. The thin film deposition and material surface modification by the pulsed plasma and related physical mechanism have been investigated. Thin film c-BN, Ti(CN), TiN, DLC and AlN materials have been produced successfully on various substrates at room temperature. A wide interface layer exists between film and substrate, resulting in strong adhesion. Metal surface properties can be improved greatly by using this kind of treatment

  4. Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

    Science.gov (United States)

    Ge, Zhenpeng; Wang, Yi

    2017-04-20

    Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

  5. Pressure and surface tension of solid-liquid interface using Tara zona density functional theory

    International Nuclear Information System (INIS)

    Moradi, M.; Kavosh Tehrani, M.

    2001-01-01

    The weighted density functional theory proposed by Tara zona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this research we study a hard sphere fluid beside a hard wall. For this study the liquid is an inhomogeneous system. We use the definition of the direct correlation function as a second derivative of free energy with respect to the density. We use this definition and the definition of the weighting function, then we minimize the grand potential with respect to the density to get the Euler Lagrange equation and we obtain an integral equation to find the inhomogeneous density profile. The obtained density profile as a function of the distance from the wall, for different bulk density is pitted in three dimensions. We also calculate the pressure and compare it with the Carnahan-Starling results, and finally we obtained the surface tension at liquid-solid interface and compared it with the results of Monte Carlo simulation

  6. Pressure and surface tension of soild-liquid interface using Tarazona density functional theory

    Directory of Open Access Journals (Sweden)

    M. M.

    2000-12-01

    Full Text Available   The weighted density functional theory proposed by Tarazona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this resarch we study a hard sphere fluid beside a hard wall. For this study the liquid is an inhomogeneous system. We use the definition of the direct correlation function as a second derivative of free energy with respect to the density. We use this definition and the definition of the weighting function, then we minimize the grand potential with respect to the density to get the Euler Lagrange equation and we obtain an integral equation to find the inhomogeneous density profile. The obtained density profile as a function of the distance from the wall, for different bulk density is plotted in three dimensions. We also calculate the pressure and compare it with the Carnahan-starling results, and finally we obtained the surface tension at liquid-solid interface and compared it with the results of Monte Carlo simulation.

  7. Density and surface tension of melts of zirconium and hafnium fluorides with lithium fluoride

    International Nuclear Information System (INIS)

    Katyshev, S.F.; Artemov, V.V.; Desyatnik, V.N.

    1988-01-01

    A study was conducted to determine the temperature dependence of the density and surface tension of melts of LiF-ZrF 4 and LiF-HfF 4 . Density and surface tension were determined by the method of maximum pressure in an argon bubble. On the basis of experimental data over the entire concentration range the molar volumes and their relative deviations from the additive molar volumes were calculated for 1100 0 K. The positive deviations of the molar volumes from additivity in the LiF-HfF 4 system (22.45%) were greater than in the LiF-ZrF 4 system (15.75%). This indicated that the reaction with lithium fluoride is intensified with the switch to the hafnium fluoride. Results also demonstrated that the fluorides are surface-active components in the molten mixtures

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

    Science.gov (United States)

    Yang, Xiuli; Fang, Qing; Ouyang, Hui

    2018-06-01

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

  9. A density functional theory study of the TMG adsorption on the GaN surface

    Energy Technology Data Exchange (ETDEWEB)

    Ptasinska, Maria; Soltys, Jakub; Piechota, Jacek [Interdisciplinary Centre for Materials Modelling, University of Warsaw, ul. Pawinskiego 5a, 02-106 Warszawa (Poland); Krukowski, Stanislaw [Interdisciplinary Centre for Materials Modelling, University of Warsaw, ul. Pawinskiego 5a, 02-106 Warszawa (Poland); Institute of High Pressure Physics, Polish Academy of Sciences, ul. Sokolowska 29/37, 01-142 Warsaw (Poland)

    2011-07-01

    TMG (trimetylogallium) and NH{sub 3} (ammonia) are widely used reactants in the metal organic chemical vapor deposition (MOCVD) technique used in the growth of the GaN thin films. We have recently examined theoretically, with the help of the density functional theory (DFT), TMG adsorption on the GaN(0001) surface in order to study formation of bonds between Ga and N. Dangling bonds on the GaN(0001) surface were saturated with the hydrogen atoms. The slab polarization, which is due to the dangling bonds present on the GaN(0001) surface, and energy of the system in the vicinity of TMG was computed for different distances between the surface atoms and TMG. We also studied TMG diffusion on the GaN surface. As a result, the energy path for diffusion from Top N to Hollow was obtained.

  10. Slip-band formation and dislocation kinetics in the stage I deformation of neutron-irradiated copper single crystals

    International Nuclear Information System (INIS)

    Kitajima, Sadakichi; Shinohara, Kazutoshi; Kutsuwada, Masanori

    1995-01-01

    The velocity of edge and screw dislocations moving in primary slip bands and the formation rate of primary slip bands were measured in stage I deformation of neutron-irradiated copper single crystals at different strain rates at room temperature using micro-cinematography and optical micrography. The average velocity of edge dislocations was larger at least by one order than that of screw ones, and that of screw dislocations did not depend so strongly on strain rate. The formation rate of primary slip bands was proportional to strain rate. From these results, it is concluded that (1) jogs produced on moving dislocations by cutting dislocation loops result in the difference in velocity between edge and screw dislocations and (2) the change in the density of mobile dislocations as well as velocity of dislocations is responsible for the change of plastic strain rate of a crystal. (author)

  11. Dislocation structure evolution in 304L stainless steel and weld joint during cyclic plastic deformation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hao; Jing, Hongyang; Zhao, Lei; Han, Yongdian; Lv, Xiaoqing [School of Materials Science and Engineering, Tianjin University, Tianjin 300072 (China); Tianjin Key Laboratory of Advanced Joining Technology, Tianjin 300072 (China); Xu, Lianyong, E-mail: xulianyong@tju.edu.cn [School of Materials Science and Engineering, Tianjin University, Tianjin 300072 (China); Tianjin Key Laboratory of Advanced Joining Technology, Tianjin 300072 (China)

    2017-04-06

    Dislocation structures and their evolution of 304L stainless steel and weld metal made with ER308L stainless steel welding wire subjected to uniaxial symmetric strain-controlled loading and stress-controlled ratcheting loading were observed by transmission electron microscopy (TEM). The correlation between the cyclic response and the dislocation structure has been studied. The experiment results show that the cyclic behaviour of base metal and weld metal are different. The cyclic behaviour of the base metal consists of primary hardening, slight softening and secondary hardening, while the weld metal shows a short hardening within several cycles followed by the cyclic softening behaviour. The microscopic observations indicate that in base metal, the dislocation structures evolve from low density patterns to those with higher dislocation density during both strain cycling and ratcheting deformation. However, the dislocation structures of weld metal change oppositely form initial complicated structures to simple patterns and the dislocation density gradually decrease. The dislocation evolution presented during the strain cycling and ratcheting deformation is summarized, which can qualitatively explain the cyclic behaviour and the uniaxial ratcheting behaviour of two materials. Moreover, the dislocation evolution in the two types of tests is compared, which shows that the mean stress has an effect on the rate of dislocation evolution during the cyclic loading.

  12. Near-surface bulk densities of asteroids derived from dual-polarization radar observations

    Science.gov (United States)

    Virkki, A.; Taylor, P. A.; Zambrano-Marin, L. F.; Howell, E. S.; Nolan, M. C.; Lejoly, C.; Rivera-Valentin, E. G.; Aponte, B. A.

    2017-09-01

    We present a new method to constrain the near-surface bulk density and surface roughness of regolith on asteroid surfaces using planetary radar measurements. The number of radar observations has increased rapidly during the last five years, allowing us to compare and contrast the radar scattering properties of different small-body populations and compositional types. This provides us with new opportunities to investigate their near-surface physical properties such as the chemical composition, bulk density, porosity, or the structural roughness in the scale of centimeters to meters. Because the radar signal can penetrate into a planetary surface up to a few decimeters, radar can reveal information that is hidden from other ground-based methods, such as optical and infrared measurements. The near-surface structure of asteroids and comets in centimeter-to-meter scale is essential information for robotic and human space missions, impact threat mitigation, and understanding the history of these bodies as well as the formation of the whole Solar System.

  13. Lowering the density of electronic defects on organic-functionalized Si(100) surfaces

    International Nuclear Information System (INIS)

    Peng, Weina; DeBenedetti, William J. I.; Kim, Seonjae; Chabal, Yves J.; Hines, Melissa A.

    2014-01-01

    The electrical quality of functionalized, oxide-free silicon surfaces is critical for chemical sensing, photovoltaics, and molecular electronics applications. In contrast to Si/SiO 2 interfaces, the density of interface states (D it ) cannot be reduced by high temperature annealing because organic layers decompose above 300 °C. While a reasonable D it is achieved on functionalized atomically flat Si(111) surfaces, it has been challenging to develop successful chemical treatments for the technologically relevant Si(100) surfaces. We demonstrate here that recent advances in the chemical preparation of quasi-atomically-flat, H-terminated Si(100) surfaces lead to a marked suppression of electronic states of functionalized surfaces. Using a non-invasive conductance-voltage method to study functionalized Si(100) surfaces with varying roughness, a D it as low as 2.5 × 10 11  cm −2 eV −1 is obtained for the quasi-atomically-flat surfaces, in contrast to >7 × 10 11  cm −2 eV −1 on atomically rough Si(100) surfaces. The interfacial quality of the organic/quasi-atomically-flat Si(100) interface is very close to that obtained on organic/atomically flat Si(111) surfaces, opening the door to applications previously thought to be restricted to Si(111)

  14. Infantile and congenital hip dislocation: Assessment by MR imaging

    International Nuclear Information System (INIS)

    Johnson, N.D.; Wood, B.P.; Jackman, K.V.

    1986-01-01

    Dislocations of the infant hip, particularly those that responded poorly to standard treatment, were imaged using a 1.5-T MR imaging unit. Excellent detail of the cartilaginous structures of the femoral head, acetabulum, labrum, pulvinar, and capsular abnormalities was achieved. The most detailed images were obtained using a 3-inch surface coil. The shape and orientation of the acetabulum and femoral head cannot otherwise be as well evaluated, nor can their relationship be as clearly established. Technical factors and considerations of imaging with a 1.5-T magnet, the anatomy of the normal and dislocated hip, and observed variations in acetabular shape and orientation are discussed. MR imaging reliably demonstrates dislocation, and the prolonged T2 of synovial fluid produced an ''arthrogram'' effect, which is useful in the treatment of complicated hip dislocation

  15. Novel method for the simultaneous estimation of density and surface tension of liquids

    International Nuclear Information System (INIS)

    Thirunavukkarasu, G.; Srinivasan, G.J.

    2003-01-01

    The conventional Hare's apparatus generally used for the determination of density of liquids has been modified by replacing its vertical arms (glass tubes) with capillary tubes of 30 cm length and 0.072 cm diameter. When the columns of liquids are drawn through the capillary tubes with reduced pressure at the top of the liquid columns and kept at equilibrium with the atmospheric pressure acting on the liquid surface outside the capillary tubes, the downward pressure due to gravity of the liquid columns has to be coupled with the pressure arising due to the effect of surface tension of the liquids. A fresh expression for the density and surface tension of liquids has been arrived at while equating the pressure balancing system for the two individual liquid columns of the modified Hare's apparatus. The experimental results showed that the proposed method is precise and accurate in the simultaneous estimation of density and surface tension of liquids, with an error of less than 5%

  16. A dislocation-based crystal viscoplasticity model with application to micro-engineered plasma-facing materials

    Energy Technology Data Exchange (ETDEWEB)

    Rivera, David; Huang, Yue; Po, Giacomo; Ghoniem, Nasr M., E-mail: ghoniem@ucla.edu

    2017-03-15

    Materials developed with special surface architecture are shown here to be more resilient to the transient thermomechanical environments imposed by intermittent exposures to high heat flux thermal loading typical of long-pulse plasma transients. In an accompanying article, we present experimental results that show the relaxation of residual thermal stresses in micro-engineered W surfaces. A dislocation-based model is extended here within the framework of large deformation crystal plasticity. The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces composed of a uniform density of micro-pillars. The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. Residual stresses generated by cyclic thermomechanical loading of these architectures show that the surface can be in a compressive stress state, following a short shakedown plasma exposure, thus mitigating surface fracture. - • Materials developed with special surface architecture are shown to be more resilient to the transient thermomechanical plasma transients. • A dislocation-based model is extended within the framework of large deformation crystal plasticity. • The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces. • The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. • Residual stresses generated by cyclic thermomechanical loading show that the surface can be in a compressive stress state, thus mitigating surface fracture.

  17. A dislocation-based crystal viscoplasticity model with application to micro-engineered plasma-facing materials

    International Nuclear Information System (INIS)

    Rivera, David; Huang, Yue; Po, Giacomo; Ghoniem, Nasr M.

    2017-01-01

    Materials developed with special surface architecture are shown here to be more resilient to the transient thermomechanical environments imposed by intermittent exposures to high heat flux thermal loading typical of long-pulse plasma transients. In an accompanying article, we present experimental results that show the relaxation of residual thermal stresses in micro-engineered W surfaces. A dislocation-based model is extended here within the framework of large deformation crystal plasticity. The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces composed of a uniform density of micro-pillars. The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. Residual stresses generated by cyclic thermomechanical loading of these architectures show that the surface can be in a compressive stress state, following a short shakedown plasma exposure, thus mitigating surface fracture. - • Materials developed with special surface architecture are shown to be more resilient to the transient thermomechanical plasma transients. • A dislocation-based model is extended within the framework of large deformation crystal plasticity. • The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces. • The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. • Residual stresses generated by cyclic thermomechanical loading show that the surface can be in a compressive stress state, thus mitigating surface fracture.

  18. Molecular simulation insights on the in vacuo adsorption of amino acids on graphene oxide surfaces with varying surface oxygen densities

    Energy Technology Data Exchange (ETDEWEB)

    Rahmani, Farzin; Nouranian, Sasan, E-mail: sasan@olemiss.edu; Mahdavi, Mina [University of Mississippi, Department of Chemical Engineering (United States); Al-Ostaz, Ahmed [University of Mississippi, Department of Civil Engineering (United States)

    2016-11-15

    In this fundamental study, a series of molecular dynamics simulations were performed in vacuo to investigate the energetics and select geometries of 20 standard amino acids (AAs) on pristine graphene (PG) and graphene oxide (GO) surfaces as a function of graphene surface oxygen density. These interactions are of key interest to graphene/biomolecular systems. Our results indicate that aromatic AAs exhibit the strongest total interactions with the PG surfaces due to π-π stacking. Tryptophan (Trp) has the highest aromaticity due to its indole side chain and, hence, has the strongest interaction among all AAs (−16.66 kcal/mol). Aliphatic, polar, and charged AAs show various levels of affinity to the PG sheets depending on the strength of their side chain hydrophobic interactions. For example, arginine (Arg) with its guanidinium side chain exhibits the strongest interaction with the PG sheets (−13.81 kcal/mol) following aromatic AAs. Also, glycine (Gly; a polar AA) has the weakest interaction with the PG sheets (−7.29 kcal/mol). When oxygen-containing functional groups are added to the graphene sheets, the π-π stacking in aromatic AAs becomes disrupted and perfect parallelism of the aromatic rings is lost. Moreover, hydrogen bonding and/or electrostatic interactions become more pronounced. Charged AAs exhibit the strongest interactions with the GO surfaces. In general, the AA-GO interactions increase with increasing surface oxygen density, and the effect is more pronounced at higher O/C ratios. This study provides a quantitative measure of AA-graphene interactions for the design and tuning of biomolecular systems suitable for biosensing, drug delivery, and gene delivery applications.

  19. Calculation of gamma-ray flux density above the Venus and Earth surfaces

    International Nuclear Information System (INIS)

    Surkov, Yu.A.; Manvelyan, O.S.

    1987-01-01

    Calculational results of dependence of flux density of nonscattered gamma-quanta on the height above the Venus and Earth planet surfaces are presented in the paper. Areas, where a certain part of gamma quanta is accumulated, are calaculted for each height. Spectra of scattered gamma quanta and their integral fluxes at different heights above the Venera planet surface are calculated. Effect of the atmosphere on gamma radiation recorded is considered. The results obtained allow to estimate optimal conditions for measuring gamma-fields above the Venus and Earth planet surfaces, to determine the area of the planet surface investigated. They are also necessary to determine the elementary composition of the rock according to the characteristic gamma radiation spectrum recorded

  20. Exploring the surface reactivity of 3d metal endofullerenes: a density-functional theory study.

    Science.gov (United States)

    Estrada-Salas, Rubén E; Valladares, Ariel A

    2009-09-24

    Changes in the preferential sites of electrophilic, nucleophilic, and radical attacks on the pristine C60 surface with endohedral doping using 3d transition metal atoms were studied via two useful reactivity indices, namely the Fukui functions and the molecular electrostatic potential. Both of these were calculated at the density functional BPW91 level of theory with the DNP basis set. Our results clearly show changes in the preferential reactivity sites on the fullerene surface when it is doped with Mn, Fe, Co, or Ni atoms, whereas there are no significant changes in the preferential reactivity sites on the C60 surface upon endohedral doping with Cu and Zn atoms. Electron affinities (EA), ionization potentials (IP), and HOMO-LUMO gaps (Eg) were also calculated to complete the study of the endofullerene's surface reactivity. These findings provide insight into endofullerene functionalization, an important issue in their application.

  1. Simultaneous measurements of work function and H‒ density including caesiation of a converter surface

    Science.gov (United States)

    Cristofaro, S.; Friedl, R.; Fantz, U.

    2017-08-01

    Negative hydrogen ion sources rely on the surface conversion of neutral atomic hydrogen and positive hydrogen ions to H-. The efficiency of this process depends on the actual work function of the converter surface. By introducing caesium into the source the work function decreases, enhancing the negative ion yield. In order to study the impact of the work function on the H- surface production at similar conditions to the ones in ion sources for fusion devices like ITER and DEMO, fundamental investigations are performed in a flexible laboratory experiment. The work function of the converter surface can be absolutely measured by photoelectric effect, while a newly installed cavity ring-down spectroscopy system (CRDS) measures the H- density. The CRDS is firstly tested and characterized by investigations on H- volume production. Caesiation of a stainless steel sample is then performed in vacuum and the plasma effect on the Cs layer is investigated also for long plasma-on times. A minimum work function of (1.9±0.1) eV is reached after some minutes of plasma treatment, resulting in a reduction by a value of 0.8 eV compared to vacuum measurements. The H- density above the surface is (2.1±0.5)×1015 m-3. With further plasma exposure of the caesiated surface, the work function increases up to 3.75 eV, due to the impinging plasma particles which gradually remove the Cs layer. As a result, the H- density decreases by a factor of at least 2.

  2. Engineering the size and density of silicon agglomerates by controlling the initial surface carbonated contamination

    Energy Technology Data Exchange (ETDEWEB)

    Borowik, Ł., E-mail: Lukasz.Borowik@cea.fr [CEA, LETI, MINATEC Campus, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France); Chevalier, N.; Mariolle, D.; Martinez, E.; Bertin, F.; Chabli, A.; Barbé, J.-C. [CEA, LETI, MINATEC Campus, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France)

    2013-04-01

    Actually, thermally induced thin-films dewetting silicon in the silicon-on-insulator is a way to obtain silicon agglomerates with a size and a density fixed by the silicon film thickness. In this paper we report a new method to monitor both the size and the density of the Si agglomerates thanks to the deposition of a carbon-like layer. We show that using a 5-nm thick layer of silicon and additional ≤1-nm carbonated layer; we obtain agglomerates sizes ranging from 35 nm to 60 nm with respectively an agglomerate density ranging from 38 μm{sup −2} to 18 μm{sup −2}. Additionally, for the case of strained silicon films an alternative dewetting mechanism can be induced by monitoring the chemical composition of the sample surface.

  3. Surface flux density distribution characteristics of bulk high-Tc superconductor in external magnetic field

    International Nuclear Information System (INIS)

    Torii, S.; Yuasa, K.

    2004-01-01

    Various magnetic levitation systems using oxide superconductors are developed as strong pinning forces are obtained in melt-processed bulk. However, the trapped flux of superconductor is moved by flux creep and fluctuating magnetic field. Therefore, to examine the internal condition of superconductor, the authors measure the dynamic surface flux density distribution of YBCO bulk. Flux density measurement system has a structure with the air-core coil and the Hall sensors. Ten Hall sensors are arranged in series. The YBCO bulk, which has 25 mm diameter and 13 mm thickness, is field cooled by liquid nitrogen. After that, magnetic field is changed by the air-core coil. This paper describes about the measured results of flux density distribution of YBCO bulk in the various frequencies of air-core coils currents

  4. Surface flux density distribution characteristics of bulk high- Tc superconductor in external magnetic field

    Science.gov (United States)

    Torii, S.; Yuasa, K.

    2004-10-01

    Various magnetic levitation systems using oxide superconductors are developed as strong pinning forces are obtained in melt-processed bulk. However, the trapped flux of superconductor is moved by flux creep and fluctuating magnetic field. Therefore, to examine the internal condition of superconductor, the authors measure the dynamic surface flux density distribution of YBCO bulk. Flux density measurement system has a structure with the air-core coil and the Hall sensors. Ten Hall sensors are arranged in series. The YBCO bulk, which has 25 mm diameter and 13 mm thickness, is field cooled by liquid nitrogen. After that, magnetic field is changed by the air-core coil. This paper describes about the measured results of flux density distribution of YBCO bulk in the various frequencies of air-core coils currents.

  5. Surface density of spacetime degrees of freedom from equipartition law in theories of gravity

    International Nuclear Information System (INIS)

    Padmanabhan, T.

    2010-01-01

    I show that the principle of equipartition, applied to area elements of a surface ∂V which are in equilibrium at the local Davies-Unruh temperature, allows one to determine the surface number density of the microscopic spacetime degrees of freedom in any diffeomorphism invariant theory of gravity. The entropy associated with these degrees of freedom matches with the Wald entropy for the theory. This result also allows one to attribute an entropy density to the spacetime in a natural manner. The field equations of the theory can then be obtained by extremizing this entropy. Moreover, when the microscopic degrees of freedom are in local thermal equilibrium, the spacetime entropy of a bulk region resides on its boundary.

  6. Morphological features of the copper surface layer under sliding with high density electric current

    Energy Technology Data Exchange (ETDEWEB)

    Fadin, V. V., E-mail: fvv@ispms.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); Aleutdinova, M. I., E-mail: aleut@ispms.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); Seversk Technological Institute, Branch of State Autonomous Educational Institution of Higher Professional Education “National Research Nuclear University “MEPhI”, Seversk, 636036 (Russian Federation); Rubtsov, V. Ye., E-mail: rvy@ispms.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation); Aleutdinova, V. A., E-mail: valery-aleut@yandex.ru [National Research St. Petersburg State Polytechnical University, St. Petersburg, 195251 (Russian Federation)

    2015-10-27

    Conductivity and wear intensity of copper under the influence of dry friction and electric current with contact density higher 100 A/cm{sup 2} are presented. It is shown that an increase in hardness and heat outflow from a friction zone leads to the reduction of wear intensity and current contact density increase corresponding to the beginning of catastrophic wear. Structural changes, such as the formation of FeO oxide and α-Fe particles in the copper surface layer, have also been found. It is observed that a worn surface is deformed according to a viscous liquid mechanism. Such singularity is explained in terms of appearance of high-excited atomic states in deforming micro-volumes near contact spots that lead to easy stress relaxation by local plastic shears in the vicinity of stress concentrators. In common this effect allows to achieve high wear resistance.

  7. Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

    DEFF Research Database (Denmark)

    Wellendorff, Jess; Lundgård, Keld Troen; Møgelhøj, Andreas

    2012-01-01

    A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding the overfit......A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding...... the energetics of intramolecular and intermolecular, bulk solid, and surface chemical bonding, and the developed optimization method explicitly handles making the compromise based on the directions in model space favored by different materials properties. The approach is applied to designing the Bayesian error...... sets validates the applicability of BEEF-vdW to studies in chemistry and condensed matter physics. Applications of the approximation and its Bayesian ensemble error estimate to two intricate surface science problems support this....

  8. Investigation of surface charge density on solid–liquid interfaces by modulating the electrical double layer

    International Nuclear Information System (INIS)

    Moon, Jong Kyun; Song, Myung Won; Pak, Hyuk Kyu

    2015-01-01

    A solid surface in contact with water or aqueous solution usually carries specific electric charges. These surface charges attract counter ions from the liquid side. Since the geometry of opposite charge distribution parallel to the solid–liquid interface is similar to that of a capacitor, it is called an electrical double layer capacitor (EDLC). Therefore, there is an electrical potential difference across an EDLC in equilibrium. When a liquid bridge is formed between two conducting plates, the system behaves as two serially connected EDLCs. In this work, we propose a new method for investigating the surface charge density on solid–liquid interfaces. By mechanically modulating the electrical double layers and simultaneously applying a dc bias voltage across the plates, an ac electric current can be generated. By measuring the voltage drop across a load resistor as a function of bias voltage, we can study the surface charge density on solid–liquid interfaces. Our experimental results agree very well with the simple equivalent electrical circuit model proposed here. Furthermore, using this method, one can determine the polarity of the adsorbed state on the solid surface depending on the material used. We expect this method to aid in the study of electrical phenomena on solid–liquid interfaces. (paper)

  9. Surface-plasmon dispersion relation for the inhomogeneous charge-density medium

    International Nuclear Information System (INIS)

    Harsh, O.K.; Agarwal, B.K.

    1989-01-01

    The surface-plasmon dispersion relation is derived for the plane-bounded electron gas when there is an inhomogeneous charge-density distribution in the plasma. The hydrodynamical model is used. Both cphi and dcphi/dx are taken to be continuous at the surface of the slab, where cphi is the scalar potential. The dispersion relation is compared with the theoretical works of Stern and Ferrell and of Harsh and Agarwal. It is also compared with the observations of Kunz. A dispersion relation for the volume-plasmon oscillations is derived which resembles the well-known relation of Bohm and Pines

  10. Positron study of electron momentum density and Fermi surface in titanium and zirconium

    International Nuclear Information System (INIS)

    Suzuki, Ryoichi; Osawa, Makoto; Tanigawa, Shoichiro; Matsumoto, Makoto; Shiotani, Nobuhiro.

    1989-01-01

    The three dimensional electron-positron momentum densities have been obtained on Ti and Zr from measurements of two dimensional angular correlation of positron annihilation radiation followed by an image reconstruction technique based on direct Fourier transformation. Augmented-plane wave band structure calculations have been carried out and the results are compared with the experiments. Agreement between the experiment and the theory leads to a conclusion that both Ti and Zr have electron surface sheets which are centered at H and hole surface sheets which are running along the Γ-A axis. (author)

  11. A new temperature and humidity dependent surface site density approach for deposition ice nucleation

    OpenAIRE

    I. Steinke; C. Hoose; O. Möhler; P. Connolly; T. Leisner

    2014-01-01

    Deposition nucleation experiments with Arizona Test Dust (ATD) as a surrogate for mineral dusts were conducted at the AIDA cloud chamber at temperatures between 220 and 250 K. The influence of the aerosol size distribution and the cooling rate on the ice nucleation efficiencies was investigated. Ice nucleation active surface site (INAS) densities were calculated to quantify the ice nucleation efficiency as a function of temperature, humidity and the aerosol ...

  12. Radial Surface Density Profiles of Gas and Dust in the Debris Disk around 49 Ceti

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, A. Meredith; Lieman-Sifry, Jesse; Flaherty, Kevin M.; Daley, Cail M. [Department of Astronomy, Van Vleck Observatory, Wesleyan University, 96 Foss Hill Drive, Middletown, CT 06459 (United States); Roberge, Aki [Exoplanets and Stellar Astrophysics Laboratory, NASA Goddard Space Flight Center, Code 667, Greenbelt, MD 20771 (United States); Kóspál, Ágnes; Moór, Attila; Ábrahám, Peter [Konkoly Observatory, Research Centre for Astronomy and Earth Sciences, Hungarian Academy of Sciences, P.O. Box 67, 1525 Budapest (Hungary); Kamp, Inga [Kapteyn Astronomical Institute, University of Groningen, Postbus 800, 9700 AV Groningen (Netherlands); Wilner, David J.; Andrews, Sean M. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, MS-51, Cambridge, MA 02138 (United States); Kastner, Joel H., E-mail: amhughes@astro.wesleyan.edu [Rochester Institute of Technology, 54 Lomb Memorial Drive, Rochester, NY 14623 (United States)

    2017-04-20

    We present ∼0.″4 resolution images of CO(3–2) and associated continuum emission from the gas-bearing debris disk around the nearby A star 49 Ceti, observed with the Atacama Large Millimeter/Submillimeter Array (ALMA). We analyze the ALMA visibilities in tandem with the broadband spectral energy distribution to measure the radial surface density profiles of dust and gas emission from the system. The dust surface density decreases with radius between ∼100 and 310 au, with a marginally significant enhancement of surface density at a radius of ∼110 au. The SED requires an inner disk of small grains in addition to the outer disk of larger grains resolved by ALMA. The gas disk exhibits a surface density profile that increases with radius, contrary to most previous spatially resolved observations of circumstellar gas disks. While ∼80% of the CO flux is well described by an axisymmetric power-law disk in Keplerian rotation about the central star, residuals at ∼20% of the peak flux exhibit a departure from axisymmetry suggestive of spiral arms or a warp in the gas disk. The radial extent of the gas disk (∼220 au) is smaller than that of the dust disk (∼300 au), consistent with recent observations of other gas-bearing debris disks. While there are so far only three broad debris disks with well characterized radial dust profiles at millimeter wavelengths, 49 Ceti’s disk shows a markedly different structure from two radially resolved gas-poor debris disks, implying that the physical processes generating and sculpting the gas and dust are fundamentally different.

  13. Application of response surface methodology to optimize uranium biological leaching at high pulp density

    International Nuclear Information System (INIS)

    Fatemi, Faezeh; Arabieh, Masoud; Jahani, Samaneh

    2016-01-01

    The aim of the present study was to carry out uranium bioleaching via optimization of the leaching process using response surface methodology. For this purpose, the native Acidithiobacillus sp. was adapted to different pulp densities following optimization process carried out at a high pulp density. Response surface methodology based on Box-Behnken design was used to optimize the uranium bioleaching. The effects of six key parameters on the bioleaching efficiency were investigated. The process was modeled with mathematical equation, including not only first and second order terms, but also with probable interaction effects between each pair of factors.The results showed that the extraction efficiency of uranium dropped from 100% at pulp densities of 2.5, 5, 7.5 and 10% to 68% at 12.5% of pulp density. Using RSM, the optimum conditions for uranium bioleaching (12.5% (w/v)) were identified as pH = 1.96, temperature = 30.90 C, stirring speed = 158 rpm, 15.7% inoculum, FeSO 4 . 7H 2 O concentration at 13.83 g/L and (NH 4 ) 2 SO 4 concentration at 3.22 g/L which achieved 83% of uranium extraction efficiency. The results of uranium bioleaching experiment using optimized parameter showed 81% uranium extraction during 15 d. The obtained results reveal that using RSM is reliable and appropriate for optimization of parameters involved in the uranium bioleaching process.

  14. Application of response surface methodology to optimize uranium biological leaching at high pulp density

    Energy Technology Data Exchange (ETDEWEB)

    Fatemi, Faezeh; Arabieh, Masoud; Jahani, Samaneh [NSTRI, Tehran (Iran, Islamic Republic of). Nuclear Fuel Cycle Research School

    2016-08-01

    The aim of the present study was to carry out uranium bioleaching via optimization of the leaching process using response surface methodology. For this purpose, the native Acidithiobacillus sp. was adapted to different pulp densities following optimization process carried out at a high pulp density. Response surface methodology based on Box-Behnken design was used to optimize the uranium bioleaching. The effects of six key parameters on the bioleaching efficiency were investigated. The process was modeled with mathematical equation, including not only first and second order terms, but also with probable interaction effects between each pair of factors.The results showed that the extraction efficiency of uranium dropped from 100% at pulp densities of 2.5, 5, 7.5 and 10% to 68% at 12.5% of pulp density. Using RSM, the optimum conditions for uranium bioleaching (12.5% (w/v)) were identified as pH = 1.96, temperature = 30.90 C, stirring speed = 158 rpm, 15.7% inoculum, FeSO{sub 4} . 7H{sub 2}O concentration at 13.83 g/L and (NH{sub 4}){sub 2}SO{sub 4} concentration at 3.22 g/L which achieved 83% of uranium extraction efficiency. The results of uranium bioleaching experiment using optimized parameter showed 81% uranium extraction during 15 d. The obtained results reveal that using RSM is reliable and appropriate for optimization of parameters involved in the uranium bioleaching process.

  15. Adsorption properties of AlN on Si(111) surface: A density functional study

    Science.gov (United States)

    Yuan, Yinmei; Zuo, Ran; Mao, Keke; Tang, Binlong; Zhang, Zhou; Liu, Jun; Zhong, Tingting

    2018-04-01

    In the process of preparing GaN on Si substrate by MOCVD, an AlN buffer layer is very important. In this study, we conducted density functional theory calculations on the adsorption of AlN molecule on Si(111)-(2 × 2) surface, with the AlN molecule located horizontally or vertically above Si(111) surface at different adsorption sites. The calculations revealed that the lowest adsorption energy was at the N-top-Al-bridge site in the horizontal configuration, with the narrowest band gap, indicating that it was the most preferential adsorption growth status of AlN. In the vertical configurations, N adatom was more reactive and convenient to form bonds with the topmost Si atoms than Al adatom. When the N-end of the AlN molecule was located downward, the hollow site was the preferred adsorption site; when the Al-end was located downward, the bridge site was the most energetically favorable. Moreover, we investigated some electronic properties such as partial density of states, electron density difference, Mulliken populations, etc., revealing the microscale mechanism for AlN adsorption on Si(111) surface and providing theoretical support for adjusting the processing parameters during AlN or GaN production.

  16. Improving energy conversion efficiency for triboelectric nanogenerator with capacitor structure by maximizing surface charge density.

    Science.gov (United States)

    He, Xianming; Guo, Hengyu; Yue, Xule; Gao, Jun; Xi, Yi; Hu, Chenguo

    2015-02-07

    Nanogenerators with capacitor structures based on piezoelectricity, pyroelectricity, triboelectricity and electrostatic induction have been extensively investigated. Although the electron flow on electrodes is well understood, the maximum efficiency-dependent structure design is not clearly known. In this paper, a clear understanding of triboelectric generators with capacitor structures is presented by the investigation of polydimethylsiloxane-based composite film nanogenerators, indicating that the generator, in fact, acts as both an energy storage and output device. Maximum energy storage and output depend on the maximum charge density on the dielectric polymer surface, which is determined by the capacitance of the device. The effective thickness of polydimethylsiloxane can be greatly reduced by mixing a suitable amount of conductive nanoparticles into the polymer, through which the charge density on the polymer surface can be greatly increased. This finding can be applied to all the triboelectric nanogenerators with capacitor structures, and it provides an important guide to the structural design for nanogenerators. It is demonstrated that graphite particles with sizes of 20-40 nm and 3.0% mass mixed into the polydimethylsiloxane can reduce 34.68% of the effective thickness of the dielectric film and increase the surface charges by 111.27% on the dielectric film. The output power density of the triboelectric nanogenerator with the composite polydimethylsiloxane film is 3.7 W m(-2), which is 2.6 times as much as that of the pure polydimethylsiloxane film.

  17. Asymptotic analysis of a pile-up of regular edge dislocation walls

    KAUST Repository

    Hall, Cameron L.

    2011-12-01

    The idealised problem of a pile-up of regular dislocation walls (that is, of planes each containing an infinite number of parallel, identical and equally spaced dislocations) was presented by Roy et al. [A. Roy, R.H.J. Peerlings, M.G.D. Geers, Y. Kasyanyuk, Materials Science and Engineering A 486 (2008) 653-661] as a prototype for understanding the importance of discrete dislocation interactions in dislocation-based plasticity models. They noted that analytic solutions for the dislocation wall density are available for a pile-up of regular screw dislocation walls, but that numerical methods seem to be necessary for investigating regular edge dislocation walls. In this paper, we use the techniques of discrete-to-continuum asymptotic analysis to obtain a detailed description of a pile-up of regular edge dislocation walls. To leading order, we find that the dislocation wall density is governed by a simple differential equation and that boundary layers are present at both ends of the pile-up. © 2011 Elsevier B.V.

  18. Asymptotic analysis of a pile-up of regular edge dislocation walls

    KAUST Repository

    Hall, Cameron L.

    2011-01-01

    The idealised problem of a pile-up of regular dislocation walls (that is, of planes each containing an infinite number of parallel, identical and equally spaced dislocations) was presented by Roy et al. [A. Roy, R.H.J. Peerlings, M.G.D. Geers, Y. Kasyanyuk, Materials Science and Engineering A 486 (2008) 653-661] as a prototype for understanding the importance of discrete dislocation interactions in dislocation-based plasticity models. They noted that analytic solutions for the dislocation wall density are available for a pile-up of regular screw dislocation walls, but that numerical methods seem to be necessary for investigating regular edge dislocation walls. In this paper, we use the techniques of discrete-to-continuum asymptotic analysis to obtain a detailed description of a pile-up of regular edge dislocation walls. To leading order, we find that the dislocation wall density is governed by a simple differential equation and that boundary layers are present at both ends of the pile-up. © 2011 Elsevier B.V.

  19. Discrete dislocation modelling of submicron indentation

    NARCIS (Netherlands)

    Widjaja, A; Van der Giessen, E; Needleman, A

    2005-01-01

    Indentation of a planar single crystal by a circular rigid indenter is analyzed using discrete dislocation plasticity. The crystal has three slip systems and is initially dislocation-free, but edge dislocations can nucleate from point sources inside the crystal. The lattice resistance to dislocation

  20. Surface Casimir densities and induced cosmological constant in higher dimensional braneworlds

    International Nuclear Information System (INIS)

    Saharian, Aram A.

    2006-01-01

    We investigate the vacuum expectation value of the surface energy-momentum tensor for a massive scalar field with general curvature coupling parameter obeying the Robin boundary conditions on two codimension one parallel branes in a (D+1)-dimensional background spacetime AdS D 1 +1 xΣ with a warped internal space Σ. These vacuum densities correspond to a gravitational source of the cosmological constant type for both subspaces of the branes. Using the generalized zeta function technique in combination with contour integral representations, the surface energies on the branes are presented in the form of the sum of single-brane and second-brane-induced parts. For the geometry of a single brane both regions, on the left and on the right of the brane, are considered. At the physical point the corresponding zeta functions contain pole and finite contributions. For an infinitely thin brane taking these regions together, in odd spatial dimensions the pole parts cancel and the total zeta function is finite. The renormalization procedure for the surface energies and the structure of the corresponding counterterms are discussed. The parts in the surface densities generated by the presence of the second brane are finite for all nonzero values of the interbrane separation and are investigated in various asymptotic regions of the parameters. In particular, it is shown that for large distances between the branes the induced surface densities give rise to an exponentially suppressed cosmological constant on the brane. The total energy of the vacuum including the bulk and boundary contributions is evaluated by the zeta function technique and the energy balance between separate parts is discussed

  1. Neglected locked vertical patellar dislocation

    Science.gov (United States)

    Gupta, Rakesh Kumar; Gupta, Vinay; Sangwan, Sukhbir Singh; Kamboj, Pradeep

    2012-01-01

    Patellar dislocations occurring about the vertical and horizontal axis are rare and irreducible. The neglected patellar dislocation is still rarer. We describe the clinical presentation and management of a case of neglected vertical patellar dislocation in a 6 year-old boy who sustained an external rotational strain with a laterally directed force to his knee. Initially the diagnosis was missed and 2 months later open reduction was done. The increased tension generated by the rotation of the lateral extensor retinaculum kept the patella locked in the lateral gutter even with the knee in full extension. Traumatic patellar dislocation with rotation around a vertical axis has been described earlier, but no such neglected case has been reported to the best of our knowledge. PMID:23162154

  2. Neglected locked vertical patellar dislocation

    Directory of Open Access Journals (Sweden)

    Rakesh Kumar Gupta

    2012-01-01

    Full Text Available Patellar dislocations occurring about the vertical and horizontal axis are rare and irreducible. The neglected patellar dislocation is still rarer. We describe the clinical presentation and management of a case of neglected vertical patellar dislocation in a 6 year-old boy who sustained an external rotational strain with a laterally directed force to his knee. Initially the diagnosis was missed and 2 months later open reduction was done. The increased tension generated by the rotation of the lateral extensor retinaculum kept the patella locked in the lateral gutter even with the knee in full extension. Traumatic patellar dislocation with rotation around a vertical axis has been described earlier, but no such neglected case has been reported to the best of our knowledge.

  3. Epitaxial strain relaxation by provoking edge dislocation dipoles

    Science.gov (United States)

    Soufi, A.; El-Hami, K.

    2018-02-01

    Thin solid films have been used in various devices and engineering systems such as rapid development of highly integrated electronic circuits, the use of surface coatings to protect structural materials in high temperature environments, and thin films are integral parts of many micro-electro-mechanical systems designed to serve as sensors, actuators. Among techniques of ultra-thin films deposition, the heteroepitaxial method becomes the most useful at nanoscale level to obtain performed materials in various applications areas. On the other hand, stresses that appeared during the elaboration of thin films could rise deformations and fractures in materials. The key solution to solve this problem at the nanoscale level is the nucleation of interface dislocations from free surfaces. By provoking edge dislocation dipoles we obtained a strain relaxation in thin films. Moreover, the dynamic of nucleation in edge dislocations from free lateral surfaces was also studied.

  4. Electron microscope investigation into dislocation structure of cast aluminium alloys

    International Nuclear Information System (INIS)

    Zolotorevskij, V.S.; Orelkina, T.A.; Istomin-Kastrovskij, V.V.

    1978-01-01

    By applying the diffraction electron microscopy method, the general specific features of the disclocation structure of cast binary alloys of aluminium with different additions were established. It is shown that in most alloys, when they undergo cooling in the process of crystallization at the rate of about 850 deg/min, the cellular dislocation structure is formed. It is shown that in all the alloys studied, the total density of dislocations of one order is about-10 9 cm -2 , which exceeds by 1 to 2 orders of magnitude the value which follows from the Tiller theory of concentration stresses. It has been experimentally established that the contribution of shrinkage and thermal stresses to the formation of a dislocation structure is rather insignificant; yet the dislocation density values calculated according to the size of dendritic cells and the medium angles of their disorientation are close to those determined by the electron-microscopic method. This is the basis for making a supposition that the greater part of the dislocations in castings are formed as a result of comparing dendritic branches with one another, which are disoriented in respect to each other

  5. Trans-triquetral Perilunate fracture dislocation

    OpenAIRE

    John-Henry Rhind; Abhinav Gulihar; Andrew Smith

    2018-01-01

    Perilunate dislocations and perilunate fracture dislocations are rare and serious injuries. Perilunate dislocations represent less than 10% of all carpal injuries of which 61% represent transcaphoid fractures. Because of their rarity, up to 25% of perilunate dislocations are initially missed on first assessment. We present the case of a 66-year-old-gentleman who sustained an isolated trans-triquetral perilunate fracture dislocation while walking his dog. This was diagnosed in the emergency de...

  6. HRTEM studies of dislocations in cubic BN

    International Nuclear Information System (INIS)

    Nistor, L.C.; Tendeloo, G. van; Dinca, G.

    2004-01-01

    The atomic structure of dislocations in cubic boron nitride has been investigated by high resolution transmission electron microscopy. Most of the perfect dislocations, screw and 60 edge, are dissociated. A 60 dislocation which was undissociated has been analysed. Computer simulation is performed in an attempt to characterise the core structure. Twinning dislocations and dislocations resulting from the intersection of stacking faults are also revealed. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. HRTEM studies of dislocations in cubic BN

    Energy Technology Data Exchange (ETDEWEB)

    Nistor, L.C. [National Institute for Materials Physics, P.O. Box MG-7 Magurele, 077125 Bucharest (Romania); Tendeloo, G. van [University of Antwerp, EMAT, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Dinca, G. [Dacia Synthetic Diamond Factory, Timisoara av. 5, P.O. Box 58-52, 077350 Bucharest (Romania)

    2004-09-01

    The atomic structure of dislocations in cubic boron nitride has been investigated by high resolution transmission electron microscopy. Most of the perfect dislocations, screw and 60 edge, are dissociated. A 60 dislocation which was undissociated has been analysed. Computer simulation is performed in an attempt to characterise the core structure. Twinning dislocations and dislocations resulting from the intersection of stacking faults are also revealed. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. Calculation of the flux density of gamma rays above the surface of Venus and the Earth

    International Nuclear Information System (INIS)

    Surkov, Yu.A.; Manvelyan, O.S.

    1987-01-01

    In this article the authors present the results of calculating the flux density of unscattered gamma rays as a function of height above the surfaces of Venus and the Earth. At each height they calculate the areas which will collect a certain fraction of the gamma rays. The authors calculate the spectra of scattered gamma rays, as well as their integrated fluxes at various heights above the surface of Venus. They consider how the atmosphere will affect the recording of gamma rays. Their results enable them to evaluate the optimal conditions for measuring the gamma-ray fields above the surfaces of Venus and the Earth and to determine the area of the planet which can be investigated in this way. These results are also necessary if they are to determine the elemental composition of the rock from the characteristic recorded spectrum of gamma radiation

  9. Methyl Butanoate Adsorption on MoS2 Surface: A Density Functional Theory Investigation

    Directory of Open Access Journals (Sweden)

    Prabowo Wahyu Aji Eko

    2018-01-01

    Full Text Available Methyl butanoate is one of the compound which is obtained from triglyceride molecule. It has hydrocarbon components and hence may produce hydrocarbon through hydrodeoxygenation (HDO or decarbonylation (DCO processes. The first step to uncover the underlying mechanism of HDO or DCO is to find the active site of methyl butanoate adsorption over the catalyst. This study attempts to investigate the active site of methyl butanoate adsorption on MoS2 surface. Stable bonding configuration for methyl butanoate adsorption on MoS2 is investigated by using density functional theory (DFT. This investigation consists of geometry optimisation and adsorption energy calculations. The stable configuration of methyl butanoate adsorption on MoS2 surface is found to be on top of Mo atom in Mo-edge surface.

  10. Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Tachikawa, Hiroto, E-mail: hiroto@eng.hokudai.ac.jp

    2017-02-28

    Highlights: • The reaction pathway of the hydrogen addition to graphene surface was determined by the DFT method. • Binding energies of atomic hydrogen to graphene surface were determined. • Absorption spectrum of hydrogenated graphene was theoretically predicted. • Hyperfine coupling constant of hydrogenated graphene was theoretically predicted. - Abstract: Polycyclic aromatic hydrocarbons (PAHs) provide a 2-dimensional (2D) reaction surface in 3-dimensional (3D) interstellar space and have been utilized as a model of graphene surfaces. In the present study, the reaction of PAHs with atomic hydrogen was investigated by means of density functional theory (DFT) to systematically elucidate the binding nature of atomic hydrogen to graphene nanoflakes. PAHs with n = 4–37 were chosen, where n indicates the number of benzene rings. Activation energies of hydrogen addition to the graphene surface were calculated to be 5.2–7.0 kcal/mol at the CAM-B3LYP/6-311G(d,p) level, which is almost constant for all PAHs. The binding energies of hydrogen atom were slightly dependent on the size (n): 14.8–28.5 kcal/mol. The absorption spectra showed that a long tail is generated at the low-energy region after hydrogen addition to the graphene surface. The electronic states of hydrogenated graphenes were discussed on the basis of theoretical results.

  11. Near Surface Stoichiometry in UO2: A Density Functional Theory Study

    Directory of Open Access Journals (Sweden)

    Jianguo Yu

    2015-01-01

    Full Text Available The mechanisms of oxygen stoichiometry variation in UO2 at different temperature and oxygen partial pressure are important for understanding the dynamics of microstructure in these crystals. However, very limited experimental studies have been performed to understand the atomic structure of UO2 near surface and defect effects of near surface on stoichiometry in which the system can exchange atoms with the external reservoir. In this study, the near (110 surface relaxation and stoichiometry in UO2 have been studied with density functional theory (DFT calculations. On the basis of the point-defect model (PDM, a general expression for the near surface stoichiometric variation is derived by using DFT total-energy calculations and atomistic thermodynamics, in an attempt to pin down the mechanisms of oxygen exchange between the gas environment and defected UO2. By using the derived expression, it is observed that, under poor oxygen conditions, the stoichiometry of near surface is switched from hyperstoichiometric at 300 K with a depth around 3 nm to near-stoichiometric at 1000 K and hypostoichiometric at 2000 K. Furthermore, at very poor oxygen concentrations and high temperatures, our results also suggest that the bulk of the UO2 prefers to be hypostoichiometric, although the surface is near-stoichiometric.

  12. Computational issues in the simulation of two-dimensional discrete dislocation mechanics

    Science.gov (United States)

    Segurado, J.; LLorca, J.; Romero, I.

    2007-06-01

    The effect of the integration time step and the introduction of a cut-off velocity for the dislocation motion was analysed in discrete dislocation dynamics (DD) simulations of a single crystal microbeam. Two loading modes, bending and uniaxial tension, were examined. It was found that a longer integration time step led to a progressive increment of the oscillations in the numerical solution, which would eventually diverge. This problem could be corrected in the simulations carried out in bending by introducing a cut-off velocity for the dislocation motion. This strategy (long integration times and a cut-off velocity for the dislocation motion) did not recover, however, the solution computed with very short time steps in uniaxial tension: the dislocation density was overestimated and the dislocation patterns modified. The different response to the same numerical algorithm was explained in terms of the nature of the dislocations generated in each case: geometrically necessary in bending and statistically stored in tension. The evolution of the dislocation density in the former was controlled by the plastic curvature of the beam and was independent of the details of the simulations. On the contrary, the steady-state dislocation density in tension was determined by the balance between nucleation of dislocations and those which are annihilated or which exit the beam. Changes in the DD imposed by the cut-off velocity altered this equilibrium and the solution. These results point to the need for detailed analyses of the accuracy and stability of the dislocation dynamic simulations to ensure that the results obtained are not fundamentally affected by the numerical strategies used to solve this complex problem.

  13. Effect of reacting surface density on the overall graphite oxidation rate

    International Nuclear Information System (INIS)

    Oh, Chang; Kim, Eung; Lim, Jong; Schultz, Richard; Petti, David

    2009-01-01

    Graphite oxidation in an air-ingress accident is presently a very important issue for the reactor safety of the very high temperature gas cooled-reactor (VHTR), the concept of the next generation nuclear plant (NGNP) because of its potential problems such as mechanical degradation of the supporting graphite in the lower plenum of the VHTR might lead to core collapse if the countermeasure is taken carefully. The oxidation process of graphite has known to be affected by various factors, including temperature, pressure, oxygen concentration, types of graphite, graphite shape and size, flow distribution, etc. However, our recent study reveals that the internal pore characteristics play very important roles in the overall graphite oxidation rate. One of the main issues regarding graphite oxidation is the potential core collapse problem that may occur following the degradation of graphite mechanical strength. In analyzing this phenomenon, it is very important to understand the relationship between the degree of oxidization and strength degradation. In addition, the change of oxidation rate by graphite oxidation degree characterization by burn-off (ratio of the oxidized graphite density to the original density) should be quantified because graphite strength degradation is followed by graphite density decrease, which highly affects oxidation rates and patterns. Because the density change is proportional to the internal pore surface area, they should be quantified in advance. In order to understand the above issues, the following experiments were performed: (1) Experiment on the fracture of the oxidized graphite and validation of the previous correlations, (2) Experiment on the change of oxidation rate using graphite density and data collection, (3) Measure the BET surface area of the graphite. The experiments were performed using H451 (Great Lakes Carbon Corporation) and IG-110 (Toyo Tanso Co., Ltd) graphite. The reason for the use of those graphite materials is because

  14. Dispersal, density dependence, and population dynamics of a fungal microbe on leaf surfaces.

    Science.gov (United States)

    Woody, Scott T; Ives, Anthony R; Nordheim, Erik V; Andrews, John H

    2007-06-01

    Despite the ubiquity and importance of microbes in nature, little is known about their natural population dynamics, especially for those that occupy terrestrial habitats. Here we investigate the dynamics of the yeast-like fungus Aureobasidium pullulans (Ap) on apple leaves in an orchard. We asked three questions. (1) Is variation in fungal population density among leaves caused by variation in leaf carrying capacities and strong density-dependent population growth that maintains densities near carrying capacity? (2) Do resident populations have competitive advantages over immigrant cells? (3) Do Ap dynamics differ at different times during the growing season? To address these questions, we performed two experiments at different times in the growing season. Both experiments used a 2 x 2 factorial design: treatment 1 removed fungal cells from leaves to reveal density-dependent population growth, and treatment 2 inoculated leaves with an Ap strain engineered to express green fluorescent protein (GFP), which made it possible to track the fate of immigrant cells. The experiments showed that natural populations of Ap vary greatly in density due to sustained differences in carrying capacities among leaves. The maintenance of populations close to carrying capacities indicates strong density-dependent processes. Furthermore, resident populations are strongly competitive against immigrants, while immigrants have little impact on residents. Finally, statistical models showed high population growth rates of resident cells in one experiment but not in the other, suggesting that Ap experiences relatively "good" and "bad" periods for population growth. This picture of Ap dynamics conforms to commonly held, but rarely demonstrated, expectations of microbe dynamics in nature. It also highlights the importance of local processes, as opposed to immigration, in determining the abundance and dynamics of microbes on surfaces in terrestrial systems.

  15. Surface grafting density analysis of high anti-clotting PU-Si-g-P(MPC) films

    Energy Technology Data Exchange (ETDEWEB)

    Lu Chunyan [Jiangsu Key Laboratory of Biofunctional Materials, College of Chemistry and Materials Science, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Engineering Research Center for Biomedical Function Materials, Nanjing Normal University, Nanjing 210097 (China); Zhou Ninglin, E-mail: ninglinzhou@yahoo.com [Jiangsu Key Laboratory of Biofunctional Materials, College of Chemistry and Materials Science, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Engineering Research Center for Biomedical Function Materials, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Technological Research Center for Interfacial Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China); Xiao Yinghong; Tang Yida; Jin Suxing; Wu Yue [Jiangsu Key Laboratory of Biofunctional Materials, College of Chemistry and Materials Science, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Engineering Research Center for Biomedical Function Materials, Nanjing Normal University, Nanjing 210097 (China); Zhang Jun; Shen Jian [Jiangsu Key Laboratory of Biofunctional Materials, College of Chemistry and Materials Science, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Engineering Research Center for Biomedical Function Materials, Nanjing Normal University, Nanjing 210097 (China); Jiangsu Technological Research Center for Interfacial Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China)

    2012-02-01

    Well-defined zwitterionic polymer brushes with good blood compatibility were studied, grafted from polyurethane (PU) substrate (PU-Si-g-P(MPC)) by surface-initiated reverse atom transfer radical polymerization (SI-RATRP). We found that the structure of polymer brushes and hence their properties greatly depend on the grafting density. To solve the problems of the normal method for grafting density measurement, i.e., more requirements for qualified and proficient instrument operator, we established an effective and feasible way instead of the conventional method of spectroscopic ellipsometer combined with gel permeation chromatograph (ELM/GPC) to calculate the grafting density of PU-Si-g-P(MPC) films by using a software named ImageJ 1.44e in combination with scanning electronic microscope (SEM) or atomic microscope (AFM). X-ray photoelectron spectroscopy (XPS), SEM and AFM were employed to analyze the surface topography and changes of elements before and after graft modification of the synthetic PU-Si-g-P(MPC) biofilms.

  16. PEGylation on mixed monolayer gold nanoparticles: Effect of grafting density, chain length, and surface curvature.

    Science.gov (United States)

    Lin, Jiaqi; Zhang, Heng; Morovati, Vahid; Dargazany, Roozbeh

    2017-10-15

    PEGylation on nanoparticles (NPs) is widely used to prevent aggregation and to mask NPs from the fast clearance system in the body. Understanding the molecular details of the PEG layer could facilitate rational design of PEGylated NPs that maximize their solubility and stealth ability without significantly compromising the targeting efficiency and cellular uptake. Here, we use molecular dynamics (MD) simulation to understand the structural and dynamic the PEG coating of mixed monolayer gold NPs. Specifically, we modeled gold NPs with PEG grafting densities ranging from 0-2.76chain/nm 2 , chain length with 0-10 PEG monomers, NP core diameter from 5nm to 500nm. It is found that the area accessed by individual PEG chains gradually transits from a "mushroom" to a "brush" conformation as NP surface curvature become flatter, whereas such a transition is not evident on small NPs when grafting density increases. It is shown that moderate grafting density (∼1.0chain/nm 2 ) and short chain length are sufficient enough to prevent NPs from aggregating in an aqueous medium. The effect of grafting density on solubility is also validated by dynamic light scattering measurements of PEGylated 5nm gold NPs. With respect to the shielding ability, simulations predict that increase either grafting density, chain length, or NP diameter will reduce the accessibility of the protected content to a certain size molecule. Interestingly, reducing NP surface curvature is estimated to be most effective in promoting shielding ability. For shielding against small molecules, increasing PEG grafting density is more effective than increasing chain length. A simple model that includes these three investigated parameters is developed based on the simulations to roughly estimate the shielding ability of the PEG layer with respect to molecules of different sizes. The findings can help expand our current understanding of the PEG layer and guide rational design of PEGylated gold NPs for a particular

  17. Characterizing short-range vs. long-range spatial correlations in dislocation distributions

    Energy Technology Data Exchange (ETDEWEB)

    Chevy, Juliette, E-mail: juliette.chevy@gmail.com [Laboratoire de Glaciologie et Geophysique de l' Environnement-CNRS, 54 rue Moliere, 38402 St. Martin d' Heres (France)] [Laboratoire Science et Ingenierie des Materiaux et Procedes, Grenoble INP-CNRS-UJF, BP 75, 38402 St. Martin d' Heres Cedex (France); Fressengeas, Claude; Lebyodkin, Mikhail; Taupin, Vincent [Laboratoire de Physique et Mecanique des Materiaux, Universite Paul Verlaine-Metz/CNRS, Ile du Saulcy, 57045 Metz Cedex (France); Bastie, Pierre [Laboratoire de Spectrometrie Physique, BP 87, 38402 St. Martin d' Heres Cedex (France)] [Institut Laue Langevin, BP 156, 38042 Grenoble Cedex 9 (France); Duval, Paul [Laboratoire de Glaciologie et Geophysique de l' Environnement-CNRS, 54 rue Moliere, 38402 St. Martin d' Heres (France)

    2010-03-15

    Hard X-ray diffraction experiments have provided evidence of a strongly heterogeneous distribution of dislocation densities along the axis of cylindrical ice single crystals oriented for basal slip in torsion creep. The dislocation arrangements showed a complex scale-invariant character, which was analyzed by means of statistical and multifractal techniques. A trend to decreasing autocorrelation of the dislocation distribution was observed as deformation proceeds. At low strain levels, long-range spatial correlations control the distribution, but short-range correlations in relation with cross-slip progressively prevail when strain increases. This trend was reproduced by a model based on field dislocation dynamics, a theory accounting for both long-range elastic interactions and short-range interactions through transport of dislocation densities.

  18. Characterizing short-range vs. long-range spatial correlations in dislocation distributions

    International Nuclear Information System (INIS)

    Chevy, Juliette; Fressengeas, Claude; Lebyodkin, Mikhail; Taupin, Vincent; Bastie, Pierre; Duval, Paul

    2010-01-01

    Hard X-ray diffraction experiments have provided evidence of a strongly heterogeneous distribution of dislocation densities along the axis of cylindrical ice single crystals oriented for basal slip in torsion creep. The dislocation arrangements showed a complex scale-invariant character, which was analyzed by means of statistical and multifractal techniques. A trend to decreasing autocorrelation of the dislocation distribution was observed as deformation proceeds. At low strain levels, long-range spatial correlations control the distribution, but short-range correlations in relation with cross-slip progressively prevail when strain increases. This trend was reproduced by a model based on field dislocation dynamics, a theory accounting for both long-range elastic interactions and short-range interactions through transport of dislocation densities.

  19. Dislocation related droop in InGaN/GaN light emitting diodes investigated via cathodoluminescence

    Energy Technology Data Exchange (ETDEWEB)

    Pozina, Galia [Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping (Sweden); Ciechonski, Rafal [GLO AB, Scheelevägen 22, SE-22363 Lund (Sweden); Bi, Zhaoxia [Solid State Physics, Lund University, Box 118, SE-22100 Lund (Sweden); Samuelson, Lars [GLO AB, Scheelevägen 22, SE-22363 Lund (Sweden); Solid State Physics, Lund University, Box 118, SE-22100 Lund (Sweden); Monemar, Bo [Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping (Sweden); Solid State Physics, Lund University, Box 118, SE-22100 Lund (Sweden); TokyoUniversity of Agriculture and Technology, Koganei, Tokyo 184-8588 (Japan)

    2015-12-21

    Today's energy saving solutions for general illumination rely on efficient white light emitting diodes (LEDs). However, the output efficiency droop experienced in InGaN based LEDs with increasing current injection is a serious limitation factor for future development of bright white LEDs. We show using cathodoluminescence (CL) spatial mapping at different electron beam currents that threading dislocations are active as nonradiative recombination centers only at high injection conditions. At low current, the dislocations are inactive in carrier recombination due to local potentials, but these potentials are screened by carriers at higher injection levels. In CL images, this corresponds to the increase of the dark contrast around dislocations with the injection (excitation) density and can be linked with droop related to the threading dislocations. Our data indicate that reduction of droop in the future efficient white LED can be achieved via a drastic reduction of the dislocation density by using, for example, bulk native substrates.

  20. Surface flux density distribution characteristics of bulk high-T c superconductor in external magnetic field

    International Nuclear Information System (INIS)

    Nishikawa, H.; Torii, S.; Yuasa, K.

    2005-01-01

    This paper describes the measured results of the two-dimensional flux density distribution of a YBCO bulk under applied AC magnetic fields with various frequency. Melt-processed oxide superconductors have been developed in order to obtain strong pinning forces. Various electric mechanical systems or magnetic levitation systems use those superconductors. The major problem is that cracks occur because the bulk superconductors are brittle. The bulk may break in magnetizing process after cracks make superconducting state instable. The trapped flux density and the permanent current characteristics of bulk superconductors have been analyzed, so as to examine the magnetizing processes or superconducting states of the bulk. In those studies, the two-dimensional surface flux density distributions of the bulk in static fields are discussed. On the other hand, the distributions in dynamic fields are little discussed. We attempted to examine the states of the bulk in the dynamic fields, and made a unique experimental device which has movable sensors synchronized with AC applied fields. As a result, the two-dimensional distributions in the dynamic fields are acquired by recombining the one-dimensional distributions. The dynamic states of the flux of the bulk and the influences of directions of cracks are observed from the distributions. In addition, a new method for measuring two-dimensional flux density distribution under dynamic magnetic fields is suggested

  1. Gamma ray detecting device using dislocation-free crystal

    International Nuclear Information System (INIS)

    Vali, V.; Chang, D.B.

    1991-01-01

    This patent describes a γ-ray detector. It comprises: a dislocation-free single crystal having an input surface and a transmission surface at opposite ends thereof; an active shield surrounding the crystal and functioning as an anticoincidence counter; and γ-ray detector means disposed adjacent the transmission surface of the crystal for receiving and detecting γ-rays of a predetermined wavelength incident on the input surface of the crystal at a specific Bragg angle and transmitted through the crystal

  2. Contributions to Internal Stress from Free Dislocations and from Substructure Boundaries in Dislocation Structure Formed in High Temperature Creep

    Czech Academy of Sciences Publication Activity Database

    Orlová, Alena; Dobeš, Ferdinand

    2008-01-01

    Roč. 567-568, - (2008), s. 173-176 ISSN 0255-5476. [MSMF /5./. Brno, 27.06.2007-29.06.2007] R&D Projects: GA AV ČR 1QS200410502 Institutional research plan: CEZ:AV0Z20410507 Keywords : creep * internal stress * subgrain * dislocation density Subject RIV: BM - Solid Matter Physics ; Magnetism

  3. Probing Surface-Adlayer Conjugation on Organic-Modified Si(111) Surfaces with Microscopy, Scattering, Spectroscopy, and Density Functional Theory

    International Nuclear Information System (INIS)

    Kellar, Joshua A.; Lin, Jui-Ching; Kim, Jun-Hyun; Yoder, Nathan L.; Bevan, Kirk H.; Stokes, Grace Y.; Geiger, Franz M.; Nguyen, SonBinh T.; Bedzyk, Michael J.; Hersam, Mark C.

    2009-01-01

    Highly conjugated molecules bound to silicon are promising candidates for organosilicon electronic devices and sensors. In this study, 1-bromo-4-ethynylbenzene was synthesized and reacted with a hydrogen-passivated Si(111) surface via ultraviolet irradiation. Through an array of characterization and modeling tools, the binding configuration and morphology of the reacted molecule were thoroughly analyzed. Atomic force microscopy confirmed an atomically flat surface morphology following reaction, while X-ray photoelectron spectroscopy verified reaction to the surface via the terminal alkyne moiety. In addition, synchrotron X-ray characterization, including X-ray reflectivity, X-ray fluorescence, and X-ray standing wave measurements, enabled sub-angstrom determination of the position of the bromine atom with respect to the silicon lattice. This structural characterization was quantitatively compared with density functional theory (DFT) calculations, thus enabling the π-conjugation of the terminal carbon atoms to be deduced. The X-ray and DFT results were additionally corroborated with the vibrational spectrum of the organic adlayer, which was measured with sum frequency generation. Overall, these results illustrate that the terminal carbon atoms in 1-bromo-4-ethynylbenzene adlayers on Si(111) retain π-conjugation, thus revealing alkyne molecules as promising candidates for organosilicon electronics and sensing.

  4. Exact solution of the generalized Peierls equation for arbitrary n-fold screw dislocation

    Science.gov (United States)

    Wang, Shaofeng; Hu, Xiangsheng

    2018-05-01

    The exact solution of the generalized Peierls equation is presented and proved for arbitrary n-fold screw dislocation. The displacement field, stress field and the energy of the n-fold dislocation are also evaluated explicitly. It is found that the solution defined on each individual fold is given by the tail cut from the original Peierls solution. In viewpoint of energetics, a screw dislocation has a tendency to spread the distribution on all possible slip planes which are contained in the dislocation line zone. Based on the exact solution, the approximated solution of the improved Peierls equation is proposed for the modified γ-surface.

  5. Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell

    International Nuclear Information System (INIS)

    Arora, Swati; Singh, Vinamrita; Arora, Manoj; Pal Tandon, Ram

    2012-01-01

    Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10 12 -10 13 cm -2 eV -1 , which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.

  6. Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Arora, Swati, E-mail: drswatia@yahoo.com [Department of Physics, Zakir Husain College, University of Delhi, Delhi 110002 (India); Singh, Vinamrita [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Arora, Manoj [Department of Physics, Ramjas College, University of Delhi, Delhi 110007 (India); Pal Tandon, Ram [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

    2012-08-01

    Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10{sup 12}-10{sup 13} cm{sup -2} eV{sup -1}, which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.

  7. Quantitative analysis of dislocation arrangements induced by electromigration in a passivated Al (0.5 wt % Cu) interconnect

    Science.gov (United States)

    Barabash, R. I.; Ice, G. E.; Tamura, N.; Valek, B. C.; Bravman, J. C.; Spolenak, R.; Patel, J. R.

    2003-05-01

    Electromigration during accelerated testing can induce plastic deformation in apparently undamaged Al interconnect lines as recently revealed by white beam scanning x-ray microdiffraction. In the present article, we provide a first quantitative analysis of the dislocation structure generated in individual micron-sized Al grains during an in situ electromigration experiment. Laue reflections from individual interconnect grains show pronounced streaking during the early stages of electromigration. We demonstrate that the evolution of the dislocation structure during electromigration is highly inhomogeneous and results in the formation of unpaired randomly distributed dislocations as well as geometrically necessary dislocation boundaries. Approximately half of all unpaired dislocations are grouped within the walls. The misorientation created by each boundary and density of unpaired individual dislocations is determined. The origin of the observed plastic deformation is considered in view of the constraints for dislocation arrangements under the applied electric field during electromigration.

  8. Impact of screw and edge dislocations on the thermal conductivity of individual nanowires and bulk GaN: a molecular dynamics study.

    Science.gov (United States)

    Termentzidis, Konstantinos; Isaiev, Mykola; Salnikova, Anastasiia; Belabbas, Imad; Lacroix, David; Kioseoglou, Joseph

    2018-02-14

    We report the thermal transport properties of wurtzite GaN in the presence of dislocations using molecular dynamics simulations. A variety of isolated dislocations in a nanowire configuration are analyzed and found to considerably reduce the thermal conductivity while impacting its temperature dependence in a different manner. Isolated screw dislocations reduce the thermal conductivity by a factor of two, while the influence of edge dislocations is less pronounced. The relative reduction of thermal conductivity is correlated with the strain energy of each of the five studied types of dislocations and the nature of the bonds around the dislocation core. The temperature dependence of the thermal conductivity follows a physical law described by a T -1 variation in combination with an exponent factor that depends on the material's nature, type and the structural characteristics of the dislocation core. Furthermore, the impact of the dislocation density on the thermal conductivity of bulk GaN is examined. The variation and absolute values of the total thermal conductivity as a function of the dislocation density are similar for defected systems with both screw and edge dislocations. Nevertheless, we reveal that the thermal conductivity tensors along the parallel and perpendicular directions to the dislocation lines are different. The discrepancy of the anisotropy of the thermal conductivity grows with increasing density of dislocations and it is more pronounced for the systems with edge dislocations. Besides the fundamental insights of the presented results, these could also be used for the identification of the type of dislocations when one experimentally obtains the evolution of thermal conductivity with temperature since each type of dislocation has a different signature, or one could extract the density of dislocations with a simple measurement of thermal anisotropy.

  9. Selective Laser Sintering of PA2200: Effects of print parameters on density, accuracy, and surface roughness

    Energy Technology Data Exchange (ETDEWEB)

    Bajric, Sendin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-06-12

    Additive manufacturing needs a broader selection of materials for part production. In order for the Los Alamos National Laboratory (LANL) to investigate new materials for selective laser sintering (SLS), this paper reviews research on the effect of print parameters on part density, accuracy, and surface roughness of polyamide 12 (PA12, PA2200). The literature review serves to enhance the understanding of how changing the laser powder, scan speed, etc. will affect the mechanical properties of a commercial powder. By doing so, this understanding will help the investigation of new materials for SLS.

  10. Density functional theory prediction for diffusion of lithium on boron-doped graphene surface

    International Nuclear Information System (INIS)

    Gao Shuanghong; Ren Zhaoyu; Wan Lijuan; Zheng Jiming; Guo Ping; Zhou Yixuan

    2011-01-01

    The density functional theory (DFT) investigation shows that graphene has changed from semimetal to semiconductor with the increasing number of doped boron atoms. Lithium and boron atoms acted as charge contributors and recipients, which attracted to each other. Further investigations show that, the potential barrier for lithium diffusion on boron-doped graphene is higher than that of intrinsic graphene. The potential barrier is up to 0.22 eV when six boron atoms doped (B 6 C 26 ), which is the lowest potential barrier in all the doped graphene. The potential barrier is dramatically affected by the surface structure of graphene.

  11. Critical current density of BiSrCaCuO superconductors: effect of surface barriers

    International Nuclear Information System (INIS)

    Konczykowski, M.; Chikumoto, N.

    1992-01-01

    Effects of surface barriers on vortex motion in BiSrCaCuO-2212 high-temperature superconducting crystals is summarized. Characteristic features of this phenomenon appear in the hysteresis loop (shape of its ascending and descending branches), in the effect of 2.5 MeV electron irradiation, and in flux creep measurements (magnetization dependence to the crystal lateral dimension, size of the flux-creep barrier and the crossover as a function of temperature and time persistent current density). (A.B.). 25 refs., 3 figs

  12. Self-assembled monolayer structures of hexadecylamine on Cu surfaces: density-functional theory.

    Science.gov (United States)

    Liu, Shih-Hsien; Balankura, Tonnam; Fichthorn, Kristen A

    2016-12-07

    We used dispersion-corrected density-functional theory to probe possible structures for adsorbed layers of hexadecylamine (HDA) on Cu(100) and Cu(111). HDA forms self-assembled layers on these surfaces, analogous to alkanethiols on various metal surfaces, and it binds by donating electrons in the amine group to the Cu surface atoms, consistent with experiment. van der Waals interactions between the alkyl tails of HDA molecules are stronger than the interaction between the amine group and the Cu surfaces. Strong HDA-tail interactions lead to coverage-dependent tilting of the HDA layers, such that the tilt angle is larger for lower coverages. At full monolayer coverage, the energetically preferred binding configuration for HDA on Cu(100) is a (5 × 3) pattern - although we cannot rule out incommensurate structures - while the pattern is preferred on Cu(111). A major motivation for this study is to understand the experimentally observed capability of HDA as a capping agent for producing {100}-faceted Cu nanocrystals. Consistent with experiment, we find that HDA binds more strongly to Cu(100) than to Cu(111). This strong binding stems from the capability of HDA to form more densely packed layers on Cu(100), which leads to stronger HDA-tail interactions, as well as the stronger binding of the amine group to Cu(100). We estimate the surface energies of HDA-covered Cu(100) and Cu(111) surfaces and find that these surfaces are nearly isoenergetic. By drawing analogies to previous theoretical work, it seems likely that HDA-covered Cu nanocrystals could have kinetic shapes that primarily express {100} facets, as is seen experimentally.

  13. Surface tension of droplets and Tolman lengths of real substances and mixtures from density functional theory

    Science.gov (United States)

    Rehner, Philipp; Gross, Joachim

    2018-04-01

    The curvature dependence of interfacial properties has been discussed extensively over the last decades. After Tolman published his work on the effect of droplet size on surface tension, where he introduced the interfacial property now known as Tolman length, several studies were performed with varying results. In recent years, however, some consensus has been reached about the sign and magnitude of the Tolman length of simple model fluids. In this work, we re-examine Tolman's equation and how it relates the Tolman length to the surface tension and we apply non-local classical density functional theory (DFT) based on the perturbed chain statistical associating fluid theory (PC-SAFT) to characterize the curvature dependence of the surface tension of real fluids as well as mixtures. In order to obtain a simple expression for the surface tension, we use a first-order expansion of the Tolman length as a function of droplet radius Rs, as δ(Rs) = δ0 + δ1/Rs, and subsequently expand Tolman's integral equation for the surface tension, whereby a second-order expansion is found to give excellent agreement with the DFT result. The radius-dependence of the surface tension of increasingly non-spherical substances is studied for n-alkanes, up to icosane. The infinite diameter Tolman length is approximately δ0 = -0.38 Å at low temperatures. For more strongly non-spherical substances and for temperatures approaching the critical point, however, the infinite diameter Tolman lengths δ0 turn positive. For mixtures, even if they contain similar molecules, the extrapolated Tolman length behaves strongly non-ideal, implying a qualitative change of the curvature behavior of the surface tension of the mixture.

  14. Dislocations and other topological oddities

    Science.gov (United States)

    Pieranski, Pawel

    2016-03-01

    We will show that the book Dislocations by Jacques Friedel, published half a century ago, can still be recommended, in agreement with the author's intention, as a textbook ;for research students at University and for students at engineering schools as well as for research engineers;. Indeed, today dislocations are known to occur not only in solid crystals but also in many other systems discovered more recently such as colloidal crystals or liquid crystals having periodic structures. Moreover, the concept of dislocations is an excellent starting point for lectures on topological defects occurring in systems equipped with order parameters resulting from broken symmetries: disclinations in nematic or hexatic liquid crystals, dispirations in chiral smectics or disorientations in lyotropic liquid crystals. The discussion of dislocations in Blue Phases will give us an opportunity to call on mind Sir Charles Frank, friend of Jacques Friedel since his Bristol years, who called these ephemeral mesophases ;topological oddities;. Being made of networks of disclinations, Blue Phases are similar to Twist Grain Boundary (TGB) smectic phases, which are made of networks of screw dislocations and whose existence was predicted by de Gennes in 1972 on the basis of the analogy between smectics and superconductors. We will stress that the book by Jacques Friedel contains seeds of this analogy.

  15. Calculating the Maximum Density of the Surface Packing of Ions in Ionic Liquids

    Science.gov (United States)

    Kislenko, S. A.; Moroz, Yu. O.; Karu, K.; Ivaništšev, V. B.; Fedorov, M. V.

    2018-05-01

    The maximum density of monolayer packing on a graphene surface is calculated by means of molecular dynamics (MD) for ions of characteristic size and symmetry: 1-butyl-3-methylimidazolium [BMIM]+, tetrabutylammonium [TBA]+, tetrafluoroborate [BF4]-, dicyanamide [DCA]-, and bis(trifluoromethane) sulfonimide [TFSI]-. The characteristic orientations of ions in a closely packed monolayer are found. It is shown that the formation of a closely packed monolayer is possible for [DCA]- and [BF4]- anions only at surface charges that exceed the limit of the electrochemical stability of the corresponding ionic liquids. For the [TBA]+ cation, a monolayer structure can be observed at the charge of nearly 30 μC/cm2 attainable in electrochemical experiment.

  16. Goethite surface reactivity: III. Unifying arsenate adsorption behavior through a variable crystal face - Site density model

    Science.gov (United States)

    Salazar-Camacho, Carlos; Villalobos, Mario

    2010-04-01

    We developed a model that describes quantitatively the arsenate adsorption behavior for any goethite preparation as a function of pH and ionic strength, by using one basic surface arsenate stoichiometry, with two affinity constants. The model combines a face distribution-crystallographic site density model for goethite with tenets of the Triple Layer and CD-MUSIC surface complexation models, and is self-consistent with its adsorption behavior towards protons, electrolytes, and other ions investigated previously. Five different systems of published arsenate adsorption data were used to calibrate the model spanning a wide range of chemical conditions, which included adsorption isotherms at different pH values, and adsorption pH-edges at different As(V) loadings, both at different ionic strengths and background electrolytes. Four additional goethite-arsenate systems reported with limited characterization and adsorption data were accurately described by the model developed. The adsorption reaction proposed is: lbond2 FeOH +lbond2 SOH +AsO43-+H→lbond2 FeOAsO3[2-]…SOH+HO where lbond2 SOH is an adjacent surface site to lbond2 FeOH; with log K = 21.6 ± 0.7 when lbond2 SOH is another lbond2 FeOH, and log K = 18.75 ± 0.9, when lbond2 SOH is lbond2 Fe 2OH. An additional small contribution of a protonated complex was required to describe data at low pH and very high arsenate loadings. The model considered goethites above 80 m 2/g as ideally composed of 70% face (1 0 1) and 30% face (0 0 1), resulting in a site density for lbond2 FeOH and for lbond2 Fe 3OH of 3.125/nm 2 each. Below 80 m 2/g surface capacity increases progressively with decreasing area, which was modeled by considering a progressively increasing proportion of faces (0 1 0)/(1 0 1), because face (0 1 0) shows a much higher site density of lbond2 FeOH groups. Computation of the specific proportion of faces, and thus of the site densities for the three types of crystallographic surface groups present in

  17. Effect of particle surface area on ice active site densities retrieved from droplet freezing spectra

    Directory of Open Access Journals (Sweden)

    H. Beydoun

    2016-10-01

    Full Text Available Heterogeneous ice nucleation remains one of the outstanding problems in cloud physics and atmospheric science. Experimental challenges in properly simulating particle-induced freezing processes under atmospherically relevant conditions have largely contributed to the absence of a well-established parameterization of immersion freezing properties. Here, we formulate an ice active, surface-site-based stochastic model of heterogeneous freezing with the unique feature of invoking a continuum assumption on the ice nucleating activity (contact angle of an aerosol particle's surface that requires no assumptions about the size or number of active sites. The result is a particle-specific property g that defines a distribution of local ice nucleation rates. Upon integration, this yields a full freezing probability function for an ice nucleating particle. Current cold plate droplet freezing measurements provide a valuable and inexpensive resource for studying the freezing properties of many atmospheric aerosol systems. We apply our g framework to explain the observed dependence of the freezing temperature of droplets in a cold plate on the concentration of the particle species investigated. Normalizing to the total particle mass or surface area present to derive the commonly used ice nuclei active surface (INAS density (ns often cannot account for the effects of particle concentration, yet concentration is typically varied to span a wider measurable freezing temperature range. A method based on determining what is denoted an ice nucleating species' specific critical surface area is presented and explains the concentration dependence as a result of increasing the variability in ice nucleating active sites between droplets. By applying this method to experimental droplet freezing data from four different systems, we demonstrate its ability to interpret immersion freezing temperature spectra of droplets containing variable particle concentrations. It is shown

  18. Dislocation core structures in Si-doped GaN

    International Nuclear Information System (INIS)

    Rhode, S. L.; Fu, W. Y.; Sahonta, S.-L.; Kappers, M. J.; Humphreys, C. J.; Horton, M. K.; Pennycook, T. J.; Dusane, R. O.; Moram, M. A.

    2015-01-01

    Aberration-corrected scanning transmission electron microscopy was used to investigate the core structures of threading dislocations in plan-view geometry of GaN films with a range of Si-doping levels and dislocation densities ranging between (5 ± 1) × 10 8  and (10 ± 1) × 10 9  cm −2 . All a-type (edge) dislocation core structures in all samples formed 5/7-atom ring core structures, whereas all (a + c)-type (mixed) dislocations formed either double 5/6-atom, dissociated 7/4/8/4/9-atom, or dissociated 7/4/8/4/8/4/9-atom core structures. This shows that Si-doping does not affect threading dislocation core structures in GaN. However, electron beam damage at 300 keV produces 4-atom ring structures for (a + c)-type cores in Si-doped GaN

  19. Dislocation core structures in Si-doped GaN

    Energy Technology Data Exchange (ETDEWEB)

    Rhode, S. L., E-mail: srhode@imperial.ac.uk; Fu, W. Y.; Sahonta, S.-L.; Kappers, M. J.; Humphreys, C. J. [Department of Materials Science and Metallurgy, University of Cambridge, Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Horton, M. K. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Pennycook, T. J. [SuperSTEM, STFC Daresbury Laboratories, Warrington WA4 4AD (United Kingdom); Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Dusane, R. O. [Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Mumbai 400076 (India); Moram, M. A. [Department of Materials Science and Metallurgy, University of Cambridge, Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom)

    2015-12-14

    Aberration-corrected scanning transmission electron microscopy was used to investigate the core structures of threading dislocations in plan-view geometry of GaN films with a range of Si-doping levels and dislocation densities ranging between (5 ± 1) × 10{sup 8} and (10 ± 1) × 10{sup 9} cm{sup −2}. All a-type (edge) dislocation core structures in all samples formed 5/7-atom ring core structures, whereas all (a + c)-type (mixed) dislocations formed either double 5/6-atom, dissociated 7/4/8/4/9-atom, or dissociated 7/4/8/4/8/4/9-atom core structures. This shows that Si-doping does not affect threading dislocation core structures in GaN. However, electron beam damage at 300 keV produces 4-atom ring structures for (a + c)-type cores in Si-doped GaN.

  20. Density Functional Theory and Atomic Force Microscopy Study of Oleate Functioned on Siderite Surface

    Directory of Open Access Journals (Sweden)

    Lixia Li

    2018-01-01

    Full Text Available Efficiently discovering the interaction of the collector oleate and siderite is of great significance for understanding the inherent function of siderite weakening hematite reverse flotation. For this purpose, investigation of the adsorption behavior of oleate on siderite surface was performed by density functional theory (DFT calculations associating with atomic force microscopy (AFM imaging. The siderite crystal geometry was computationally optimized via convergence tests. Calculated results of the interaction energy and the Mulliken population verified that the collector oleate adsorbed on siderite surface and the covalent bond was established as a result of electrons transferring from O1 atoms (in oleate molecule to Fe1 atoms (in siderite lattice. Therefore, valence-electrons’ configurations of Fe1 and O1 changed into 3d6.514s0.37 and 2s1.832p4.73 from 3d6.214s0.31 and 2s1.83p4.88 correspondingly. Siderite surfaces with or without oleate functioned were examined with the aid of AFM imaging in PeakForce Tapping mode, and the functioned siderite surface was found to be covered by vesicular membrane matters with the average roughness of 16.4 nm assuring the oleate adsorption. These results contributed to comprehending the interaction of oleate and siderite.

  1. The influence of land surface parameters on energy flux densities derived from remote sensing data

    Energy Technology Data Exchange (ETDEWEB)

    Tittebrand, A.; Schwiebus, A. [Inst. for Hydrology und Meteorology, TU Dresden (Germany); Berger, F.H. [Observatory Lindenberg, German Weather Service, Lindenberg (Germany)

    2005-04-01

    Knowledge of the vegetation properties surface reflectance, normalised difference vegetation index (NDVI) and leaf area index (LAI) are essential for the determination of the heat and water fluxes between terrestrial ecosystems and the atmosphere. Remote sensing data can be used to derive spatial estimates of the required surface properties. The determination of land surface parameters and their influence on radiant and energy flux densities is investigated with data of different remote sensing systems. Sensitivity studies show the importance of correctly derived land surface properties to estimate the key quantity of the hydrological cycle, the evapotranspiration (L.E), most exactly. In addition to variable parameters like LAI or NDVI there are also parameters which are can not be inferred from satellite data but needed for the Penman-Monteith approach. Fixed values are assumed for these variables because they have little influence on L.E. Data of Landsat-7 ETM+ and NOAA-16 AVHRR are used to show results in different spatial resolution. The satellite derived results are compared with ground truth data provided by the Observatory Lindenberg of the German Weather Service. (orig.)

  2. Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

    Science.gov (United States)

    Tachikawa, Hiroto

    2017-02-01

    Polycyclic aromatic hydrocarbons (PAHs) provide a 2-dimensional (2D) reaction surface in 3-dimensional (3D) interstellar space and have been utilized as a model of graphene surfaces. In the present study, the reaction of PAHs with atomic hydrogen was investigated by means of density functional theory (DFT) to systematically elucidate the binding nature of atomic hydrogen to graphene nanoflakes. PAHs with n = 4-37 were chosen, where n indicates the number of benzene rings. Activation energies of hydrogen addition to the graphene surface were calculated to be 5.2-7.0 kcal/mol at the CAM-B3LYP/6-311G(d,p) level, which is almost constant for all PAHs. The binding energies of hydrogen atom were slightly dependent on the size (n): 14.8-28.5 kcal/mol. The absorption spectra showed that a long tail is generated at the low-energy region after hydrogen addition to the graphene surface. The electronic states of hydrogenated graphenes were discussed on the basis of theoretical results.

  3. Prediction of dislocation boundary characteristics

    DEFF Research Database (Denmark)

    Winther, Grethe

    Plastic deformation of both fcc and bcc metals of medium to high stacking fault energy is known to result in dislocation patterning in the form of cells and extended planar dislocation boundaries. The latter align with specific crystallographic planes, which depend on the crystallographic......) and it is found that to a large extent the dislocations screen each other’s elastic stress fields [3]. The present contribution aims at advancing the previous theoretical analysis of a boundary on a known crystallographic plane to actual prediction of this plane as well as other boundary characteristics....... Crystal plasticity calculations combined with the hypothesis that these boundaries separate domains with local differences in the slip system activity are introduced to address precise prediction of the experimentally observed boundaries. The presentation will focus on two cases from fcc metals...

  4. Interferometric SAR and land deformation. Analysis using the dislocation model; Interferometric SAR to chikaku hendo. Dislocation model wo mochiita kaiseki

    Energy Technology Data Exchange (ETDEWEB)

    Matsushima, J; Otaki, T; Tanaka, A; Miyazaki, Y [Geological Survey of Japan, Tsukuba (Japan)

    1996-05-01

    The diastrophism by the earthquake-induced dislocation is investigated by interferometry (INSAR) which represents the diastrophism by the interference fringes of equiphase difference lines. A joint research group at Geographical Survey Institute and National Space Development Agency showed the diastrophism in the vicinity of the ground surfaces before and after the Hyogoken Nanbu Earthquake by the INSAR interference images in 1995. This paper discusses the effects of observation in the vision line direction from the satellite and dislocation parameters on the interference images. The dislocation model uses a slanted rectangular model in a semi-infinite medium, to calculate static displacements and strain distributions at the ground surface, when dislocation changes. It is found that the INSAR interference images, detecting displacements in the vision line direction from the satellite, significantly change as the vision line direction changes, and that the actual displacement cannot be given by the images alone. This paper also shows sensitivity of the interference images to the dislocation parameters. 3 refs., 9 figs., 1 tab.

  5. In Situ Evaluation of Density, Viscosity and Thickness of Adsorbed Soft Layers by Combined Surface Acoustic Wave and Surface Plasmon Resonance

    OpenAIRE

    Francis, L.; Friedt, J. -M.; Zhou, C.; Bertrand, P.

    2003-01-01

    We show the theoretical and experimental combination of acoustic and optical methods for the in situ quantitative evaluation of the density, the viscosity and the thickness of soft layers adsorbed on chemically tailored metal surfaces. For the highest sensitivity and an operation in liquids, a Love mode surface acoustic wave (SAW) sensor with a hydrophobized gold coated sensing area is the acoustic method, while surface plasmon resonance (SPR) on the same gold surface as the optical method is...

  6. The Surface Density Profile of the Galactic Disk from the Terminal Velocity Curve

    Science.gov (United States)

    McGaugh, Stacy S.

    2016-01-01

    The mass distribution of the Galactic disk is constructed from the terminal velocity curve and the mass discrepancy-acceleration relation. Mass models numerically quantifying the detailed surface density profiles are tabulated. For R0 = 8 kpc, the models have stellar mass 5 spiral galaxy that obeys scaling relations like the Tully-Fisher relation, the size-mass relation, and the disk maximality-surface brightness relation. The stellar disk is maximal, and the spiral arms are massive. The bumps and wiggles in the terminal velocity curve correspond to known spiral features (e.g., the Centaurus arm is a ˜50% overdensity). The rotation curve switches between positive and negative over scales of hundreds of parsecs. The rms amplitude { }1/2≈ 14 {km} {{{s}}}-1 {{kpc}}-1, implying that commonly neglected terms in the Jeans equations may be nonnegligible. The spherically averaged local dark matter density is ρ0,DM ≈ 0.009 {M}⊙ {{pc}}-3 (0.34 {GeV} {{cm}}-3). Adiabatic compression of the dark matter halo may help reconcile the Milky Way with the c-V200 relation expected in ΛCDM while also helping to mitigate the too-big-to-fail problem, but it remains difficult to reconcile the inner bulge/bar-dominated region with a cuspy halo. We note that NGC 3521 is a near twin to the Milky Way, having a similar luminosity, scale length, and rotation curve.

  7. Density functional calculation of electronic surface structure and Fe adsorption on ZnO (0001) and (000 anti 1)

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Sougata; Jasper-Toennies, Torben; Hack, Michael; Pehlke, Eckhard [Institut fuer Theoretische Physik und Astrophysik, Universitaet Kiel (Germany)

    2011-07-01

    The structure and electronic properties of the ZnO(0001) and ZnO(000 anti 1) surfaces as studied by density functional calculations are presented. The stability of the surface has already been investigated by various groups. The electronic surface band structure, however, in particular the existence of surface states and the differences between experimental band dispersion for both terminations, still appears to pose open problems. To address these issues, we compare Kohn Sham band structures and electrostatic potentials close to the surface for the relaxed (1 x 1)-surface, (2 x 2) vacancy reconstructions, and surfaces with pits. In particular the effect of the bending of the electrostatic potential at the surface on the eigenstates is quantified. Comparing the adsorption energies of Fe atoms for various adsorption sites on ZnO(000 anti 1), the fcc hollow position turned out to be energetically favorable. The oxidation state of the Fe atom is derived from the projected density of states.

  8. Relaxation strain measurements in cellular dislocation structures

    International Nuclear Information System (INIS)

    Tsai, C.Y.; Quesnel, D.J.

    1984-01-01

    The conventional picture of what happens during a stress relaxation usually involves imagining the response of a single dislocation to a steadily decreasing stress. The velocity of this dislocation decreases with decreasing stress in such a way that we can measure the stress dependence of the dislocation velocity. Analysis of the data from a different viewpoint enables us to calculate the apparent activation volume for the motion of the dislocation under the assumption of thermally activated glie. Conventional thinking about stress relaxation, however, does not consider the eventual fate of this dislocation. If the stress relaxes to a low enough level, it is clear that the dislocation must stop. This is consistent with the idea that we can determine the stress dependence of the dislocation velocity from relaxation data only for those cases where the dislocation's velocity is allowed to approach zero asymptotically, in short, for those cases where the dislocation never stops. This conflict poses a dilemma for the experimentalist. In real crystals, however, obstacles impede the dislocation's progress so that those dislocations which are stopped at a given stress will probably never resume motion under the influence of the steadily declining stress present during relaxation. Thus one could envision stress relaxation as a process of exhaustion of mobile dislocations, rather than a process of decreasing dislocation velocity. Clearly both points of view have merit and in reality both mechanisms contribute to the phenomena

  9. Irreducible Traumatic Posterior Shoulder Dislocation

    Directory of Open Access Journals (Sweden)

    Blake Collier

    2017-01-01

    Full Text Available History of present illness: A 22-year-old male presented to the Emergency Department complaining of right shoulder pain after a motocross accident. He was traveling at approximately 10 mph around a turn when he lost control and was thrown over the handlebars, landing directly on his right shoulder. On arrival, he was holding his arm in adduction and internal rotation. An area of swelling was noted over his anterior shoulder. He was unable to abduct his shoulder. No humeral gapping was noted. He had normal neuro-vascular status distal to the injury. Significant findings: Radiographs demonstrated posterior displacement of the humeral head on the “Y” view (see white arrow and widening of the glenohumeral joint space on anterior-posterior view (see red arrow. The findings were consistent with posterior dislocation and a Hill-Sachs type deformity. Sedation was performed and reduction was attempted using external rotation, traction counter-traction. An immediate “pop” was felt during the procedure. Post-procedure radiographs revealed a persistent posterior subluxation with interlocking at posterior glenoid. CT revealed posterior dislocation with acute depressed impaction deformity medial to the biceps groove with the humeral head perched on the posterior glenoid, interlocked at reverse Hill-Sachs deformity (see blue arrow. Discussion: Posterior shoulder dislocations are rare and represent only 2% of all shoulder dislocations. Posterior shoulder dislocations are missed on initial diagnosis in more than 60% of cases.1 Posterior shoulder dislocations result from axial loading of the adducted and internally rotated shoulder, violent muscle contractions (resulting from seizures or electrocution, a direct posterior force applied to the anterior shoulder.1 Physical findings include decreased anterior prominence of the humeral head, increased palpable posterior prominence of the humeral head below the acromion, increased palpable prominence of the

  10. Bipolar dislocation of the clavicle

    Directory of Open Access Journals (Sweden)

    Wei Jiang

    2012-01-01

    Full Text Available Bipolar dislocation of the clavicle at acromioclavicular and sternoclavicular joint is an uncommon traumatic injury. The conservative treatments adopted in the past is associated with redislocation dysfunction and deformity. A 41 years old lady with bipolar dislocation of right shoulder is treated surgically by open reduction and internal fixation by oblique T-plate at sternoclavicular joint and Kirschner wire stabilization at acromioclavicular joint. The patient showed satisfactory recovery with full range of motion of the right shoulder and normal muscular strength. The case reported in view of rarity and at 2 years followup.

  11. Toward accurate prediction of potential energy surfaces and the spectral density of hydrogen bonded systems

    International Nuclear Information System (INIS)

    Rekik, Najeh

    2014-01-01

    Despite the considerable progress made in quantum theory and computational methods, detailed descriptions of the potential energy surfaces of hydrogen-bonded systems have not yet been achieved. In addition, the hydrogen bond (H-bond) itself is still so poorly understood at the fundamental level that it remains unclear exactly what geometry constitutes a “real” H-bond. Therefore, in order to investigate features essential for hydrogen bonded complexes, a simple, efficient, and general method for calculating matrix elements of vibrational operators capable of describing the stretching modes and the H-bond bridges of hydrogen-bonded systems is proposed. The derived matrix elements are simple and computationally easy to evaluate, which makes the method suitable for vibrational studies of multiple-well potentials. The method is illustrated by obtaining potential energy surfaces for a number of two-dimensional systems with repulsive potentials chosen to be in Gaussian form for the stretching mode and of the Morse-type for the H-bond bridge dynamics. The forms of potential energy surfaces of weak and strong hydrogen bonds are analyzed by varying the asymmetry of the Gaussian potential. Moreover, the choice and applicability of the selected potential for the stretching mode and comparison with other potentials used in the area of hydrogen bond research are discussed. The approach for the determination of spectral density has been constructed in the framework of the linear response theory for which spectral density is obtained by Fourier transform of the autocorrelation function of the dipole moment operator of the fast mode. The approach involves anharmonic coupling between the high frequency stretching vibration (double well potential) and low-frequency donor-acceptor stretching mode (Morse potential) as well as the electrical anharmonicity of the dipole moment operator of the fast mode. A direct relaxation mechanism is incorporated through a time decaying exponential

  12. Sea surface density gradients in the Nordic Seas during the Holocene as revealed by paired microfossil and isotope proxies

    DEFF Research Database (Denmark)

    Van Nieuwenhove, Nicolas; Hillaire-Marcel, Claude; Bauch, Henning A.

    2016-01-01

    We attempt to assess the Holocene surface-subsurface seawater density gradient on millennial time-scale based on the reconstruction of potential density (σθ) by combining data from dinoflagellate cyst assemblages and planktic foraminiferal (Neogloboquadrina pachyderma (s)) stable oxygen isotopes (δ...

  13. The movement of screw dislocations in tungsten

    International Nuclear Information System (INIS)

    Tian Xiaogeng; Woo Chungho

    2004-01-01

    Using Acland potential for tungsten, the movement of 1/2a screw dislocation under shear stress was investigated by molecular dynamics simulation. Equilibrated core structure was obtained by relaxation of screw dislocation with proper boundary conditions. We found that the equilibrium dislocation core has three-fold symmetry and spread out in three direction on {1 1 0} planes. The screw dislocation core could not keep the original shape when the shear stress applied. The dislocation could not move until the shear stress became large enough. The dislocation moved in zigzag when the shear stress neared the Peierls stress. When the shear stress became larger, the dislocation moved in zigzag at the beginning and than moved almost in straight line in [2-bar11] direction. The large shear stress applied, the long distance moved before the dislocation stilled in z-direction and the large velocity in y-direction

  14. Modulation of electromagnetic local density of states by coupling of surface phonon-polariton

    Science.gov (United States)

    Li, Yao; Zhang, Chao-Jie; Wang, Tong-Biao; Liu, Jiang-Tao; Yu, Tian-Bao; Liao, Qing-Hua; Liu, Nian-Hua

    2017-02-01

    We studied the electromagnetic local density of state (EM-LDOS) near the surface of a one-dimensional multilayer structure (1DMS) alternately stacked by SiC and Si. EM-LDOS of a semi-infinite bulk appears two intrinsic peaks due to the resonance of surface phonon-polariton (SPhP) in SiC. In contrast with that of SiC bulk, SPhP can exist at the interface of SiC and Si for the 1DMS. The SPhPs from different interfaces can couple together, which can lead to a significant modulation of EM-LDOS. When the component widths of 1DMS are large, the spectrum of EM-LDOS exhibits oscillation behavior in the frequency regime larger than the resonance frequency of SPhP. While the component widths are small, due to the strong coupling of SPhPs, another peak appears in the EM-LDOS spectrum besides the two intrinsic ones. And the position of the new peak move toward high frequency when the width ratio of SiC and Si increases. The influences of distance from the surfaces and period of 1DMS on EM-LDOS have also been studied in detail. The results are helpful in studying the near-field radiative heat transfer and spontaneous emission.

  15. GAMA/H-ATLAS: THE DUST OPACITY-STELLAR MASS SURFACE DENSITY RELATION FOR SPIRAL GALAXIES

    Energy Technology Data Exchange (ETDEWEB)

    Grootes, M. W.; Tuffs, R. J.; Andrae, E. [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg (Germany); Popescu, C. C.; Pastrav, B. [Jeremiah Horrocks Institute, University of Central Lancashire, Preston PR1 2HE (United Kingdom); Gunawardhana, M.; Taylor, E. N. [Sydney Institute for Astronomy, School of Physics, University of Sydney, NSW 206 (Australia); Kelvin, L. S.; Driver, S. P. [Scottish Universities' Physics Alliance (SUPA), School of Physics and Astronomy, University of St. Andrews, North Haugh, St. Andrews KY16 9SS (United Kingdom); Liske, J. [European Southern Observatory, Karl-Schwarzschild Str. 2, D-85748 Garching (Germany); Seibert, M. [Observatories of the Carnegie Institution for Science, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); Graham, Alister W. [Centre for Astrophysics and Supercomputing, Swinburne University of Technology, Hawthorn, Victoria 3122 (Australia); Baes, M. [Sterrenkundig Observatorium, Universiteit Gent, Krijgslaan 281 S9, B-9000 Gent (Belgium); Baldry, I. K. [Astrophysics Research Institute, Liverpool John Moores University, Twelve Quays House, Egerton Wharf, Birkenhead CH41 1LD (United Kingdom); Bourne, N. [Centre for Astronomy and Particle Theory, The School of Physics and Astronomy, Nottingham University, University Park Campus, Nottingham NG7 2RD (United Kingdom); Brough, S. [Australian Astronomical Observatory, P.O. Box 296, Epping, NSW 1710 (Australia); Cooray, A. [Department of Physics and Astronomy, University of California, Irvine, CA 92697 (United States); Dariush, A. [Physics Department, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); De Zotti, G. [INAF-Osservatorio Astronomico di Padova, Vicolo Osservatorio 5, I-35122 Padova (Italy); Dunne, L., E-mail: meiert.grootes@mpi-hd.mpg.de [Department of Physics and Astronomy, University of Canterbury, Private Bag 4800, Christchurch 8140 (New Zealand); and others

    2013-03-20

    We report the discovery of a well-defined correlation between B-band face-on central optical depth due to dust, {tau}{sup f}{sub B}, and the stellar mass surface density, {mu}{sub *}, of nearby (z {<=} 0.13) spiral galaxies. This relation was derived from a sample of spiral galaxies taken from the Galaxy and Mass Assembly (GAMA) survey, which were detected in the FIR/submillimeter (submm) in the Herschel-ATLAS science demonstration phase field. Using a quantitative analysis of the NUV attenuation-inclination relation for complete samples of GAMA spirals categorized according to stellar mass surface density, we demonstrate that this correlation can be used to statistically correct for dust attenuation purely on the basis of optical photometry and Sersic-profile morphological fits. Considered together with previously established empirical relationships of stellar mass to metallicity and gas mass, the near linearity and high constant of proportionality of the {tau}{sub B}{sup f} - {mu}{sub *} relation disfavors a stellar origin for the bulk of refractory grains in spiral galaxies, instead being consistent with the existence of a ubiquitous and very rapid mechanism for the growth of dust in the interstellar medium. We use the {tau}{sub B}{sup f} - {mu}{sub *} relation in conjunction with the radiation transfer model for spiral galaxies of Popescu and Tuffs to derive intrinsic scaling relations between specific star formation rate (SFR), stellar mass, and stellar surface density, in which attenuation of the UV light used for the measurement of SFR is corrected on an object-to-object basis. A marked reduction in scatter in these relations is achieved which we demonstrate is due to correction of both the inclination-dependent and face-on components of attenuation. Our results are consistent with a general picture of spiral galaxies in which most of the submm emission originates from grains residing in translucent structures, exposed to UV in the diffuse interstellar

  16. Posterior Dislocation of the Hip

    African Journals Online (AJOL)

    than 24 hours, and 13 more than 48 hours after injury. (Table II). TABLE If. RESULTS PLOITED AGAINST DELAY IN. REDUCTION OF THE DISLOCATION. Time from injury. (h). Excellent. Poor and fair. Total. 48. 7. 6. 13. Reduction, as a rule, was effected under general anaes-.

  17. Scattering of phonons by dislocations

    International Nuclear Information System (INIS)

    Anderson, A.C.

    1979-01-01

    By 1950, an explicit effort had been launched to use lattice thermal conductivity measurements in the investigation of defect structures in solids. This technique has been highly successful, especially when combined with the measurements of other properties such as optical absorption. One exception has been the study of dislocations. Although dislocations have a profound effect on the phonon thermal conductivity, the mechanisms of the phonon-dislocation interaction are poorly understood. The most basic questions are still debated in the literature. It therefore is pointless to attempt a quantitative comparison between an extensive accumulation of experimental data on the one hand, and the numerous theoretical models on the other. Instead, this chapter will attempt to glean a few qualitative conclusions from the existing experimental data. These results will then be compared with two general models which incorporate, in a qualitative manner, most of the proposed theories of the phonon-dislocation interaction. Until very recently, measurement of thermal conductivity was the only means available to probe the interaction between phonons and defects at phonon frequencies above the standard ultrasonic range of approx. = 10 9 Hz. The introductory paragraphs provide a brief review of the thermal-conductivity technique and the problems which are encountered in practice. There is also a brief presentation of the theoretical models and the complications that may occur in more realistic situations

  18. Properties of dislocations in Cu(In,Ga)Se2 film and their formation during growth

    Energy Technology Data Exchange (ETDEWEB)

    Dietrich, Jens; Boit, Christian [Technische Universitaet Berlin, Department of Semiconductor Devices, Einsteinufer 19, 10587 Berlin (Germany); Abou-Ras, Daniel; Rissom, Thorsten; Unold, Thomas; Schock, Hans-Werner [Helmholtz Zentrum Berlin fuer Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Niermann, Tore; Lehmann, Michael [Technische Universitaet Berlin, Institute of Optics and Atomic Physics, Hardenbergstrasse 36, 10623 Berlin (Germany)

    2012-07-01

    Transmission electron microscopy (TEM) studies were performed on Cu(In,Ga)Se2 (CIGSe) thin films for solar cells with a special focus on dislocations. A sample series of glass/Mo/CIGSe stacks with varying [Cu]/([Ga]+[In]) ratio were prepared by interrupting the growth processes at several stages. TEM imaging and elemental distribution maps by energy-dispersive X-ray spectroscopy gave structural and compositional information at certain film growth states. Furthermore, high resolution TEM imaging was used to confirm a structural model of dislocations in complete CIGSe solar cells and by means of in-line electron holography we examined changes in the mean inner potential. A decrease of the mean inner potential at the position of the dislocations was observed. This might be attributed to a change of the atomic density due to the dislocation, a local segregation or a charge at the dislocation core.

  19. Dislocation mediated alignment during metal nanoparticle coalescence

    International Nuclear Information System (INIS)

    Lange, A.P.; Samanta, A.; Majidi, H.; Mahajan, S.; Ging, J.; Olson, T.Y.; Benthem, K. van; Elhadj, S.

    2016-01-01

    Dislocation mediated alignment processes during gold nanoparticle coalescence were studied at low and high temperatures using molecular dynamics simulations and transmission electron microscopy. Particles underwent rigid body rotations immediately following attachment in both low temperature (500 K) simulated coalescence events and low temperature (∼315 K) transmission electron microscopy beam heating experiments. In many low temperature simulations, some degree of misorientation between particles remained after rigid body rotations, which was accommodated by grain boundary dislocation nodes. These dislocations were either sessile and remained at the interface for the duration of the simulation or dissociated and cross-slipped through the adjacent particles, leading to improved co-alignment. Minimal rigid body rotations were observed during or immediately following attachment in high temperature (1100 K) simulations, which is attributed to enhanced diffusion at the particles' interface. However, rotation was eventually induced by {111} slip on planes parallel to the neck groove. These deformation modes led to the formation of single and multi-fold twins whose structures depended on the initial orientation of the particles. The driving force for {111} slip is attributed to high surface stresses near the intersection of low energy {111} facets in the neck region. The details of this twinning process were examined in detail using simulated trajectories, and the results reveal possible mechanisms for the nucleation and propagation of Shockley partials on consecutive planes. Deformation twinning was also observed in-situ using transmission electron microscopy, which resulted in the co-alignment of a set of the particles' {111} planes across their grain boundary and an increase in their dihedral angle. This constitutes the first detailed experimental observation of deformation twinning during nanoparticle coalescence, validating simulation results presented here and

  20. Formation of dislocation dipoles in irradiated graphite

    International Nuclear Information System (INIS)

    Niwase, Keisuke

    2005-01-01

    Recently, we have proposed a dislocation dipole accumulation model to explain the irradiation-induced amorphization of graphite. However, the structure of dislocation dipole in the hexagonal networks is still an open question at the atomic-level. In this paper, we propose a possible formation process of the dislocation dipole

  1. Change in equilibrium position of misfit dislocations at the GaN/sapphire interface by Si-ion implantation into sapphire—I. Microstructural characterization

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sung Bo, E-mail: bolee@snu.ac.kr; Han, Heung Nam, E-mail: hnhan@snu.ac.kr; Lee, Dong Nyung [Department of Materials Science and Engineering and Research Institute of Advanced Materials (RIAM), Seoul National University, Seoul 151-744 (Korea, Republic of); Ju, Jin-Woo [Korea Photonics Technology Institute, Gwangju 500-779 (Korea, Republic of); Kim, Young-Min; Yoo, Seung Jo; Kim, Jin-Gyu [Korea Basic Science Institute, Daejeon 305-806 (Korea, Republic of)

    2015-07-15

    Much research has been done to reduce dislocation densities for the growth of GaN on sapphire, but has paid little attention to the elastic behavior at the GaN/sapphire interface. In this study, we have examined effects of the addition of Si to a sapphire substrate on its elastic property and on the growth of GaN deposit. Si atoms are added to a c-plane sapphire substrate by ion implantation. The ion implantation results in scratches on the surface, and concomitantly, inhomogeneous distribution of Si. The scratch regions contain a higher concentration of Si than other regions of the sapphire substrate surface, high-temperature GaN being poorly grown there. However, high-temperature GaN is normally grown in the other regions. The GaN overlayer in the normally-grown regions is observed to have a lower TD density than the deposit on the bare sapphire substrate (with no Si accommodated). As compared with the film on an untreated, bare sapphire, the cathodoluminescence defect density decreases by 60 % for the GaN layer normally deposited on the Si-ion implanted sapphire. As confirmed by a strain mapping technique by transmission electron microscopy (geometric phase analysis), the addition of Si in the normally deposited regions forms a surface layer in the sapphire elastically more compliant than the GaN overlayer. The results suggest that the layer can largely absorb the misfit strain at the interface, which produces the overlayer with a lower defect density. Our results highlight a direct correlation between threading-dislocation density in GaN deposits and the elastic behavior at the GaN/sapphire interface, opening up a new pathway to reduce threading-dislocation density in GaN deposits.

  2. Polystyrene sphere monolayer assisted electrochemical deposition of ZnO nanorods with controlable surface density

    Energy Technology Data Exchange (ETDEWEB)

    Ramirez, D., E-mail: daniel.ramirez@ucv.c [Laboratorio de Electroquimica, Pontificia Universidad Catolica de Valparaiso, Valparaiso (Chile); Gomez, H. [Laboratorio de Electroquimica, Pontificia Universidad Catolica de Valparaiso, Valparaiso (Chile); Lincot, D. [Institute de Recherche et Developpement sur l' Energie Photovoltaique-IRDEP, 6 Quai Watier 78401, Chatou Cedex (France)

    2010-02-15

    In this paper we report the zinc oxide nanorods (ZnO NRs) growth by electrochemical deposition onto polycrystalline gold electrodes modified with assemblies of polystyrene sphere monolayers (PSSMs). Growth occurs through the interstitial spaces between the hexagonally close packed spheres. ZnO NRs nucleate in the region where three adjacent spheres leave a space, being able to grow and projected over the PSSMs. The nanorod surface density (N{sub NR}) shows a linear dependence with respect to a PS sphere diameter selected. XRD analysis shows these ZnO NRs are highly oriented along the (0 0 2) plane (c-axis). This open the possibility to have electronic devices with mechanically supported nanometric materials.

  3. Effect of Ar ion on the surface properties of low density polyethylene

    Science.gov (United States)

    Zaki, M. F.

    2016-04-01

    In this paper, low-density polyethylene (LDPE) was irradiated by argon ion with different fluences up to 1015ions/cm2. The optical, chemical and hardness properties have been investigated using UV-Vis spectroscopy, Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM) and micro-indentation tester, respectively. The results showed the ion beam bombardment induced decreases in the transmittance of the irradiated polymer samples. This change in transmittance can be attributed to the formation of conjugated bonds i.e. possible formation of defects and/or carbon clusters. The indirect optical band gap decreased from 3.0 eV for the pristine sample to 2.3 eV for that sample irradiated with the highest fluence of the Ar ion beam. Furthermore, the number of carbon atoms and clusters increased with increasing Ar ion fluences. FTIR spectra showed the formation of new bands of the bombarded polymer samples. Furthermore, polar groups were created on the surface of the irradiated samples which refer to the increase of the hydrophilic nature of the surface of the irradiated samples. The Vicker's hardness increased from 4.9 MPa for the pristine sample to 17.9 MPa for those bombarded at the highest fluence. This increase is attributed to the increase in the crosslinking and alterations of the bombarded surface into hydrogenated amorphous carbon, which improves the hardness of the irradiated samples. The bombarded LDPE surfaces may be used in special applications to the field of the micro-electronic devices and shock absorbers.

  4. Medial subtalar dislocation: Case report

    Directory of Open Access Journals (Sweden)

    Manojlović Radovan

    2010-01-01

    Full Text Available Introduction. Subtalar dislocation (SI is a term that refers to an injury in which there is dislocation of the talonavicular and talocalcanear joint, although the tibiotalar joint is intact. Case Outline. A case of medial subtalar dislocation as a result of basketball injury, so-called 'basketball foot', is presented. Closed reposition in i.v. anaesthesia was performed with the patient in supine position and a knee flexed at 90 degrees. Longitudinal manual traction in line of deformity was carried out in plantar flexion. The reposition continued with abduction and eversion simultaneously increasing dorsiflexion. It was made in the first attempt and completed instantly. Rehabilitation was initiated after 5 weeks of immobilization. One year after the injury, the functional outcome was excellent with full range of motion and the patient was symptom-free. For better interpretation of roentgenogram, bone model of subtalar dislocation was made using the cadaver bone. Conclusion. Although the treatment of such injury is usually successful, diagnosis can be difficult because it is a rare injury, and moreover, X-ray of the injury can be confusing due to superposition of bones. Radiograms revealed superposition of the calcaneus, tarsal and metatarsal bones which was radiographically visualized in the anterior-posterior projection as one osseous block inward from the talus, and on the lateral view as in an osteal block below the tibial bone. Prompt recognition of these injuries followed by proper, delicately closed reduction under anaesthesia is crucial for achieving a good functional result in case of medial subtalar dislocation.

  5. [Classification and Treatment of Sacroiliac Joint Dislocation].

    Science.gov (United States)

    Tan, Zhen; Huang, Zhong; Li, Liang; Meng, Wei-Kun; Liu, Lei; Zhang, Hui; Wang, Guang-Lin; Huang, Fu-Guo

    2017-09-01

    To develop a renewed classification and treatment regimen for sacroiliac joint dislocation. According to the direction of dislocation of sacroiliac joint,combined iliac,sacral fractures,and fracture morphology,sacroiliac joint dislocation was classified into 4 types. Type Ⅰ (sacroiliac anterior dislocation): main fracture fragments of posterior iliac wing dislocated in front of sacroiliac joint. Type Ⅱ (sacroiliac posterior dislocation): main fracture fragments of posterior iliac wing dislocated in posterior of sacroiliac joint. Type Ⅲ (Crescent fracturedislocation of the sacroiliac joint): upward dislocation of posterior iliac wing with oblique fracture through posterior iliac wing. Type ⅢA: a large crescent fragment and dislocation comprises no more than onethird of sacroiliac joint,which is typically inferior. Type ⅢB: intermediatesize crescent fragment and dislocation comprises between one and twothirds of joint. Type ⅢC: a small crescent fragment where dislocation comprises most,but not the entire joint. Different treatment regimens were selected for different types of fractures. Treatment for type Ⅰ sacroiliac joint dislocation: anterior iliac fossa approach pry stripping reset; sacroiliac joint fixed with sacroiliac screw through percutaneous. Treatment for type Ⅱ sacroiliac joint dislocation: posterior sacroiliac joint posterior approach; sacroiliac joint fixed with sacroiliac screw under computer guidance. Treatment for type ⅢA and ⅢB sacroiliac joint dislocation: posterior sacroiliac joint approach; sacroiliac joint fixed with reconstruction plate. Treatment for type ⅢC sacroiliac joint dislocation: sacroiliac joint closed reduction; sacroiliac joint fixed with sacroiliac screw through percutaneous. Treatment for type Ⅳ sacroiliac joint dislocation: posterior approach; sacroiliac joint fixed with spinal pelvic fixation. Results of 24 to 72 months patient follow-up (mean 34.5 months): 100% survival,100% wound healing,and 100

  6. A surface structural model for ferrihydrite I: Sites related to primary charge, molar mass, and mass density

    Science.gov (United States)

    Hiemstra, Tjisse; Van Riemsdijk, Willem H.

    2009-08-01

    A multisite surface complexation (MUSIC) model for ferrihydrite (Fh) has been developed. The surface structure and composition of Fh nanoparticles are described in relation to ion binding and surface charge development. The site densities of the various reactive surface groups, the molar mass, the mass density, the specific surface area, and the particle size are quantified. As derived theoretically, molecular mass and mass density of nanoparticles will depend on the types of surface groups and the corresponding site densities and will vary with particle size and surface area because of a relatively large contribution of the surface groups in comparison to the mineral core of nanoparticles. The nano-sized (˜2.6 nm) particles of freshly prepared 2-line Fh as a whole have an increased molar mass of M ˜ 101 ± 2 g/mol Fe, a reduced mass density of ˜3.5 ± 0.1 g/cm 3, both relatively to the mineral core. The specific surface area is ˜650 m 2/g. Six-line Fh (5-6 nm) has a molar mass of M ˜ 94 ± 2 g/mol, a mass density of ˜3.9 ± 0.1 g/cm 3, and a surface area of ˜280 ± 30 m 2/g. Data analysis shows that the mineral core of Fh has an average chemical composition very close to FeOOH with M ˜ 89 g/mol. The mineral core has a mass density around ˜4.15 ± 0.1 g/cm 3, which is between that of feroxyhyte, goethite, and lepidocrocite. These results can be used to constrain structural models for Fh. Singly-coordinated surface groups dominate the surface of ferrihydrite (˜6.0 ± 0.5 nm -2). These groups can be present in two structural configurations. In pairs, the groups either form the edge of a single Fe-octahedron (˜2.5 nm -2) or are present at a single corner (˜3.5 nm -2) of two adjacent Fe octahedra. These configurations can form bidentate surface complexes by edge- and double-corner sharing, respectively, and may therefore respond differently to the binding of ions such as uranyl, carbonate, arsenite, phosphate, and others. The relatively low PZC of

  7. Constraining self-interacting dark matter with scaling laws of observed halo surface densities

    Science.gov (United States)

    Bondarenko, Kyrylo; Boyarsky, Alexey; Bringmann, Torsten; Sokolenko, Anastasia

    2018-04-01

    The observed surface densities of dark matter halos are known to follow a simple scaling law, ranging from dwarf galaxies to galaxy clusters, with a weak dependence on their virial mass. Here we point out that this can not only be used to provide a method to determine the standard relation between halo mass and concentration, but also to use large samples of objects in order to place constraints on dark matter self-interactions that can be more robust than constraints derived from individual objects. We demonstrate our method by considering a sample of about 50 objects distributed across the whole halo mass range, and by modelling the effect of self-interactions in a way similar to what has been previously done in the literature. Using additional input from simulations then results in a constraint on the self-interaction cross section per unit dark matter mass of about σ/mχlesssim 0.3 cm2/g. We expect that these constraints can be significantly improved in the future, and made more robust, by i) an improved modelling of the effect of self-interactions, both theoretical and by comparison with simulations, ii) taking into account a larger sample of objects and iii) by reducing the currently still relatively large uncertainties that we conservatively assign to the surface densities of individual objects. The latter can be achieved in particular by using kinematic observations to directly constrain the average halo mass inside a given radius, rather than fitting the data to a pre-selected profile and then reconstruct the mass. For a velocity-independent cross-section, our current result is formally already somewhat smaller than the range 0.5‑5 cm2/g that has been invoked to explain potential inconsistencies between small-scale observations and expectations in the standard collisionless cold dark matter paradigm.

  8. Strong orientation dependence of surface mass density profiles of dark haloes at large scales

    Science.gov (United States)

    Osato, Ken; Nishimichi, Takahiro; Oguri, Masamune; Takada, Masahiro; Okumura, Teppei

    2018-06-01

    We study the dependence of surface mass density profiles, which can be directly measured by weak gravitational lensing, on the orientation of haloes with respect to the line-of-sight direction, using a suite of N-body simulations. We find that, when major axes of haloes are aligned with the line-of-sight direction, surface mass density profiles have higher amplitudes than those averaged over all halo orientations, over all scales from 0.1 to 100 Mpc h-1 we studied. While the orientation dependence at small scales is ascribed to the halo triaxiality, our results indicate even stronger orientation dependence in the so-called two-halo regime, up to 100 Mpc h-1. The orientation dependence for the two-halo term is well approximated by a multiplicative shift of the amplitude and therefore a shift in the halo bias parameter value. The halo bias from the two-halo term can be overestimated or underestimated by up to {˜ } 30 per cent depending on the viewing angle, which translates into the bias in estimated halo masses by up to a factor of 2 from halo bias measurements. The orientation dependence at large scales originates from the anisotropic halo-matter correlation function, which has an elliptical shape with the axis ratio of ˜0.55 up to 100 Mpc h-1. We discuss potential impacts of halo orientation bias on other observables such as optically selected cluster samples and a clustering analysis of large-scale structure tracers such as quasars.

  9. Kernel density surface modelling as a means to identify significant concentrations of vulnerable marine ecosystem indicators.

    Directory of Open Access Journals (Sweden)

    Ellen Kenchington

    Full Text Available The United Nations General Assembly Resolution 61/105, concerning sustainable fisheries in the marine ecosystem, calls for the protection of vulnerable marine ecosystems (VME from destructive fishing practices. Subsequently, the Food and Agriculture Organization (FAO produced guidelines for identification of VME indicator species/taxa to assist in the implementation of the resolution, but recommended the development of case-specific operational definitions for their application. We applied kernel density estimation (KDE to research vessel trawl survey data from inside the fishing footprint of the Northwest Atlantic Fisheries Organization (NAFO Regulatory Area in the high seas of the northwest Atlantic to create biomass density surfaces for four VME indicator taxa: large-sized sponges, sea pens, small and large gorgonian corals. These VME indicator taxa were identified previously by NAFO using the fragility, life history characteristics and structural complexity criteria presented by FAO, along with an evaluation of their recovery trajectories. KDE, a non-parametric neighbour-based smoothing function, has been used previously in ecology to identify hotspots, that is, areas of relatively high biomass/abundance. We present a novel approach of examining relative changes in area under polygons created from encircling successive biomass categories on the KDE surface to identify "significant concentrations" of biomass, which we equate to VMEs. This allows identification of the VMEs from the broader distribution of the species in the study area. We provide independent assessments of the VMEs so identified using underwater images, benthic sampling with other gear types (dredges, cores, and/or published species distribution models of probability of occurrence, as available. For each VME indicator taxon we provide a brief review of their ecological function which will be important in future assessments of significant adverse impact on these habitats here

  10. Dynamics of two-phase interfaces and surface tensions: A density-functional theory perspective

    Science.gov (United States)

    Yatsyshin, Petr; Sibley, David N.; Duran-Olivencia, Miguel A.; Kalliadasis, Serafim

    2016-11-01

    Classical density functional theory (DFT) is a statistical mechanical framework for the description of fluids at the nanoscale, where the inhomogeneity of the fluid structure needs to be carefully accounted for. By expressing the grand free-energy of the fluid as a functional of the one-body density, DFT offers a theoretically consistent and computationally accessible way to obtain two-phase interfaces and respective interfacial tensions in a ternary solid-liquid-gas system. The dynamic version of DFT (DDFT) can be rigorously derived from the Smoluchowsky picture of the dynamics of colloidal particles in a solvent. It is generally agreed that DDFT can capture the diffusion-driven evolution of many soft-matter systems. In this context, we use DDFT to investigate the dynamic behaviour of two-phase interfaces in both equilibrium and dynamic wetting and discuss the possibility of defining a time-dependent surface tension, which still remains in debate. We acknowledge financial support from the European Research Council via Advanced Grant No. 247031 and from the Engineering and Physical Sciences Research Council of the UK via Grants No. EP/L027186 and EP/L020564.

  11. Molecular dynamics simulation of cross-slip and the intersection of dislocations in copper

    CERN Document Server

    Li, Maozhen; Gao, K W; Qiao, L J

    2003-01-01

    The molecular dynamics method is used to simulate cross-slip by thermal activation at 30 K and the intersection of dislocations in copper containing 1.6 x 10 sup 6 atoms using the embedded atom method potential. The results show that an extended screw dislocation can recombine through thermal activation at 30 K into a constriction on the surface because of stress imbalance and the constriction will split again in the other slip plane. Removing the constriction along the extended dislocation results in a cross-slip of the screw dislocation at low temperature. After the intersection between a moving right-hand screw dislocation DC and a perpendicular left-hand dislocation BA, whose ends are fixed on the surfaces, an extended jog corresponding to a row of one-third vacancies forms in BA and a trail of vacancies behind DC. If the intersected dislocation is a right-hand screw dislocation AB, the jog formed in AB corresponds to a row of one-third interstitials and the point defects behind DC are interstitials. Afte...

  12. Displacement field for an edge dislocation in a layered half-space

    Science.gov (United States)

    Savage, J.C.

    1998-01-01

    The displacement field for an edge dislocation in an Earth model consisting of a layer welded to a half-space of different material is found in the form of a Fourier integral following the method given by Weeks et al. [1968]. There are four elementary solutions to be considered: the dislocation is either in the half-space or the layer and the Burgers vector is either parallel or perpendicular to the layer. A general two-dimensional solution for a dip-slip faulting or dike injection (arbitrary dip) can be constructed from a superposition of these elementary solutions. Surface deformations have been calculated for an edge dislocation located at the interface with Burgers vector inclined 0??, 30??, 60??, and 90?? to the interface for the case where the rigidity of the layer is half of that of the half-space and the Poisson ratios are the same. Those displacement fields have been compared to the displacement fields generated by similarly situated edge dislocations in a uniform half-space. The surface displacement field produced by the edge dislocation in the layered half-space is very similar to that produced by an edge dislocation at a different depth in a uniform half-space. In general, a low-modulus (high-modulus) layer causes the half-space equivalent dislocation to appear shallower (deeper) than the actual dislocation in the layered half-space.

  13. Medial peritalar fracture dislocation of the talar body

    Directory of Open Access Journals (Sweden)

    Jacob B. Stirton

    2015-04-01

    Full Text Available Peritalar fracture dislocations typically involve the talar neck and are classified according to Hawkins. To our knowledge, peritalar fracture dislocation involving the talar body has not been formally reported. In this article, we describe a case of peritalar fracture dislocation of the talar body. Keywords: Peritalar dislocation, Talus fracture, Talar body fracture dislocation, Medial subtalar dislocation

  14. Influence of current density on surface morphology and properties of pulse plated tin films from citrate electrolyte

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Ashutosh; Bhattacharya, Sumit; Das, Siddhartha; Das, Karabi, E-mail: karabi@metal.iitkgp.ernet.in

    2014-01-30

    Bulk polycrystalline tin films have been processed by pulse electrodeposition technique from a simple solution containing triammonium citrate and stannous chloride. The cathodic investigations have been carried out by galvanostatic methods. As deposited samples are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). XRD analysis of the deposited films shows microcrystalline grains having β-Sn form. The surface morphology is very rough at lower current density, but becomes smooth at higher current density, and exhibits pyramid type morphology at all the current densities. The effect of current density on microhardness, melting behavior, and electrical resistivity are also reported here.

  15. Stress field of a dislocating inclined fault

    Energy Technology Data Exchange (ETDEWEB)

    Huang, F.; Wang, T.

    1980-02-01

    Analytical expressions are derived for the stress field caused by a rectangular dislocating fault of an arbitrary dip in a semi-infinite elastic medium for the case of unequal Lame constants. The results of computations for the stress fields on the ground surface of an inclined strike-slip and an inclined dip-slip fault are represented by contour maps. The effects of Poisson Ratio of the medium, the dip angle, upper and lower boundaries of the faults on the stress field at surface have been discussed. As an application, the contour maps for shear stress and hydrostatic stress of near fields of the Tonghai (1970), Haicheng (1975) and Tangshan (1976) earthquakes have been calculated and compared with the spatial distributions of strong aftershocks of these earthquakes. It is found that most of the strong aftershocks are distributed in the regions of tensional stress, where the hydrostatic stress is positive.

  16. Stress field of a dislocating inclined fault

    Energy Technology Data Exchange (ETDEWEB)

    Huang, F.; Wang, T.

    1980-02-01

    In this paper, analytical expressions of the stress field given rise by a rectangular dislocating fault of an arbitrary dip in a semi-infinite elastic medium for the case of unequal Lame constants are derived. The results of computations for the stress fields on the ground surface of an inclined strike-slip and an inclined dip-slip fault are represented by contour maps. The effects of the Poisson Ratio of the medium, the dip angle, upper and lower boundaries of the faults on the stress field at the surface have been discussed. As an application, the contour maps for shear stress and hydrostatic stress of near fields of the Tonghai (1970), Haicheng, (1975) and Tangshan (1976) earthquakes have been calculated and compared with the spatial distributions of strong aftershocks of these earthquakes. It is found that most of the strong aftershocks are distributed in the regions of tensional stress where the hydrostatic stress is positive.

  17. Evolution effects of the copper surface morphology on the nucleation density and growth of graphene domains at different growth pressures

    Energy Technology Data Exchange (ETDEWEB)

    Hedayat, Seyed Mahdi [Transport Phenomena & Nanotechnology Lab., School of Chemical Engineering, College of Engineering, University of Tehran (Iran, Islamic Republic of); Karimi-Sabet, Javad, E-mail: j_karimi@alum.sharif.edu [NFCRS, Nuclear Science and Technology Research Institute, Tehran (Iran, Islamic Republic of); Shariaty-Niassar, Mojtaba, E-mail: mshariat@ut.ac.ir [Transport Phenomena & Nanotechnology Lab., School of Chemical Engineering, College of Engineering, University of Tehran (Iran, Islamic Republic of)

    2017-03-31

    Highlights: • Manipulation of the Cu surface morphology in a wide range by electropolishing treatment. • Comparison of the nucleation density of graphene at low pressure and atmospheric pressure CVD processes. • Controlling the evolution of the Cu surface morphology inside a novel confined space. • Growth of large-size graphene domains. - Abstract: In this work, we study the influence of the surface morphology of the catalytic copper substrate on the nucleation density and the growth rate of graphene domains at low and atmospheric pressure chemical vapor deposition (LPCVD and APCVD) processes. In order to obtain a wide range of initial surface morphology, precisely controlled electropolishing methods were developed to manipulate the roughntreess value of the as-received Cu substrate (RMS = 30 nm) to ultra-rough (RMS = 130 nm) and ultra-smooth (RMS = 2 nm) surfaces. The nucleation and growth of graphene domains show obviously different trends at LPCVD and APCVD conditions. In contrast to APCVD condition, the nucleation density of graphene domains is almost equal in substrates with different initial roughness values at LPCVD condition. We show that this is due to the evolution of the surface morphology of the Cu substrate during the graphene growth steps. By stopping the surface sublimation of copper substrate in a confined space saturated with Cu atoms, the evolution of the Cu surface was impeded. This results in the reduction of the nucleation density of graphene domains up to 24 times in the pre-smoothed Cu substrates at LPCVD condition.

  18. Evolution effects of the copper surface morphology on the nucleation density and growth of graphene domains at different growth pressures

    International Nuclear Information System (INIS)

    Hedayat, Seyed Mahdi; Karimi-Sabet, Javad; Shariaty-Niassar, Mojtaba

    2017-01-01

    Highlights: • Manipulation of the Cu surface morphology in a wide range by electropolishing treatment. • Comparison of the nucleation density of graphene at low pressure and atmospheric pressure CVD processes. • Controlling the evolution of the Cu surface morphology inside a novel confined space. • Growth of large-size graphene domains. - Abstract: In this work, we study the influence of the surface morphology of the catalytic copper substrate on the nucleation density and the growth rate of graphene domains at low and atmospheric pressure chemical vapor deposition (LPCVD and APCVD) processes. In order to obtain a wide range of initial surface morphology, precisely controlled electropolishing methods were developed to manipulate the roughntreess value of the as-received Cu substrate (RMS = 30 nm) to ultra-rough (RMS = 130 nm) and ultra-smooth (RMS = 2 nm) surfaces. The nucleation and growth of graphene domains show obviously different trends at LPCVD and APCVD conditions. In contrast to APCVD condition, the nucleation density of graphene domains is almost equal in substrates with different initial roughness values at LPCVD condition. We show that this is due to the evolution of the surface morphology of the Cu substrate during the graphene growth steps. By stopping the surface sublimation of copper substrate in a confined space saturated with Cu atoms, the evolution of the Cu surface was impeded. This results in the reduction of the nucleation density of graphene domains up to 24 times in the pre-smoothed Cu substrates at LPCVD condition.

  19. Luminescence and deep-level transient spectroscopy of grown dislocation-rich Si layers

    Directory of Open Access Journals (Sweden)

    I. I. Kurkina

    2012-09-01

    Full Text Available The charge deep-level transient spectroscopy (Q-DLTS is applied to the study of the dislocation-rich Si layers grown on a surface composed of dense arrays of Ge islands prepared on the oxidized Si surface. This provides revealing three deep-level bands located at EV + 0.31 eV, EC – 0.35 eV and EC – 0.43 eV using the stripe-shaped p-i-n diodes fabricated on the basis of these layers. The most interesting observation is the local state recharging process which proceeds with low activation energy (∼50 meV or without activation. The recharging may occur by carrier tunneling within deep-level bands owing to the high dislocation density ∼ 1011 - 1012 cm-2. This result is in favor of the suggestion on the presence of carrier transport between the deep states, which was previously derived from the excitation dependence of photoluminescence (PL intensity. Electroluminescence (EL spectra measured from the stripe edge of the same diodes contain two peaks centered near 1.32 and 1.55 μm. Comparison with PL spectra indicates that the EL peaks are generated from arsenic-contaminated and pure areas of the layers, respectively.

  20. Atomistic simulations of dislocation processes in copper

    DEFF Research Database (Denmark)

    Vegge, T.; Jacobsen, K.W.

    2002-01-01

    We discuss atomistic simulations of dislocation processes in copper based on effective medium theory interatomic potentials. Results on screw dislocation structures and processes are reviewed with particular focus on point defect mobilities and processes involving cross slip. For example......, the stability of screw dislocation dipoles is discussed. We show that the presence of jogs will strongly influence cross slip barriers and dipole stability. We furthermore present some new results on jogged edge dislocations and edge dislocation dipoles. The jogs are found to be extended, and simulations...

  1. An experimental study of dislocation loop nucleation

    International Nuclear Information System (INIS)

    Bounaud, J.Y.; Leteurtre, J.

    1975-01-01

    The nucleation of dislocation loops is experimentally studied by observing the demixion of the Burgers vectors of dislocation loops nucleated in copper whiskers irradiated in flexion by fission fragments at room temperature. The demixion of Burgers vectors is observed by the dimensional effects of dislocation loops: after irradiation, the applied stress is removed; the whisker shows a residual strain that is due to loops because, after an annealing treatment to evaporate dislocation loops, each whisker recovers its initial straight shape. Everywhere along the whisker, the radius of curvature is measured and plotted vs the max. applied stress. Estimations of the interstitial and vacancy dislocation loop nuclei are derived [fr

  2. Radial distributions of surface mass density and mass-to-luminosity ratio in spiral galaxies

    Science.gov (United States)

    Sofue, Yoshiaki

    2018-03-01

    We present radial profiles of the surface mass density (SMD) in spiral galaxies directly calculated using rotation curves of two approximations of flat-disk (SMD-F) and spherical mass distribution (SMD-S). The SMDs are combined with surface brightness using photometric data to derive radial variations of the mass-to-luminosity ratio (ML). It is found that the ML generally has a central peak or a plateau, and decreases to a local minimum at R ˜ 0.1-0.2 h, where R is the radius and h is the scale radius of optical disk. The ML, then, increases rapidly until ˜0.5 h, and is followed by gradual rise till ˜2 h, remaining at around ˜2 [M_{⊙} L^{-1}_{⊙}] in the w1 band (infrared λ3.4 μm) and ˜ 10 [M_⊙ L_⊙ ^{-1}] in the r band (λ6200-7500 Å). Beyond this radius, the ML increases steeply with approaching the observed edges at R ˜ 5 h, attaining to as high values as ˜20 in w1 and ˜ 10^2 [M_⊙ L_⊙ ^{-1}] in the r band, which are indicative of dominant dark matter. The general properties of the ML distributions will be useful for constraining cosmological formation models of spiral galaxies.

  3. Density functional theory study for the enhanced sulfur tolerance of Ni catalysts by surface alloying

    Science.gov (United States)

    Hwang, Bohyun; Kwon, Hyunguk; Ko, Jeonghyun; Kim, Byung-Kook; Han, Jeong Woo

    2018-01-01

    Sulfur compounds in fuels deactivate the surface of anode materials in solid oxide fuel cells (SOFCs), which adversely affect the long-term durability. To solve this issue, it is important to design new SOFC anode materials with high sulfur tolerance. Unfortunately, it is difficult to completely replace the traditional Ni anode owing to its outstanding reactivity with low cost. As an alternative, alloying Ni with transition metals is a practical strategy to enhance the sulfur resistance while taking advantage of Ni metal. Therefore, in this study, we examined the effects of transition metal (Cu, Rh, Pd, Ag, Pt, and Au) doping into a Ni catalyst on not only the adsorption of H2S, HS, S, and H but also H2S decomposition using density functional theory (DFT) calculations. The dopant metals were selected rationally by considering the stability of the Ni-based binary alloys. The interactions between sulfur atoms produced by H2S dissociation and the surface are weakened by the dopant metals at the topmost layer. In addition, the findings show that H2S dissociation can be suppressed by doping transition metals. It turns out that these effects are maximized in the Au-doped Ni catalyst. Our DFT results will provide useful insights into the design of sulfur-tolerant SOFC anode materials.

  4. Predicting Ligand Binding Sites on Protein Surfaces by 3-Dimensional Probability Density Distributions of Interacting Atoms

    Science.gov (United States)

    Jian, Jhih-Wei; Elumalai, Pavadai; Pitti, Thejkiran; Wu, Chih Yuan; Tsai, Keng-Chang; Chang, Jeng-Yih; Peng, Hung-Pin; Yang, An-Suei

    2016-01-01

    Predicting ligand binding sites (LBSs) on protein structures, which are obtained either from experimental or computational methods, is a useful first step in functional annotation or structure-based drug design for the protein structures. In this work, the structure-based machine learning algorithm ISMBLab-LIG was developed to predict LBSs on protein surfaces with input attributes derived from the three-dimensional probability density maps of interacting atoms, which were reconstructed on the query protein surfaces and were relatively insensitive to local conformational variations of the tentative ligand binding sites. The prediction accuracy of the ISMBLab-LIG predictors is comparable to that of the best LBS predictors benchmarked on several well-established testing datasets. More importantly, the ISMBLab-LIG algorithm has substantial tolerance to the prediction uncertainties of computationally derived protein structure models. As such, the method is particularly useful for predicting LBSs not only on experimental protein structures without known LBS templates in the database but also on computationally predicted model protein structures with structural uncertainties in the tentative ligand binding sites. PMID:27513851

  5. Surface heat flow density at the Phlegrean Fields caldera (southern Italy)

    Energy Technology Data Exchange (ETDEWEB)

    Corrado, Gennardo [Naples Univ., Dept. of Geophysics and Volcanology, Naples (Italy); De Lorenzo, Salvatore; Mongelli, Francesco; Tramacere, Antonio; Zito, Gianmaria [Bari Univ., Dept. of Geology and Geophysics, Bari (Italy)

    1998-08-01

    The Phlegrean Fields areas is a Holocene caldera located west of Naples, southern Italy. The recent post caldera activity is characterised by several eruptive centers inside the collapsed areas. In order to investigate the still active volcanic processes, surface heat flow measurement were carried out in 1995 in 30 sites of the Phlegrean Fields and a heat flow map compiled. Filtering of the map reveals some well-defined anomalies superimposed on a general southward-increasing trend. Local anomalies are related to small magma bodies, whereas the observed general trend has been attributed to the effect of ground-water flow. This effect was calculated and removed. The undisturbed mean value of the surface heat flow density in the eastern sector is 149mW/m{sup 2}, which is above the regional value of 85mW/m{sup 2} assigned to the eastern part of the Tyrrhenian Sea, and which is probably influenced by a very large, deep magmatic body. (Author)

  6. Magnetic fields produced by rotating symmetrical bodies with homogeneous surface charge density

    International Nuclear Information System (INIS)

    Espejel-Morales, R; Murguía-Romero, G; Calles, A; Cabrera-Bravo, E; Morán-López, J L

    2016-01-01

    We present a numerical calculation for the stationary magnetic field produced by different rotating bodies with homogeneous and constant surface charge density. The calculation is done by superposing the magnetic field produced by a set of loops of current which mimic the magnetic field produced by belts of current defined by slices of fixed width. We consider the cases of a sphere, ellipsoids, open and closed cylinders and a combination of these in a dumbbell -like shell. We also plot their magnetic field lines using a technique that make use of the Runge–Kutta fourth-order method. Up to our knowledge, the case of closed cylinders was not calculated before. In contrast to previous results, we find that the magnetic field inside finite hollow bodies is homogeneous only in the case of a sphere. This is consequence of the fact that, for the sphere, the surface of any slice taken perpendicularly to the rotation axis, depends only on its thickness, like in the case of an infinite cylinder. (paper)

  7. Uranium and thorium migration under dislocative metamorphism

    International Nuclear Information System (INIS)

    Titov, V.K.; Bilibina, T.V.; Dashkova, A.D.; Il'in, V.K.; Makarova, L.I.; Shmuraeva, L.Ya.

    1978-01-01

    Investigated were peculiarities of uranium and thorium behaviour in the process of dislocation metamorphism on the basis of regional fracture zones of early-proterozoic embedding of Ukrainian, Aldan and Baltic shields. The studied zones correspond to tectonite of green-shale and almandin-amphibolite facies of regional metamorphism according to mineral associations. The most peculiar feature of the tectonites of green-shale facies is uranium presence in migrationally able forms, which can be involved afterwards into the ore process by hydrothermal solutions. Adsorved forms of uranium on the crystal surface or separate grains and in the cracks, as well as microinclusions of uranium minerals, selectively timed to mineral structure defects prevail among easily mobile uranium compounds. Dissolved uranium is present, evidently in gas-liquid inclusions in minerals and pore waters. There forms of uranium presence are peculiar for epidote-chlorite mylonites, as well as cataclasites and diaphthorites related to them by blastomylonites of almandin-amphibolite facies. Wide range of manifestation of this process, caused by multikilometer extension of deep fracture zones permit to consider the formations of green-shale facies of dislocation metamorphism as one of the main uranium sources in deposit formation in different uranium-ore associations different age

  8. Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations

    Czech Academy of Sciences Publication Activity Database

    Srivastava, K.; Gröger, Roman; Weygand, D.; Gumbsch, P.

    2013-01-01

    Roč. 47, AUG (2013), s. 126-142 ISSN 0749-6419 R&D Projects: GA ČR GAP204/10/0255; GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68081723 Keywords : body -centered cubic * non-Schmid effects * anomalous slip * discrete dislocation dynamics Subject RIV: BM - Solid Matter Physics ; Magnetism; BM - Solid Matter Physics ; Magnetism (UFM-A) Impact factor: 5.971, year: 2013

  9. A study of the rates of heat transfer and bubble site density for nucleate boiling on an inclined heating surface

    International Nuclear Information System (INIS)

    Bonamy, S.E.; Symons, J.G.

    1974-08-01

    Nucleate pool boiling of distilled water from an electrically heated surface at atmospheric pressure is studied for varying heating surface inclinations. The constants of the accepted boiling equation phi = K Tsup(B) and the Rohsenow Correlation Coefficient are found to be dependent on surface orientation. Convection cooling is observed to play a major role in pool boiling phenomena and causes large changes in the heat transfer rates for a given excess of temperature of the heated surface. Active nucleation site density is studied and found to be independent of surface inclination. Empirical relations are presented to provide an understanding of the effects of inclination on other boiling parameters. (author)

  10. Concentration Dependences of the Surface Tension and Density of Solutions of Acetone-Ethanol-Water Systems at 293 K

    Science.gov (United States)

    Dadashev, R. Kh.; Dzhambulatov, R. S.; Mezhidov, V. Kh.; Elimkhanov, D. Z.

    2018-05-01

    Concentration dependences of the surface tension and density of solutions of three-component acetone-ethanol-water systems and the bounding binary systems at 273 K are studied. The molar volume, adsorption, and composition of surface layers are calculated. Experimental data and calculations show that three-component solutions are close to ideal ones. The surface tensions of these solutions are calculated using semi-empirical and theoretical equations. Theoretical equations qualitatively convey the concentration dependence of surface tension. A semi-empirical method based on the Köhler equation allows us to predict the concentration dependence of surface tension within the experimental error.

  11. Dislocation-limited electron transport in InSb grown on GaAs(0 0 1)

    Energy Technology Data Exchange (ETDEWEB)

    Sato, T. [Center for Nano Materials and Technology, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan)]. E-mail: taku-s@jaist.ac.jp; Suzuki, T. [Center for Nano Materials and Technology, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); Tomiya, S. [Materials Analysis Laboratory, Sony Corporation, 4-16-1 Okata, Atugi, Kanagawa 243-0021 (Japan); Yamada, S. [Center for Nano Materials and Technology, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan)

    2006-04-01

    We investigated dislocations and electrical properties in InSb thin films with various thickness grown on GaAs(0 0 1). It is found that both the threading dislocation density and the local donor concentration decrease in proportion to the inverse of the distance from the InSb/GaAs interface, which indicates that the former is the origin of the latter. This behavior is well explained by pair annihilation mechanism of the threading dislocations. The electron mobility is limited by ionized donor scattering, i.e. charged dislocation scattering.

  12. Surface density and volume density measurements of chloroplast thylakoids in maize ( Zea mays L.) under chilling conditions

    Czech Academy of Sciences Publication Activity Database

    Kubínová, Lucie; Kutík, J.

    2007-01-01

    Roč. 45, č. 4 (2007), s. 481-488 ISSN 0300-3604 R&D Projects: GA AV ČR(CZ) IAA100110502; GA MŠk(CZ) LC06063 Grant - others:GA ČR(CZ) GA522/01/0846 Institutional research plan: CEZ:AV0Z50110509 Keywords : stereology * surface area * thylakoid membranes Subject RIV: EA - Cell Biology Impact factor: 0.976, year: 2007

  13. Origin of the quasiparticle peak in the spectral density of Cr(001) surfaces

    Science.gov (United States)

    Peters, L.; Jacob, D.; Karolak, M.; Lichtenstein, A. I.; Katsnelson, M. I.

    2017-12-01

    In the spectral density of Cr(001) surfaces, a sharp resonance close to the Fermi level is observed in both experiment and theory. For the physical origin of this peak, two mechanisms were proposed: a single-particle dz2 surface state renormalized by electron-phonon coupling and an orbital Kondo effect due to the degenerate dx z/dy z states. Despite several experimental and theoretical investigations, the origin is still under debate. In this work, we address this problem by two different approaches of the dynamical mean-field theory: first, by the spin-polarized T -matrix fluctuation exchange approximation suitable for weakly and moderately correlated systems; second, by the noncrossing approximation derived in the limit of weak hybridization (i.e., for strongly correlated systems) capturing Kondo-type processes. By using recent continuous-time quantum Monte Carlo calculations as a benchmark, we find that the high-energy features, everything except the resonance, of the spectrum are captured within the spin-polarized T -matrix fluctuation exchange approximation. More precisely, the particle-particle processes provide the main contribution. For the noncrossing approximation, it appears that spin-polarized calculations suffer from spurious behavior at the Fermi level. Then, we turned to non-spin-polarized calculations to avoid this unphysical behavior. By employing two plausible starting hybridization functions, it is observed that the characteristics of the resonance are crucially dependent on the starting point. It appears that only one of these starting hybridizations could result in an orbital Kondo resonance in the presence of a strong magnetic field like in the Cr(001) surface. It is for a future investigation to first resolve the unphysical behavior within the spin-polarized noncrossing approximation and then check for an orbital Kondo resonance.

  14. Simulations of the atomic structure, energetics, and cross slip of screw dislocations in copper

    DEFF Research Database (Denmark)

    Rasmussen, Torben; Jacobsen, Karsten Wedel; Leffers, Torben

    1997-01-01

    Using nanoscale atomistic simulations it has been possible to address the problem of cross slip of a dissociated screw dislocation in an fee metal (Cu) by a method not suffering from the limitations imposed by elasticity theory. The focus has been on different dislocation configurations relevant...... linear-elasticity theory showing recombination or repulsion of the partials near the free surface. Such recombination at the free surface might be important in the context of cross slip because it allows the creation of the above-mentioned energetically favorable constriction alone. In addition we...... to monitor the annihilation process, thereby determining the detailed dislocation reactions during annihilation....

  15. Work Hardening, Dislocation Structure, and Load Partitioning in Lath Martensite Determined by In Situ Neutron Diffraction Line Profile Analysis

    Science.gov (United States)

    Harjo, Stefanus; Kawasaki, Takuro; Tomota, Yo; Gong, Wu; Aizawa, Kazuya; Tichy, Geza; Shi, Zengmin; Ungár, Tamas

    2017-09-01

    A lath martensite steel containing 0.22 mass pct carbon was analyzed in situ during tensile deformation by high-resolution time-of-flight neutron diffraction to clarify the large work-hardening behavior at the beginning of plastic deformation. The diffraction peaks in plastically deformed states exhibit asymmetries as the reflection of redistributions of the stress and dislocation densities/arrangements in two lath packets: soft packet, where the dislocation glides are favorable, and hard packet, where they are unfavorable. The dislocation density was as high as 1015 m-2 in the as-heat-treated state. During tensile straining, the load and dislocation density became different between the two lath packets. The dislocation character and arrangement varied in the hard packet but hardly changed in the soft packet. In the hard packet, dislocations that were mainly screw-type in the as-heat-treated state became primarily edge-type and rearranged towards a dipole character related to constructing cell walls. The hard packet played an important role in the work hardening in martensite, which could be understood by considering the increase in dislocation density along with the change in dislocation arrangement.

  16. The low thermal gradient CZ technique as a way of growing of dislocation-free germanium crystals

    Science.gov (United States)

    Moskovskih, V. A.; Kasimkin, P. V.; Shlegel, V. N.; Vasiliev, Y. V.; Gridchin, V. A.; Podkopaev, O. I.

    2014-09-01

    This paper considers the possibility of growth of dislocation-free germanium single crystals. This is achieved by reducing the temperature gradients at the level of 1 K/cm and lower. Single germanium crystals 45-48 mm in diameter with a dislocation density of 102 cm-2 were grown by a Low Thermal Gradient Czochralski technique (LTG CZ).

  17. Catalytic hydrolysis of COS over CeO_2 (110) surface: A density functional theory study

    International Nuclear Information System (INIS)

    Song, Xin; Ning, Ping; Wang, Chi; Li, Kai; Tang, Lihong; Sun, Xin

    2017-01-01

    Graphical abstract: CeO_2 decreases the maximum energy barrier by 76.15 kcal/mol. H_2O plays a role as a bridge in the process of joint adsorption. Catalytic effect of CeO_2 in the hydrolysis of COS is mainly reflected on the C−O channel. - Highlights: • H_2O is easier adsorbed on the CeO_2 (110) surface than COS. • When COS and H_2O jointly adsorb on the CeO_2 (110) surface, the H_2O molecule plays a role as a bridge. • Ce−O−H bond can enhance the adsorption effect. • Catalytic effect of CeO_2 in the hydrolysis of COS is mainly reflected on the C−O channel. - Abstract: Density functional theory (DFT) calculations were performed to investigate the reaction pathways for catalytic hydrolysis of COS over CeO_2 (110) surface using Dmol"3 model. The thermodynamic stability analysis for the suggested routes of COS hydrolysis to CO_2 and H_2S was evaluated. The absolute values of adsorption energy of H_2O-CeO_2 are higher than that of COS-CeO_2. Meanwhile, the adsorption energy and geometries show that H_2O is easier adsorbed on the surface of CeO_2 (110) than COS. H_2O plays a role as a bridge in the process of joint adsorption. H_2O forms more Ce−O−H groups on the CeO_2 (110) surface. CeO_2 decreases the maximum energy barrier by 76.15 kcal/mol. The migration of H from H_2O to COS is the key for the hydrolysis reaction. C−O channel is easier to occur than C−S channel. Experimental result shows that adding of CeO_2 can increase COS removal rate and prolong the 100% COS removal rate from 180 min to 210 min. The difference between Fe_2O_3 and CeO_2 for the hydrolysis of COS is characterized in the atomic charge transfer and the formation of H−O bond and H−S bond. The transfer effect of H in H_2O to S in COS over CeO_2 decreases the energy barriers of hydrolysis reaction, and enhances the reaction activity of COS hydrolysis.

  18. Energetics of dislocation nucleation under a nanoindenter

    International Nuclear Information System (INIS)

    Zhang Chuanli; Xu Guanshui

    2005-01-01

    We present an analysis of dislocation nucleation under an idealized nanoindenter based on the variational boundary integral formulation of the Peierls-Nabarro dislocation model. By solving the embryonic dislocation profiles, corresponding to the relative displacements between the two adjacent atomic layers along the slip plane, we have determined the critical conditions for athermal dislocation nucleation as well as the activation energies required to thermally activate embryonic dislocations from their stable to unstable saddle point configurations. The effect of the size of the indenter on the energetics of dislocation nucleation is quantitatively characterized. The result is compared with a simplified analysis based on the application of the Rice model for dislocation nucleation at a crack tip

  19. Theory of interacting dislocations on cylinders.

    Science.gov (United States)

    Amir, Ariel; Paulose, Jayson; Nelson, David R

    2013-04-01

    We study the mechanics and statistical physics of dislocations interacting on cylinders, motivated by the elongation of rod-shaped bacterial cell walls and cylindrical assemblies of colloidal particles subject to external stresses. The interaction energy and forces between dislocations are solved analytically, and analyzed asymptotically. The results of continuum elastic theory agree well with numerical simulations on finite lattices even for relatively small systems. Isolated dislocations on a cylinder act like grain boundaries. With colloidal crystals in mind, we show that saddle points are created by a Peach-Koehler force on the dislocations in the circumferential direction, causing dislocation pairs to unbind. The thermal nucleation rate of dislocation unbinding is calculated, for an arbitrary mobility tensor and external stress, including the case of a twist-induced Peach-Koehler force along the cylinder axis. Surprisingly rich phenomena arise for dislocations on cylinders, despite their vanishing Gaussian curvature.

  20. Energetics of dislocation nucleation under a nanoindenter

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Chuanli [College of Mechanical Engineering, Yangtze University, Jingzhou, Hubei 434023 (China); Department of Mechanical Engineering, University of California, Riverside, CA 92521 (United States); Xu Guanshui [Department of Mechanical Engineering, University of California, Riverside, CA 92521 (United States)]. E-mail: guanshui.xu@ucr.edu

    2005-07-25

    We present an analysis of dislocation nucleation under an idealized nanoindenter based on the variational boundary integral formulation of the Peierls-Nabarro dislocation model. By solving the embryonic dislocation profiles, corresponding to the relative displacements between the two adjacent atomic layers along the slip plane, we have determined the critical conditions for athermal dislocation nucleation as well as the activation energies required to thermally activate embryonic dislocations from their stable to unstable saddle point configurations. The effect of the size of the indenter on the energetics of dislocation nucleation is quantitatively characterized. The result is compared with a simplified analysis based on the application of the Rice model for dislocation nucleation at a crack tip.

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

    Science.gov (United States)

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

    2017-11-01

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

  2. Investigation of dislocations in 8° off-axis 4H-SiC epilayer

    International Nuclear Information System (INIS)

    Rui-Xia, Miao; Yu-Ming, Zhang; Yi-Men, Zhang; Xiao-Yan, Tang; Qing-Feng, Gai

    2010-01-01

    This paper reports that the etching morphology of dislocations in 8° off-axis 4H-SiC epilayer is observed by using a scanning electronic microscope. It is found that different types of dislocations correspond with different densities and basal plane dislcation (BPD) array and threading edge dislocation (TED) pileup group lie along some certain crystal directions in the epilayer. It is concluded that the elastic energy of threading screw dislocations (TSDs) is highest and TEDs is lowest among these dislocations, so the density of TSDs is lower than TEDs. The BPDs can convert to TEDs but TSDs can only propagate into the epilyer in spite of the higher elastic energy than TEDs. The reason of the form of BPDs array in epilayer is that the big step along the basal plane caused by face defects blocked the upstream atoms, and TEDs pileup group is that the dislocations slide is blocked by dislocation groups in epilayer. (condensed matter: structure, thermal and mechanical properties)

  3. The peculiar effect of forest dislocations on single twin layer development in zinc and beryllium single crystals

    International Nuclear Information System (INIS)

    Lavrentev, F.F.; Bosin, M.E.

    1978-01-01

    This is an investigation of the effect of different types of forest dislocation on the rate of twin layer broadening, Vsub(n), in zinc and beryllium crystals, and on the velocity of the twinning dislocation movement, Vsub(t), in zinc crystals under the action of a constant external shear stress. Increasing the forest basal dislocation density, rhosub(b), was found to result in increasing Vsub(n) and reducing Vsub(t), while increasing the forest pyramidal dislocation density, rhosub(p), causes Vsub(n) to decrease. An analysis in terms of crystal geometry shows that the dualism of the influence of the basal dislocations stems from the fact that they behave as twinning dislocation sources whose density, increasing with rhosub(b) leads to higher Vsub(n). The decrease in the effective stress, tausup(*), with increasing rhosub(b) is estimated. An analysis of the experimental data yielded the relation Vsub(t)(tausup(*)) and an estimate of the activation volume, which amounted to 6 x 10 -21 cm 3 . The close coincidence of the activation volumes as obtained from Vsub(t)(tausup(*)) and Vsub(n)(tau) suggests that the rate-controlling mechanism of the twin layer development in zinc crystals with large forest basal dislocation density is the twinning dislocation inhibition. In Be crystals, the increasing Vsub(n) effect is observed during untwinning. In Be twinned crystals, electron microscopy revealed twinning dislocations with a density of about 10 5 cm -1 at the twin boundaries and a large forest basal dislocation density inside the twin (ca. 10 8 cm -2 ). (Auth.)

  4. Dislocation-like Structures in a Simulated Liquid

    DEFF Research Database (Denmark)

    Cotterill, Rodney M J

    1979-01-01

    The free-volume distribution in a simulated Lennard-Jones liquid is heterogeneous. Chains of holes, appearing as segments rather than a continuous network, have lifetimes that are brief compared with the mean vibration period of the atoms. Larger isolated holes persist for longer times. If the ch......The free-volume distribution in a simulated Lennard-Jones liquid is heterogeneous. Chains of holes, appearing as segments rather than a continuous network, have lifetimes that are brief compared with the mean vibration period of the atoms. Larger isolated holes persist for longer times....... If the chains are interpreted as dislocation cores, the observed dislocation density is 1.0×1014 cm-2, but the actual density is probably higher....

  5. Cyclic softening in annealed Zircaloy-2: Role of edge dislocation dipoles and vacancies

    Science.gov (United States)

    Sudhakar Rao, G.; Singh, S. R.; Krsjak, Vladimir; Singh, Vakil

    2018-04-01

    The mechanism of cyclic softening in annealed Zircaloy-2 at low strain amplitudes under strain controlled fatigue at room temperature is rationalized. The unusual softening due to continuous decrease in the phenomenological friction stress is found to be associated with decrease in the resistance against movement of dislocations because of the formation and easy glide of pure edge dislocation dipoles and consequent decrease in friction stress from reduction in the shear modulus. Positron annihilation spectroscopy data strongly support the increase in edge dislocation density containing jogs, from increased positron trapping and increase in annihilation lifetime.

  6. Inhomogeneous dislocation structure in fatigued INCONEL 713 LC superalloy at room and elevated temperatures

    International Nuclear Information System (INIS)

    Petrenec, Martin; Obrtlik, Karel; Polak, Jaroslav

    2005-01-01

    The dislocations arrangement was studied using transmission electron microscopy in specimens of polycrystalline INCONEL 713 LC superalloy cyclically strained up to failure with constant total strain amplitudes at temperatures 300, 773, 973 and 1073 K. Planar dislocation arrangements in the form of bands parallel to the {1 1 1} planes were observed in specimens cycled at all the temperatures. The bands showed up as thin slabs of high dislocation density cutting both the γ channels and γ' precipitates. Ladder-like bands were observed at room temperature

  7. Surface modification of TC4 titanium alloy by high current pulsed electron beam (HCPEB) with different pulsed energy densities

    International Nuclear Information System (INIS)

    Gao, Yu-kui

    2013-01-01

    Highlights: •The hardness changes were determined by nanoindention method. •The surface integrity changes were investigated by different techniques. •The mechanism was analyzed based on AFM and TEM investigations. -- Abstract: Surface changes including surface topography and nanohardness distribution along surface layer were investigated for TC4 titanium alloy by different energy densities of high current pulsed electron beam (HCPEB). The surface topography was characterized by SEM and AFM, and cross-sectional TEM observation was performed to reveal the surface modification mechanism of TC4 titanium alloy by HCPEB. The surface roughness was modified by HCPEB and the polishing mechanism was analyzed by studying the cross section microstructure of electron beam treated specimens by SEM. The fine grain structure inherited from the rapid solidification of the melted layer as well as the strain hardening of the sub-surface are two of the factors responsible the increase in nanohardness

  8. Arthroscopic treatment of acromioclavicular dislocation

    Directory of Open Access Journals (Sweden)

    Mihai T. Gavrilă

    2017-11-01

    Full Text Available A thorough understanding of biomechanical function of both acromioclavicular (AC and coracoclavicular (CC ligaments, stimulated surgeons to repair high-grade AC dislocation using arthroscopic technique. This technique necessitates a clear understanding of shoulder anatomy, especially of the structures in proximity to the clavicle and coracoid process and experiences in arthroscopic surgery. The follow case describes an arthroscopic technique used to treat AC dislocation in young man 30 years old, who suffered an injury at right shoulder. Results were similar to those obtained using open surgery and this encouraged us to continue utilization of this method. As a conclusion, arthroscopic treatment of AC separation is one of the best options as surgical treatment. Early results suggested that immediate anatomic reduction of an acute AC separation usually provides satisfactory clinical results at intermediate-term follow-up.

  9. Density functional study of NO adsorption on undefected and oxygen defective Au–BaO(1 0 0) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Añez, Rafael, E-mail: ranez@ivic.gob.ve [Laboratorio de Química Física y Catálisis Computacional, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado, 21827 Caracas (Venezuela, Bolivarian Republic of); Sierraalta, Aníbal; Bastardo, Anelisse [Laboratorio de Química Física y Catálisis Computacional, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado, 21827 Caracas (Venezuela, Bolivarian Republic of); Coll, David [Laboratorio de Físico Química Teórica de Materiales, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado, 21827 Caracas (Venezuela, Bolivarian Republic of); Garcia, Belkis [Instituto Universitario de Tecnología de Valencia IUTVAL, Valencia, Edo. Carabobo (Venezuela, Bolivarian Republic of)

    2014-07-01

    A periodic density functional approach has been used in order to explore the interaction of NO with undoped and Au doped BaO(1 0 0) surface. Due to oxygen vacancies increase the interaction between the doping metal and the surface, F{sub S} and F{sub S}{sup +} vacancies were studied and compared with the results obtained on the undefected doped BaO(1 0 0). Our results indicate that the high basicity of the BaO surface, besides the electron density changes produced by the oxygen vacancies, modify considerably how the Au atom interacts with the surface increasing the ionic character of the interaction. F{sub S} vacancy shows to be a promise center to activate de NO bond on the BaO(1 0 0) surface.

  10. Analysis of the dislocation content in a deformed Co-based superalloy by transmission electron microscopy and X-ray diffraction

    International Nuclear Information System (INIS)

    Breuer, D.; Klimanek, P.; Muehle, U.; Martin, U.

    1997-01-01

    The present paper compares the dislocation densities as determined in a Co-based superalloy (CoNi22Cr22W14) after creep and tensile deformation by Transmission Electron Microscopy (TEM) and X-ray profile analysis (XRD). After creep tests the dislocation densities obtained by both methods are in good agreement, which is the result of a nearly homogeneous dislocation distribution. The relationship between the dislocation density and the flow stress meets the Taylor equation. After tensile deformation the dislocation densities determined by TEM and XRD differ systematically from each other, but in both cases also a Taylor relationship can be obtained. The constant α of the dislocation interaction derived by TEM is much larger than in the creep tests and also than that of the XRD, which agrees well with the creep data. The difference between the TEM and the XRD results is the consequence of the dislocation cell structure much more developed in the tensile specimens, which leads to an underestimation of the dislocation density in TEM because of overweighting the cell interior. By fitting the Fourier coefficients of the X-ray diffraction line shapes with a bimodal distribution of the defect content (composite model), dislocation densities of the cell interior can be estimated that correspond well to the TEM data. (orig.)

  11. Dislocation and void segregation in copper during neutron irradiation

    DEFF Research Database (Denmark)

    Singh, Bachu Narain; Leffers, Torben; Horsewell, Andy

    1986-01-01

    ); the irradiation experiments were carried out at 250 degree C. The irradiated specimens were examined by transmission electron microscopy. At both doses, the irradiation-induced structure was found to be highly segregated; the dislocation loops and segments were present in the form of irregular walls and the voids...... density, the void swelling rate was very high (approximately 2. 5% per dpa). The implications of the segregated distribution of sinks for void formation and growth are briefly discussed....

  12. THE INITIAL MASS FUNCTION AND THE SURFACE DENSITY PROFILE OF NGC 6231

    Energy Technology Data Exchange (ETDEWEB)

    Sung, Hwankyung [Department of Astronomy and Space Science, Sejong University, 98, Kunja-dong, Kwangjin-gu, Seoul 143-747 (Korea, Republic of); Sana, Hugues [Astronomical Institute ' Anton Pannekeok' , Amsterdam University, Science Park 904, 1098-XH Amsterdam (Netherlands); Bessell, Michael S., E-mail: sungh@sejong.ac.kr, E-mail: H.Sana@uva.nl, E-mail: bessell@mso.anu.edu.au [Research School of Astronomy and Astrophysics, Australian National University, MSO, Cotter Road, Weston, ACT 2611 (Australia)

    2013-02-01

    We have performed new wide-field photometry of the young open cluster NGC 6231 to study the shape of the initial mass function (IMF) and mass segregation. We also investigated the reddening law toward NGC 6231 from optical to mid-infrared color excess ratios, and found that the total-to-selective extinction ratio is R{sub V} = 3.2, which is very close to the normal value. But many early-type stars in the cluster center show large color excess ratios. We derived the surface density profiles of four member groups, and found that they reach the surface density of field stars at about 10', regardless of stellar mass. The IMF of NGC 6231 is derived for the mass range 0.8-45 M{sub Sun }. The slope of the IMF of NGC 6231 ({Gamma} = -1.1 {+-} 0.1) is slightly shallower than the canonical value, but the difference is marginal. In addition, the mass function varies systematically, and is a strong function of radius-it is very shallow at the center, and very steep at the outer ring suggesting the cluster is mass segregated. We confirm the mass segregation for the massive stars (m {approx}> 8 M{sub Sun }) by a minimum spanning tree analysis. Using a Monte Carlo method, we estimate the total mass of NGC 6231 to be about 2.6 ({+-} 0.6) Multiplication-Sign 10{sup 3} M{sub Sun }. We constrain the age of NGC 6231 by comparison with evolutionary isochrones. The age of the low-mass stars ranges from 1 to 7 Myr with a slight peak at 3 Myr. However, the age of the high-mass stars depends on the adopted models and is 3.5 {+-} 0.5 Myr from the non-rotating or moderately rotating models of Brott et al. as well as the non-rotating models of Ekstroem et al. But the age is 4.0-7.0 Myr if the rotating models of Ekstroem et al. are adopted. This latter age is in excellent agreement with the timescale of ejection of the high-mass runaway star HD 153919 from NGC 6231, albeit the younger age cannot be entirely excluded.

  13. A coupled atomistics and discrete dislocation plasticity simulation of nanoindentation into single crystal thin films

    International Nuclear Information System (INIS)

    Miller, Ronald E.; Shilkrot, L.E.; Curtin, William A.

    2004-01-01

    The phenomenon of 2D nanoindentation of circular 'Brinell' indenter into a single crystal metal thin film bonded to a rigid substrate is investigated. The simulation method is the coupled atomistics and discrete dislocation (CADD) model recently developed by the authors. The CADD model couples a continuum region containing any number of discrete dislocations to an atomistic region, and permits accurate, automatic detection and passing of dislocations between the atomistic and continuum regions. The CADD model allows for a detailed study of nanoindentation to large penetration depths (up to 60 A here) using only a small region of atoms just underneath the indenter where dislocation nucleation, cross-slip, and annihilation occur. Indentation of a model hexagonal aluminum crystal shows: (i) the onset of homogeneous dislocation nucleation at points away from the points of maximum resolved shear stress; (ii) size-dependence of the material hardness, (iii) the role of dislocation dissociation on deformation; (iv) reverse plasticity, including nucleation of dislocations on unloading and annihilation; (v) permanent deformation, including surface uplift, after full unloading; (vi) the effects of film thickness on the load-displacement response; and (vii) the differences between displacement and force controlled loading. This application demonstrates the power of the CADD method in capturing both long-range dislocation plasticity and short-range atomistic phenomena. The use of CADD permits for a clear study of the physical and mechanical influence of both complex plastic flow and non-continuum atomistic-level processes on the macroscopic response of material under indentation loading

  14. Influence of temperature upon dislocation mobility and elastic limit of single crystal HgI2

    International Nuclear Information System (INIS)

    Milstein, F.; Farber, B.; Kim, K.; van den Berg, L.; Schnepple, W.

    1982-01-01

    The practical importance of studying mechanical properties and dislocation structure of HgI 2 is reviewed briefly. Specifically, the performance of single crystal HgI 2 radiation detectors is evidently sensitive to crystalline imperfections; the dislocation structure, in turn, can be altered during detector fabrication, depending upon the mechanical properties of the crystal and the stresses to which the crystal is subjected. The influence of temperature upon dislocation mobility and plasticity in vapor-grown crystals of mercuric iodide is examined. Dislocation mobiity is determined by measuring the lengths of the longest arms of dislocation etch pit rosettes on (001) surfaces following microhardness indentation and chemical etch. Measurements were made in the range from room temperature to the phase transition temperature of 127 0 C. Dislocation mobility was found to be an increasing function of temperature, with the effect accelerating as the phase transition is approached. Increasing temperature was also found to lower the critical resolved shear stress for plastic deformation on slip on (001) planes. In these contexts, the vapor-grown crystals are clearly softer at their elevated growth temperatures. The results are discussed in terms of a dislocation model involving soft and hard glide dislocations

  15. Structure and electronic properties of mixed (a + c) dislocation cores in GaN

    Energy Technology Data Exchange (ETDEWEB)

    Horton, M. K., E-mail: m.horton11@imperial.ac.uk [Department Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Rhode, S. L. [Department Materials Science and Metallurgy, University of Cambridge, Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Moram, M. A. [Department Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Department Materials Science and Metallurgy, University of Cambridge, Charles Babbage Road, Cambridge CB3 0FS (United Kingdom)

    2014-08-14

    Classical atomistic models and atomic-resolution scanning transmission electron microscopy studies of GaN films reveal that mixed (a + c)-type dislocations have multiple different core structures, including a dissociated structure consisting of a planar fault on one of the (12{sup ¯}10) planes terminated by two different partial dislocations. Density functional theory calculations show that all cores introduce localized states into the band gap, which affects device performance.

  16. Structure and electronic properties of mixed (a + c) dislocation cores in GaN

    International Nuclear Information System (INIS)

    Horton, M. K.; Rhode, S. L.; Moram, M. A.

    2014-01-01

    Classical atomistic models and atomic-resolution scanning transmission electron microscopy studies of GaN films reveal that mixed (a + c)-type dislocations have multiple different core structures, including a dissociated structure consisting of a planar fault on one of the (12 ¯ 10) planes terminated by two different partial dislocations. Density functional theory calculations show that all cores introduce localized states into the band gap, which affects device performance

  17. Effect of argon implantation on solid-state dewetting: control of size and surface density of silicon nanocrystals.

    Science.gov (United States)

    Almadori, Y; Borowik, Ł; Chevalier, N; Barbé, J-C

    2017-01-27

    Thermally induced solid-state dewetting of ultra-thin films on insulators is a process of prime interest, since it is capable of easily forming nanocrystals. If no particular treatment is performed to the film prior to the solid-state dewetting, it is already known that the size, the shape and the density of nanocrystals is governed by the initial film thickness. In this paper, we report a novel approach to control the size and the surface density of silicon nanocrystals based on an argon-implantation preliminary surface treatment. Using 7.5 nm thin layers of silicon, we show that increasing the implantation dose tends to form smaller silicon nanocrystals with diameter and height lower than 50 nm and 30 nm, respectively. Concomitantly, the surface density is increased by a factor greater than 20, going from 5 μm -2 to values over 100 μm -2 .

  18. Localization of endocardial ectopic activity by means of noninvasive endocardial surface current density reconstruction

    Energy Technology Data Exchange (ETDEWEB)

    Lai Dakun; Liu Chenguang; Eggen, Michael D; He Bin [Department of Biomedical Engineering, University of Minnesota, MN (United States); Iaizzo, Paul A, E-mail: binhe@umn.edu [Department of Surgery, University of Minnesota, MN (United States)

    2011-07-07

    Localization of the source of cardiac ectopic activity has direct clinical benefits for determining the location of the corresponding ectopic focus. In this study, a recently developed current-density (CD)-based localization approach was experimentally evaluated in noninvasively localizing the origin of the cardiac ectopic activity from body-surface potential maps (BSPMs) in a well-controlled experimental setting. The cardiac ectopic activities were induced in four well-controlled intact pigs by single-site pacing at various sites within the left ventricle (LV). In each pacing study, the origin of the induced ectopic activity was localized by reconstructing the CD distribution on the endocardial surface of the LV from the measured BSPMs and compared with the estimated single moving dipole (SMD) solution and precise pacing site (PS). Over the 60 analyzed beats corresponding to ten pacing sites (six for each), the mean and standard deviation of the distance between the locations of maximum CD value and the corresponding PSs were 16.9 mm and 4.6 mm, respectively. In comparison, the averaged distance between the SMD locations and the corresponding PSs was slightly larger (18.4 {+-} 3.4 mm). The obtained CD distribution of activated sources extending from the stimulus site also showed high consistency with the endocardial potential maps estimated by a minimally invasive endocardial mapping system. The present experimental results suggest that the CD method is able to locate the approximate site of the origin of a cardiac ectopic activity, and that the distribution of the CD can portray the propagation of early activation of an ectopic beat.

  19. Experimental study on magnetically insulated transmission line electrode surface evolution process under MA/cm current density

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, PengFei; Qiu, Aici [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an 710049 (China); State Key Laboratory of Intense Pulse Radiation of Simulation and Effect, Northwest Institute of Nuclear Technology, Xi' an 710024 (China); Hu, Yang; Yang, HaiLiang; Sun, Jiang; Wang, Liangping; Cong, Peitian [State Key Laboratory of Intense Pulse Radiation of Simulation and Effect, Northwest Institute of Nuclear Technology, Xi' an 710024 (China)

    2016-03-15

    The design of high-current density magnetically insulated transmission line (MITL) is a difficult problem of current large-scale Z-pinch device. In particular, a thorough understanding of the MITL electrode surface evolution process under high current density is lacking. On the “QiangGuang-I” accelerator, the load area possesses a low inductance short-circuit structure with a diameter of 2.85 mm at the cathode, and three reflux columns with a diameter of 3 mm and uniformly distributed circumference at the anode. The length of the high density MITL area is 20 mm. A laser interferometer is used to assess and analyze the state of the MITL cathode and anode gap, and their evolution process under high current density. Experimental results indicate that evident current loss is not observed in the current density area at pulse leading edge, and peak when the surface current density reaches MA/cm. Analysis on electrode surface working conditions indicates that when the current leading edge is at 71.5% of the peak, the total evaporation of MITL cathode structure can be realized by energy deposition caused by ohmic heating. The electrode state changes, and diffusion conditions are reflected in the laser interferometer image. The MITL cathode area mainly exists in metal vapor form. The metal vapor density in the cathode central region is higher than the upper limit of laser penetration density (∼4 × 10{sup 21}/cm{sup 3}), with an expansion velocity of ∼0.96 km/s. The metal vapor density in the electrode outer area may lead to evident distortion of fringes, and its expansion velocity is faster than that in the center area (1.53 km/s).

  20. Towards a quantification of stress corrosion mechanisms: numerical simulations of hydrogen-dislocations at the very crack tip; Vers une quantification des mecanismes de corrosion sous contrainte: simulations numeriques des interactions hydrogene-dislocations en pointe de fissure

    Energy Technology Data Exchange (ETDEWEB)

    Chateau, J.P

    1999-01-05

    We discuss the respective roles played by anodic dissolution and hydrogen in SCC mechanisms of f.c.c. materials, by studying the fracture of copper in nitrite for which we compare the results with that previously obtained in 316L steel in hot chloride. It is surprising to note that even the crystallographies at the scale of the micron are different, the macroscopic inclination of the fracture surfaces are the same. In the case of 316L steel, the formation of strong pile-ups in the presence of hydrogen leads to a zigzag fracture along alternated slip planes in the most general case. In the absence of hydrogen, as in copper, this mechanism effectively disappears. Furthermore, numerical simulations of crack shielding by dislocations emitted on one plane predict the macroscopic inclination. It shows that it is due to the mere dissolution which confines slip activity at the very crack tip in f.c.c. materials. In order to quantify the mechanism involved in 316L steel, we developed simulations which numerically solve the coupled diffusion and elasticity equations for hydrogen in the presence of a crack and shielding dislocations. They reproduce the mechanisms of hydrogen segregation on edge dislocations and of a localised softening effect by decreasing pair interactions. These mechanisms lead to i) a localisation of hydrogen embrittlement along the activated slip planes, ii) an increase of the dislocation density in pile-ups, and iii) a decrease of the cross slip probability. These three factors enhance micro-fracture at the head of a pile-up, which is responsible of thezigzag fracture. Introducing the free surface effects for hydrogen, we point out a new mechanism: the inhibition of dislocation sources at the crack tip, which is relevant with the brittle fracture surfaces observed in some cases in 316L steel. The quantification of these different mechanisms allows to give a relation between the local fracture possibility and the macroscopic parameters. A general law for

  1. Dislocation model of a subsurface crack

    International Nuclear Information System (INIS)

    Yang, F.; Li, J.C.

    1997-01-01

    A dislocation model of a subsurface crack parallel to the surface is presented. For tensile loading, the results agree with those of previous workers except that we studied the crack very close to the surface and found that K II (mode II stress intensity factor) approaches K I (mode I stress intensity factor) to within about 22% (K II =0.78K I ). (Note that K II is zero when the crack is far away from the surface). Using bending theory for such situations, it is found that both stress intensity factors are inversely proportional to the 3/2 power of the distance between the subsurface crack and the free surface. For shear loading, the crack faces overlap each other for the free traction condition. This indicates the failure of the model. However, there was no overlap for tensile loading even though the stresses in front of the crack oscillate somewhat when the crack is very close to the surface. copyright 1997 American Institute of Physics

  2. Surface charge density determines the efficiency of cationic gemini surfactant based lipofection.

    Science.gov (United States)

    Ryhänen, Samppa J; Säily, Matti J; Paukku, Tommi; Borocci, Stefano; Mancini, Giovanna; Holopainen, Juha M; Kinnunen, Paavo K J

    2003-01-01

    The efficiencies of the binary liposomes composed of 1,2-dimyristoyl-sn-glycero-3-phosphocholine and cationic gemini surfactant, (2S,3R)-2,3-dimethoxy-1,4-bis(N-hexadecyl-N,N-dimethylammonium)butane dibromide as transfection vectors, were measured using the enhanced green fluorescent protein coding plasmid and COS-1 cells. Strong correlation between the transfection efficiency and lipid stoichiometry was observed. Accordingly, liposomes with X(SR-1) > or = 0.50 conveyed the enhanced green fluorescent protein coding plasmid effectively into cells. The condensation of DNA by liposomes with X(SR-1) > 0.50 was indicated by static light scattering and ethidium bromide intercalation assay, whereas differential scanning calorimetry and fluorescence anisotropy of diphenylhexatriene revealed stoichiometry dependent reorganization in the headgroup region of the liposome bilayer, in alignment with our previous Langmuir-balance study. Surface charge density and the organization of positive charges appear to determine the mode of interaction of DNA with (2S,3R)-2,3-dimethoxy-1,4-bis(N-hexadecyl-N,N-dimethylammonium)butane dibromide/1,2-dimyristoyl-sn-glycero-3-phosphocholine liposomes, only resulting in DNA condensation when X(SR-1) > 0.50. Condensation of DNA in turn seems to be required for efficient transfection.

  3. Determination of surface charge density of α-alumina by acid-base titration

    Directory of Open Access Journals (Sweden)

    Justin W. Ntalikwa

    2007-04-01

    Full Text Available The surface charge density (σo of colloidal alpha alumina suspended in various 1:1 electrolytes was measured using acid-base titration. An autotitrator capable of dispensing accurately 25 plus or minus 0.1 μL of titrant was used. The pH and temperature in the titration cell were monitored using single junction electrodes and platinum resistance thermometers, respectively. A constant supply of nitrogen gas in the cell was used to maintain inert conditions. The whole set up was interfaced with a computer for easy data acquisition. It was observed that the material exhibits a point of zero charge (PZC, this occurred at pH of 7.8 plus or minus 0.1, 7.6 plus or minus 0.2, 8.5 plus or minus 0.1, 8.3 plus or minus 0.1 for NaCl, NaNO3, CsCl and CsNO3 systems, respectively. It was also observed that below PZC, σo increases with increase in electrolyte concentration (Co whereas above PZC, σo decreases with increase in Co. It was concluded that σo of this material is a function of pH and Co and that its polarity can be varied through zero by varying these parameters.

  4. Density wave induced star formation: The optical surface brightness of galaxies

    International Nuclear Information System (INIS)

    Bash, F.N.

    1979-01-01

    A model for the galactic orbits of molecular clouds has been devised. The molecular clouds are assumed to be launched from the two-armed spiral-shock wave, to orbit in the Galaxy like ballistic particles with gravitational perturbations due to the density-wave spiral-potential, and each cloud is assumed to produce a cluster of stars. Each cloud radiates detectable 12 C 16 O (J=0→1) spectral line radiation from birth for 40 million years. Stars are seen in the cloud about 25 million years after birth, and the star cluster is assumed to continue in ballistic orbit around the Galaxy.The model has been tested by comparing its predicted velocity-longitude diagram for CO against that observed for the Galaxy and by comparing the model's predicted distribution of light in the UBV photometric bands against observed surface photometry for Sb and SC galaxies. The interpolation of the initial velocities in the model was corrected, and the model was examined to see whether preshock or postshock initial velocities better fit the observations. The model gives very good general agreement and reproduces many of the features observed in the CO velocity-longitude diagram

  5. Impact of land cover and population density on land surface temperature: case study in Wuhan, China

    Science.gov (United States)

    Li, Lin; Tan, Yongbin; Ying, Shen; Yu, Zhonghai; Li, Zhen; Lan, Honghao

    2014-01-01

    With the rapid development of urbanization, the standard of living has improved, but changes to the city thermal environment have become more serious. Population urbanization is a driving force of residential expansion, which predominantly influences the land surface temperature (LST). We obtained the land covers and LST maps of Wuhan from Landsat-5 images in 2000, 2002, 2005, and 2009, and discussed the distribution of land use/cover change and LST variation, and we analyzed the correlation between population distribution and LST values in residential regions. The results indicated massive variation of land cover types, which was shown as a reduction in cultivatable land and the expansion of building regions. High-LST regions concentrated on the residential and industrial areas with low vegetation coverage. In the residential region, the population density (PD) had effects on the LST values. Although the area or variation of residential regions was close, lower PD was associated with lower mean LST or LST variation. Thus, decreasing the high-LST regions concentration by reducing the PD may alleviate the urban heat island effect on the residential area. Taken together, these results can provide supports for urban planning projects and studies on city ecological environments.

  6. Effects of Cu intercalation on the graphene/Ni(111) surface: density-functional calculations

    International Nuclear Information System (INIS)

    Kwon, Se Gab; Kang, Myung Ho

    2012-01-01

    The Cu-intercalated graphene/Ni(111) surface has been studied by using density-functional theory calculations. We find that (1) the intercalation-induced decoupling between graphene and the Ni(111) substrate begins sharply at a Cu coverage of about 0.75 ML, (2) at the optimal Cu coverage of 1 ML, graphene recovers an almost ideal Dirac-cone band structure with no band gap, and (3) the Dirac point is located at 0.17 eV below the Fermi level, indicating a small charge transfer from the substrate. Cu thus plays essentially the same role as Au in realizing quasi-free-standing graphene by intercalation. Our charge character analysis shows that the Dirac-cone bands near the Fermi level reveal a weakening of their π character when crossing the Ni d bands, suggesting that the resulting low Dirac-cone intensity could possibly be the origin of the recent photoemission report of a relatively large band gap of 0.18 eV.

  7. Adsorption and activation of methane and methanol on Pt(100) surface: a density functional study

    International Nuclear Information System (INIS)

    Moussounda, P.S.

    2006-11-01

    The activation of methane (CH 4 ) and methanol (CH 3 OH) on Pt(100) surface has been investigated using density functional theory calculations based on plane-wave basis and pseudo-potential. We optimised CH 4 /Pt(100) system. The calculated adsorption energies over the top, bridge and hollow sites are small, weakly dependent on the molecular orientation. The nature of the CH 4 -Pt interaction was examined through the electronic structure changes. The adsorption of methyl (CH 3 ) and hydrogen (H) and the co-adsorption of CH 3 +H were also calculated. From these results, we examined the dissociation of CH 4 to CH 3 +H, and the activation energies found are in good agreement with the experimental and theoretical values. The activation of CH 3 OH/Pt(100) has been studied. All the sites have almost the same adsorption energy. The adsorption of oxygen (O) and the co-adsorption of CH 4 and O were also examined. In addition, the formation of CH 3 OH assuming a one-step mechanism step via the co-adsorption of CH 4 +O has been studied and the barrier height was found to be high. (authors)

  8. Normalised Mutual Information of High-Density Surface Electromyography during Muscle Fatigue

    Directory of Open Access Journals (Sweden)

    Adrian Bingham

    2017-12-01

    Full Text Available This study has developed a technique for identifying the presence of muscle fatigue based on the spatial changes of the normalised mutual information (NMI between multiple high density surface electromyography (HD-sEMG channels. Muscle fatigue in the tibialis anterior (TA during isometric contractions at 40% and 80% maximum voluntary contraction levels was investigated in ten healthy participants (Age range: 21 to 35 years; Mean age = 26 years; Male = 4, Female = 6. HD-sEMG was used to record 64 channels of sEMG using a 16 by 4 electrode array placed over the TA. The NMI of each electrode with every other electrode was calculated to form an NMI distribution for each electrode. The total NMI for each electrode (the summation of the electrode’s NMI distribution highlighted regions of high dependence in the electrode array and was observed to increase as the muscle fatigued. To summarise this increase, a function, M(k, was defined and was found to be significantly affected by fatigue and not by contraction force. The technique discussed in this study has overcome issues regarding electrode placement and was used to investigate how the dependences between sEMG signals within the same muscle change spatially during fatigue.

  9. Controlling the surface density of DNA on gold by electrically induced desorption.

    Science.gov (United States)

    Arinaga, Kenji; Rant, Ulrich; Knezević, Jelena; Pringsheim, Erika; Tornow, Marc; Fujita, Shozo; Abstreiter, Gerhard; Yokoyama, Naoki

    2007-10-31

    We report on a method to control the packing density of sulfur-bound oligonucleotide layers on metal electrodes by electrical means. In a first step, a dense nucleic acid layer is deposited by self-assembly from solution; in a second step, defined fractions of DNA molecules are released from the surface by applying a series of negative voltage cycles. Systematic investigations of the influence of the applied electrode potentials and oligonucleotide length allow us to identify a sharp desorption onset at -0.65 V versus Ag/AgCl, which is independent of the DNA length. Moreover, our results clearly show the pronounced influence of competitive adsorbents in solution on the desorption behavior, which can prevent the re-adsorption of released DNA molecules, thereby enhancing the desorption efficiency. The method is fully bio-compatible and can be employed to improve the functionality of DNA layers. This is demonstrated in hybridization experiments revealing almost perfect yields for electrically "diluted" DNA layers. The proposed control method is extremely beneficial to the field of DNA-based sensors.

  10. Fluorescence properties of dansyl groups covalently bonded to the surface of oxidatively functionalized low-density polyethylene film

    Science.gov (United States)

    Holmes-Farley, S. R.; Whitesides, G. M.

    1985-12-01

    Brief oxidation of low-density polyethylene film with chromic acid in aqueous sulfuric acid introduced carboxylic acid and ketone and/or aldehyde groups onto the surface of the film. The carboxylic acid moieties can be used to attach more complex functionality to the polymer surface. We are developing this surface-functionalized polyethylene (named polyethylene carboxylic acid, PE-CO2H, to emphasize the functional group that dominates its surface properties) as a substrate with which to study problems in organic surface chemistry--especially wetting, polymer surface reconstruction, and adhesion--using physical-organic techniques. This document describes the preparation, characterization, and fluorescence properties of derivatives of PE-CO2H in which the Dansyl (5-dimethylaminonaphthalene-1-sulfonyl) group has been covalently attached by amide links to the surface carbonyl moieties.

  11. Infrared spectroscopy and density functional theory investigation of calcite, chalk, and coccoliths-do we observe the mineral surface?

    DEFF Research Database (Denmark)

    Andersson, Martin Peter; Hem, Caroline Piper; Schultz, Logan Nicholas

    2014-01-01

    broadening from macroscopic dielectric effects. We detect water adsorbed on the high surface area synthetic calcite, which permits observation of the chemistry of thin liquid films on calcite using transmission infrared spectroscopy. The combination of infrared spectroscopy and density functional theory also...... asymmetric for the coccoliths and the synthetic calcite prepared using the carbonation method. It can be very well fitted by two peaks: a narrow Lorenzian at lower frequency and a broader Gaussian at higher frequency. These two samples both have a high specific surface area. Density functional theory...

  12. The use of surface power for characterisation of structure-borne sound sources of low modal density

    DEFF Research Database (Denmark)

    Ohlrich, Mogens

    1996-01-01

    The use of the surface power methods for source characterisaiton of vibrating machinery of low modal density is investigated in this paper. It was demonstrated by Ohlrich and Larsen that this relatively simple, but very useful measurement technique for quantifying the vibratory strength of machin......The use of the surface power methods for source characterisaiton of vibrating machinery of low modal density is investigated in this paper. It was demonstrated by Ohlrich and Larsen that this relatively simple, but very useful measurement technique for quantifying the vibratory strength...

  13. Static strain aging of Zircaloy-2: the effect of dislocation dynamics on yielding behaviour

    International Nuclear Information System (INIS)

    Thorpe, W.R.; Smith, I.O.

    1981-01-01

    The static strain-aging response of Zircaloy-2 was determined in the temperature range 293-723 K. A modified Hahn yielding model was found to provide a satisfactory description of the magnitude and shape of the yield points after aging, thereby providing information about the mobile dislocation density and the dislocation generation rate. For example, the characteristic double peak in the temperature dependence of strain aging was simplified to a single broad minimum in the mobile dislocation density over the temperature interval 500-700 K. The shape of the yield point was also found to be temperature dependent; the yield drop became less sharp at test temperatures above 648 K. This was ascribed to the inhibition of dislocation multiplication by dynamic strain aging. A kinetic law was developed by applying Snoek ordering kinetics to the process of dislocation locking and the resultant change in mobile dislocation density was then used to predict the strain-aging response as a function of aging time. The stress dependence of strain aging at 573 K was investigated at aging stresses of between 0.07 and 0.975 of the flow stress sigmasub(f). The strain-aging response increased for aging at stresses between 0.07sigmassub(f) and 0.8sigmasub(f), whereafter it declined steeply to the limit of zero at the flow stress. (Auth.)

  14. Towards a quantification of stress corrosion mechanisms: numerical simulations of hydrogen-dislocations at the very crack tip

    International Nuclear Information System (INIS)

    Chateau, J.P.

    1999-01-01

    We discuss the respective roles played by anodic dissolution and hydrogen in SCC mechanisms of f.c.c. materials, by studying the fracture of copper in nitrite for which we compare the results with that previously obtained in 316L steel in hot chloride. It is surprising to note that even the crystallographies at the scale of the micron are different, the macroscopic inclination of the fracture surfaces are the same. In the case of 316L steel, the formation of strong pile-ups in the presence of hydrogen leads to a zigzag fracture along alternated slip planes in the most general case. In the absence of hydrogen, as in copper, this mechanism effectively disappears. Furthermore, numerical simulations of crack shielding by dislocations emitted on one plane predict the macroscopic inclination. It shows that it is due to the mere dissolution which confines slip activity at the very crack tip in f.c.c. materials. In order to quantify the mechanism involved in 316L steel, we developed simulations which numerically solve the coupled diffusion and elasticity equations for hydrogen in the presence of a crack and shielding dislocations. They reproduce the mechanisms of hydrogen segregation on edge dislocations and of a localised softening effect by decreasing pair interactions. These mechanisms lead to i) a localisation of hydrogen embrittlement along the activated slip planes, ii) an increase of the dislocation density in pile-ups, and iii) a decrease of the cross slip probability. These three factors enhance micro-fracture at the head of a pile-up, which is responsible of the zigzag fracture. Introducing the free surface effects for hydrogen, we point out a new mechanism: the inhibition of dislocation sources at the crack tip, which is relevant with the brittle fracture surfaces observed in some cases in 316L steel. The quantification of these different mechanisms allows to give a relation between the local fracture possibility and the macroscopic parameters. A general law for

  15. Disclinations, dislocations, and continuous defects: A reappraisal

    Science.gov (United States)

    Kleman, M.; Friedel, J.

    2008-01-01

    Disclinations were first observed in mesomorphic phases. They were later found relevant to a number of ill-ordered condensed-matter media involving continuous symmetries or frustrated order. Disclinations also appear in polycrystals at the edges of grain boundaries; but they are of limited interest in solid single crystals, where they can move only by diffusion climb and, owing to their large elastic stresses, mostly appear in close pairs of opposite signs. The relaxation mechanisms associated with a disclination in its creation, motion, and change of shape involve an interplay with continuous or quantized dislocations and/or continuous disclinations. These are attached to the disclinations or are akin to Nye’s dislocation densities, which are particularly well suited for consideration here. The notion of an extended Volterra process is introduced, which takes these relaxation processes into account and covers different situations where this interplay takes place. These concepts are illustrated by a variety of applications in amorphous solids, mesomorphic phases, and frustrated media in their curved habit space. These often involve disclination networks with specific node conditions. The powerful topological theory of line defects considers only defects stable against any change of boundary conditions or relaxation processes compatible with the structure considered. It can be seen as a simplified case of the approach considered here, particularly suited for media of high plasticity or/and complex structures. It cannot analyze the dynamical properties of defects nor the elastic constants involved in their static properties; topological stability cannot guarantee energetic stability, and sometimes cannot distinguish finer details of the structure of defects.

  16. Intensity Distribution of the Three-Wave Diffraction from Dislocation Epitaxial Layers in the Reciprocal Space

    Science.gov (United States)

    Kyutt, R. N.

    2018-04-01

    The three-wave X-ray diffraction in strongly disordered epitaxial layers of GaN and ZnO is experimentally investigated. The charts of the intensity distribution in the reciprocal space are plotted in coordinates q θ and q ϕ for the most intensive three-wave combination (1010)/(1011) by means of subsequent θ- and ϕ-scanning. A nontrivial shape of the θ-sections of these contours at a distance from the ϕ center of reflection is revealed; it is different for different samples. For the θ-curves at the center of reflection, we observed a common peak that may be approximated by the Voigt function with a power-low decrease in the intensity at the wings; the decrease law (from-4.5 to-5.0) is found to be considerably greater than that for the similar curves of two-wave diffraction and not depending on the dislocation density and distribution in layers. In some films we observed a coarse-block structure; in addition, it follows from the distribution in the reciprocal space that these blocks are turned with respect to each other around a normal to the surface, which allows us to suggest the existence of low-angle boundaries between them, consisting exclusively of edge dislocations.

  17. Traumatic hip dislocation: early MRI findings

    International Nuclear Information System (INIS)

    Laorr, A.; Greenspan, A.; Anderson, M.W.; Moehring, H.D.; McKinley, T.

    1995-01-01

    Objective of this study was to present the spectrum of early magnetic resonance imaging (MRI) findings following traumatic dislocation of the femoral head, and to identify any associated injuries. Prospective MRI of both hips was performed on 18 patients within 5 weeks of a traumatic femoral head dislocation. The interval between the time of injury and the imaging studies ranged from 2 to 35 days. Posterior dislocation was present in 14 patients and anterior dislocation in 4 patients. In the majority of cases, we performed axial T1, coronal T1, and coronal T2 * (MPGR) sequences. MRI can effectively identify and quantify the muscle injury and joint effusion that invariably accompany traumatic hip dislocations. It is also useful for demonstrating trabecular bone contusion (trabecular injury) and iliofemoral ligament injury, which occur commonly with acute hip dislocation. (orig./VHE)

  18. Atraumatic Anterior Dislocation of the Hip Joint

    Directory of Open Access Journals (Sweden)

    Tadahiko Ohtsuru

    2015-01-01

    Full Text Available Dislocation of the hip joint in adults is usually caused by high-energy trauma such as road traffic accidents or falls from heights. Posterior dislocation is observed in most cases. However, atraumatic anterior dislocation of the hip joint is extremely rare. We present a case of atraumatic anterior dislocation of the hip joint that was induced by an activity of daily living. The possible causes of this dislocation were anterior capsule insufficiency due to developmental dysplasia of the hip, posterior pelvic tilt following thoracolumbar kyphosis due to vertebral fracture, and acetabular anterior coverage changes by postural factor. Acetabular anterior coverage changes in the sagittal plane were measured using a tomosynthesis imaging system. This system was useful for elucidation of the dislocation mechanism in the present case.

  19. Effects of dislocations on electron channeling

    International Nuclear Information System (INIS)

    George, Juby; Pathak, A P

    2009-01-01

    The phenomenon of electron channeling in a crystal affected by dislocations is considered. Earlier we had considered the quantum aspects of the positron channeling in a crystal bent by dislocations where the effects of longitudinal motion of the particle were also considered along with the transverse motion. In this paper, the effective potential for the electron case is found for the two regions of dislocation-affected channel. There is considerable shift in the potential minima due to dislocations. The frequency and the corresponding spectrum of the channeling radiation due to electrons channeling through the perfect channel and the two regions of dislocation-affected channels are calculated. The spectral distribution of radiation intensity changes with the parameters of dislocation. The continuity of wavefunctions and their derivatives is used at the three boundaries and the reflection and transmission coefficients are found using these boundary conditions in the same way as in the positron case.

  20. The effect of lattice misfit on the dislocation motion in superalloys during high-temperature low-stress creep

    International Nuclear Information System (INIS)

    Zhang, J.X.; Wang, J.C.; Harada, H.; Koizumi, Y.

    2005-01-01

    The development of dislocation configurations in two single-crystal superalloys during high-temperature low-stress creep (1100 deg C, 137 MPa) was investigated with the use of transmission electron microscopy. Detailed analysis showed that the lattice misfit has an important influence on the dislocation movement. For an alloy with a large negative lattice misfit, the dislocations are able to move smoothly by cross-slip in the horizontal γ channels. During subsequent formation of γ/γ' rafted structure, the dislocations on the surface of γ' cuboids rapidly re-orientate themselves from to direction and form a complete network. For an alloy with a small lattice misfit, the dislocations move by the combination of climbing and gliding processes, and the resultant γ/γ' interfacial dislocation network is incomplete. A good explanation of the creep curves is obtained from these differences in the microstructures

  1. STIR Proposal For Research Area 2.1.2 Surface Energy Balance: Transient Soil Density Impacts Land Surface Characteristics and Characterization

    Science.gov (United States)

    2015-12-22

    al., 2008; Logsdon, 2012; Liu et al., 2014). Freeze-thaw processes alter surface density and arrangement seasonally (Staricka and Benoit , 1995... Ma , L., L.R. Ahuja, B.T. Nolan, R.W. Malone, T.J. Trout, and Z. Qi. 2012. Root zone water quality model (RZWQM2): model use, calibration, and

  2. Rare Inferior Shoulder Dislocation (Luxatio Erecta)

    OpenAIRE

    Cift, Hakan; Soylemez, Salih; Demiroglu, Murat; Ozkan, Korhan; Ozden, Vahit Emre; Ozkut, Afsar T.

    2015-01-01

    Although shoulder dislocations have been seen very frequently, inferior dislocation of shoulder constitutes only 0.5% of all shoulder dislocations. We share our 4 patients with luxatio erecta and present their last clinical control. 2 male and 2 female Caucasian patients were diagnosed as luxatio erecta. Patients’ ages were 78, 62, 65, and 76. All patients’ reduction was done by traction-abduction and contour traction maneuver in the operating room. The patients had no symptoms and no limitat...

  3. Piles of dislocation loops in real crystals

    International Nuclear Information System (INIS)

    Dubinko, V.I.; Turkin, A.A.; Yanovskij, V.V.

    1985-01-01

    Behaviour of piles of dislocation loops in crystals was studied in order to define metal swelling under irradiation. Energy of pile interaction with point defects and intrinsic pile energy are studied in the framework of the linear elasticity theory. Preference of dislocation pile calculated in the paper decreases with radiation dose hence, material swelling rate also decreases. Creation of conditions, which assume an existence of piles of dislocation loops being stable under irradiation, is of particular interest

  4. Imaging findings of anterior hip dislocations

    Energy Technology Data Exchange (ETDEWEB)

    Pfeifer, Kyle [Mallinckrodt Institute of Radiology, Department of Radiology, St. Louis, MO (United States); Leslie, Michael [Yale School of Medicine, Department of Orthopedics and Rehabilitation, New Haven, CT (United States); Menn, Kirsten; Haims, Andrew [Yale University School of Medicine, Department of Radiology and Biomedical Imaging, New Haven, CT (United States)

    2017-06-15

    Anterior hip dislocations are rare orthopedic emergencies resulting from high-energy trauma and have unique imaging characteristics on radiography, computed tomography (CT), and magnetic resonance imaging (MRI). Imaging findings on CT and MRI allow for the prompt recognition and classification of anterior hip dislocations, which guides patient management and reduces complications. The purpose of this article is to review imaging findings of anterior hip dislocations, specifically focusing on CT and MRI. (orig.)

  5. Insertion torques influenced by bone density and surface roughness of HA–TiO{sub 2} coatings

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, T.; Chen, Y.; Nie, X., E-mail: xnie@uwindsor.ca

    2013-12-31

    Bio-ceramic TiO{sub 2} coatings containing calcium (Ca) and phosphorous (P) were deposited onto Ti–6Al–4V alloy screws using plasma electrolytic oxidation (PEO) processes in an alkaline electrolyte with hydroxyapatite (HA) suspension. Coating on each screw had different surface roughness and morphology. Insertion torque (IT) of the coated screws in low (10 pcf, pounds per cubic feet), medium–high (20 pcf), and high (40 pcf) density of artificial bones was measured in comparison with that of the uncoated and sandblasted screws having similar surface roughness. Higher insertion torques and final seating torques were obtained in the coated screws which may result in less micro-movement during the primary implantation stage and thus lower the risk of implant failure. Scanning electron microscopy (SEM) analysis indicated that all coatings still adhesively remained on the screw surfaces after inserted into the bones with different densities. The relationship between coefficient of friction and surface roughness was also addressed to better understand the results of insertion torque. It was found that a lower density bone (similar to aged bone) would need a surface-rougher coated screw to achieve a high torque while a high density bone can have a wide range of selections for surface roughness of the screw. - Highlights: • The insertion torque of PEO-coated screws is higher than machined and sandblasting implants. • Lower density bone needs a rougher coated implant to increase the insertion torque. • The composite HA–TiO{sub 2} coating could benefit dental implants in both primary and secondary stability stages.

  6. High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

    Science.gov (United States)

    Pogorelko, Victor V.; Mayer, Alexander E.; Krasnikov, Vasiliy S.

    2016-12-01

    We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2-22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the system about 700-900 K are optimal parameters for production of high-quality layers of copper on the aluminum surface. These conditions provide both a good adhesion and a less degree of the plastic deformation. At the same time, higher impact velocities can be used for combined treatment consisting of both the plastic deformation and the coating.

  7. Minimum energy path for the nucleation of misfit dislocations in Ge/Si(0 0 1) heteroepitaxy

    International Nuclear Information System (INIS)

    Trushin, O; Maras, E; Jónsson, H; Ala-Nissila, T; Stukowski, A; Granato, E; Ying, S C

    2016-01-01

    A possible mechanism for the formation of a 90° misfit dislocation at the Ge/Si(0 0 1) interface through homogeneous nucleation is identified from atomic scale calculations where a minimum energy path connecting the coherent epitaxial state and a final state with a 90° misfit dislocation is found using the nudged elastic band method. The initial path is generated using a repulsive bias activation procedure in a model system including 75 000 atoms. The energy along the path exhibits two maxima in the energy. The first maximum occurs as a 60° dislocation nucleates. The intermediate minimum corresponds to an extended 60° dislocation. The subsequent energy maximum occurs as a second 60° dislocation nucleates in a complementary, mirror glide plane, simultaneously starting from the surface and from the first 60° dislocation. The activation energy of the nucleation of the second dislocation is 30% lower than that of the first one showing that the formation of the second 60° dislocation is aided by the presence of the first one. The simulations represent a step towards unraveling the formation mechanism of 90° dislocations, an important issue in the design of growth procedures for strain released Ge overlayers on Si(1 0 0) surfaces, and more generally illustrate an approach that can be used to gain insight into the mechanism of complex nucleation paths of extended defects in solids. (paper)

  8. Segregation of cascade induced interstitial loops at dislocations: possible effect on initiation of plastic deformation

    Energy Technology Data Exchange (ETDEWEB)

    Trinkaus, H. [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Festkoerperforschung; Singh, B.N. [Materials Research Department, Risoe National Laboratory, DK-4000 Roskilde (Denmark); Foreman, A.J.E. [Materials Performance Department, Harwell Laboratory, Oxfordshire OX11 0RA (United Kingdom)

    1997-11-01

    In metals and alloys subjected to cascade damage dislocations are frequently found to be decorated with a high density of small clusters of self-interstitial atoms (SIAs) in the form of dislocation loops. In the present paper it is shown that this effect may be attributed to the glide and trapping of SIA loops, produced directly in cascades (rather than to the enhanced agglomeration of single SIAs), in the strain field of the dislocations. The conditions for the accumulation of glissile SIA loops near dislocations as well as the dose and temperature dependencies of this phenomenon are discussed. It is suggested that the decoration of dislocations with loops may play a key role in radiation hardening subjected to cascade damage. It is shown, for example, that the increase in the upper yield stress followed by a yield drop and plastic instability in metals andalloys subjected to cascade damage cannot be rationalized in terms of conventional dispersed barrier hardening (DBH) but may be understood in terms of cascade induced source hardening (CISH) in which the dislocations are considered to be locked by the loops decorating them. Estimates for the stress necessary to pull a dislocation away from its loop `cloud` are used to discuss the dose and temperature dependence of plastic flow initiation. (orig.). 55 refs.

  9. Segregation of cascade induced interstitial loops at dislocations: possible effect on initiation of plastic deformation

    International Nuclear Information System (INIS)

    Trinkaus, H.; Foreman, A.J.E.

    1997-01-01

    In metals and alloys subjected to cascade damage dislocations are frequently found to be decorated with a high density of small clusters of self-interstitial atoms (SIAs) in the form of dislocation loops. In the present paper it is shown that this effect may be attributed to the glide and trapping of SIA loops, produced directly in cascades (rather than to the enhanced agglomeration of single SIAs), in the strain field of the dislocations. The conditions for the accumulation of glissile SIA loops near dislocations as well as the dose and temperature dependencies of this phenomenon are discussed. It is suggested that the decoration of dislocations with loops may play a key role in radiation hardening subjected to cascade damage. It is shown, for example, that the increase in the upper yield stress followed by a yield drop and plastic instability in metals andalloys subjected to cascade damage cannot be rationalized in terms of conventional dispersed barrier hardening (DBH) but may be understood in terms of cascade induced source hardening (CISH) in which the dislocations are considered to be locked by the loops decorating them. Estimates for the stress necessary to pull a dislocation away from its loop 'cloud' are used to discuss the dose and temperature dependence of plastic flow initiation. (orig.)

  10. Dislocation Strengthening without Ductility Trade-off in Metastable Austenitic Steels

    Science.gov (United States)

    Liu, Jiabin; Jin, Yongbin; Fang, Xiaoyang; Chen, Chenxu; Feng, Qiong; Liu, Xiaowei; Chen, Yuzeng; Suo, Tao; Zhao, Feng; Huang, Tianlin; Wang, Hongtao; Wang, Xi; Fang, Youtong; Wei, Yujie; Meng, Liang; Lu, Jian; Yang, Wei

    2016-10-01

    Strength and ductility are mutually exclusive if they are manifested as consequence of the coupling between strengthening and toughening mechanisms. One notable example is dislocation strengthening in metals, which invariably leads to reduced ductility. However, this trend is averted in metastable austenitic steels. A one-step thermal mechanical treatment (TMT), i.e. hot rolling, can effectively enhance the yielding strength of the metastable austenitic steel from 322 ± 18 MPa to 675 ± 15 MPa, while retaining both the formability and hardenability. It is noted that no boundaries are introduced in the optimized TMT process and all strengthening effect originates from dislocations with inherited thermal stability. The success of this method relies on the decoupled strengthening and toughening mechanisms in metastable austenitic steels, in which yield strength is controlled by initial dislocation density while ductility is retained by the capability to nucleate new dislocations to carry plastic deformation. Especially, the simplicity in processing enables scaling and industrial applications to meet the challenging requirements of emissions reduction. On the other hand, the complexity in the underlying mechanism of dislocation strengthening in this case may shed light on a different route of material strengthening by stimulating dislocation activities, rather than impeding motion of dislocations.

  11. Growth rate effects on the formation of dislocation loops around deep helium bubbles in Tungsten

    International Nuclear Information System (INIS)

    Sandoval, Luis; Perez, Danny; Uberuaga, Blas P.; Voter, Arthur Ford

    2016-01-01

    Here, the growth process of spherical helium bubbles located 6 nm below a (100) surface is studied using molecular dynamics and parallel replica dynamics simulations, over growth rates from 10"6 to 10"1"2 helium atoms per second. Slower growth rates lead to a release of pressure and lower helium content as compared with fast growth cases. In addition, at slower growth rates, helium bubbles are not decorated by multiple dislocation loops, as these tend to merge or emit given sufficient time. At faster rates, dislocation loops nucleate faster than they can emit, leading to a more complicated dislocation structure around the bubble.

  12. In-situ TEM study of dislocation patterning during deformation in single crystal aluminum

    International Nuclear Information System (INIS)

    Landau, P; Shneck, R Z; Makov, G; Venkert, A

    2010-01-01

    The evolution of dislocation patterns in single crystal aluminum was examined using transmission electron microscopy (TEM). In-situ tensile tests of single crystals were carried out in a manner that activated double slip. Cross slip of dislocations, which is prominent in all stages of work hardening, plays an important role in dislocation motion and microstructural evolution. In spite of the limitations of in-situ straining to represent bulk phenomena, due to surface effects and the thickness of the samples, it is shown that experiments on prestrained samples can represent the early stages of deformation. Transition between stage I and stage II of work hardening and evolution during stage III were observed.

  13. Energy flow around a moving dislocation

    International Nuclear Information System (INIS)

    Koizumi, H; Kirchner, H O K

    2009-01-01

    A dislocation moving in a lattice emits lattice waves. We study the energy flow accompanying the lattice wave emission in a molecular dynamics situation. About two thirds of the static free energy are emitted as lattice waves from the moving dislocation. Work done by the region around the dislocation helps to initiate the motion from the unstable equilibrium state under a small applied stress, or to compensate the energy emitted as lattice waves when the dislocation makes a long distance motion under a larger stress.

  14. Epidemiology of Isolated Acromioclavicular Joint Dislocation

    Directory of Open Access Journals (Sweden)

    Claudio Chillemi

    2013-01-01

    Full Text Available Background. Acromioclavicular (AC joint dislocation is a common shoulder problem. However, information about the basic epidemiological features of this condition is scarce. The aim of this study is to analyze the epidemiology of isolated AC dislocation in an urban population. Materials and Methods. A retrospective database search was performed to identify all patients with an AC dislocation over a 5-year period. Gender, age, affected side and traumatic mechanism were taken into account. X-rays were reviewed by two of the authors and dislocations were classified according to the Rockwood’s criteria. Results. A total of 108 patients, with a mean age of 37.5 years were diagnosed with AC dislocation. 105 (97.2% had an isolated AC dislocation, and 3 (2.8% were associated with a clavicle fracture. The estimated incidence was 1.8 per 10000 inhabitants per year and the male-female ratio was 8.5 : 1. 50.5% of all dislocations occurred in individuals between the ages of 20 and 39 years. The most common traumatic mechanism was sport injury and the most common type of dislocation was Rockwood type III. Conclusions. Age between 20 and 39 years and male sex represent significant demographic risk factors for AC dislocation.

  15. Structure of the Dislocation in Sapphire

    DEFF Research Database (Denmark)

    Bilde-Sørensen, Jørgen; Thölen, A. R.; Gooch, D. J.

    1976-01-01

    Experimental evidence of the existence of 01 0 dislocations in the {2 0} prism planes in sapphire has been obtained by transmission electron microscopy. By the weak-beam technique it has been shown that the 01 0 dislocations may dissociate into three partials. The partials all have a Burgers vector...... of ⅓ 01 0 and are separated by two identical faults. The distance between two partials is in the range 75-135 Å, corresponding to a fault energy of 320±60 mJ/m2. Perfect 01 0 dislocations have also been observed. These dislocations exhibited either one or two peaks when imaged in the (03 0) reflection...

  16. Evolution of Mars’ Northern Polar Seasonal CO2 deposits: variations in surface brightness and bulk density

    Science.gov (United States)

    Mount, Christopher P.; Titus, Timothy N.

    2015-01-01

    Small scale variations of seasonal ice are explored at different geomorphic units on the Northern Polar Seasonal Cap (NPSC). We use seasonal rock shadow measurements, combined with visible and thermal observations, to calculate density over time. The coupling of volume density and albedo allows us to determine the microphysical state of the seasonal CO2 ice. We find two distinct endmembers across the NPSC: 1) Snow deposits may anneal to form an overlying slab layer that fractures. These low density deposits maintain relatively constant densities over springtime. 2) Porous slab deposits likely anneal rapidly in early spring and fracture in late spring. These high density deposits dramatically increase in density over time. The endmembers appear to be correlated with latitude.

  17. Metal working and dislocation structures

    DEFF Research Database (Denmark)

    Hansen, Niels

    2007-01-01

    Microstructural observations are presented for different metals deformed from low to high strain by both traditional and new metal working processes. It is shown that deformation induced dislocation structures can be interpreted and analyzed within a common framework of grain subdivision on a finer...... and finer scale down to the nanometer dimension, which can be reached at ultrahigh strains. It is demonstrated that classical materials science and engineering principles apply from the largest to the smallest structural scale but also that new and unexpected structures and properties characterize metals...

  18. Fasciculations and their F-response revisited: High-density surface EMG in ALS and benign fasciculations

    NARCIS (Netherlands)

    Kleine, B.U.; Boekestein, W.A.; Arts, I.M.; Zwarts, M.J.; Schelhaas, H.J.; Stegeman, D.F.

    2012-01-01

    Objective: To compare the prevalence of fasciculation potentials (FPs) with F-responses between patients with amyotrophic lateral sclerosis (ALS) and patients with benign fasciculations. Methods: In seven patients with ALS and seven patients with benign fasciculations, high-density surface EMG was

  19. Motor unit properties of biceps brachii in chronic stroke patients assessed with high-density surface EMG

    NARCIS (Netherlands)

    Kallenberg, L.A.C.; Hermens, Hermanus J.

    2009-01-01

    The aim of this study was to investigate motor unit (MU) characteristics of the biceps brachii in post-stroke patients, using high-density surface electromyography (sEMG). Eighteen chronic hemiparetic stroke patients took part. The Fugl-Meyer score for the upper extremity was assessed. Subjects

  20. A Method for Absolute Determination of the Surface Areal Density of Functional Groups in Organic Thin Films

    Energy Technology Data Exchange (ETDEWEB)

    Min, Hyegeun; Son, Jin Gyeong; Kim, Jeong Won; Yu, Hyunung; Lee, Tae Geol; Moon, Dae Won [Korea Research Institute of Standards and Science, Daejeon (Korea, Republic of)

    2014-03-15

    To develop a methodology for absolute determination of the surface areal density of functional groups on organic and bio thin films, medium energy ion scattering (MEIS) spectroscopy was utilized to provide references for calibration of X-ray photoelectron spectroscopy (XPS) or Fourier transformation-infrared (FT-IR) intensities. By using the MEIS, XPS, and FT-IR techniques, we were able to analyze the organic thin film of a Ru dye compound (C{sub 58}H{sub 86}O{sub 8}N{sub 8}S{sub 2}Ru), which consists of one Ru atom and various stoichiometric functional groups. From the MEIS analysis, the absolute surface areal density of Ru atoms (or Ru dye molecules) was determined. The surface areal densities of stoichiometric functional groups in the Ru dye compound were used as references for the calibration of XPS and FT-IR intensities for each functional group. The complementary use of MEIS, XPS, and FT-IR to determine the absolute surface areal density of functional groups on organic and bio thin films will be useful for more reliable development of applications based on organic thin films in areas such as flexible displays, solar cells, organic sensors, biomaterials, and biochips.

  1. Hydrodeoxygenation of Phenol to Benzene and Cyclohexane on Rh(111) and Rh(211) Surfaces: Insights from Density Functional Theory

    DEFF Research Database (Denmark)

    Garcia-Pintos, Delfina; Voss, Johannes; Jensen, Anker Degn

    2016-01-01

    Herein we describe the C-O cleavage of phenol and cyclohexanol over Rh (111) and Rh (211) surfaces using density functional theory calculations. Our analysis is complemented by a microkinetic model of the reactions, which indicates that the C-O bond cleavage of cyclohexanol is easier than that of...

  2. Catalyst-Free Conjugation and In Situ Quantification of Nanoparticle Ligand Surface Density Using Fluorogenic Cu-Free Click Chemistry

    DEFF Research Database (Denmark)

    Jølck, Rasmus Irming; Sun, Honghao; Berg, Rolf Henrik

    2011-01-01

    A highly efficient method for functionalizing nanoparticles and directly quantifying conjugation efficiency and ligand surface density has been developed. Attachment of 3-azido-modifed RGD-peptides to PEGylated liposomes was achieved by using Cu-free click conditions. Upon coupling a fluorophore ...

  3. Effects of post heat-treatment on surface characteristics and adhesive bonding performance of medium density fiberboard

    Science.gov (United States)

    Nadir Ayrilimis; Jerrold E. Winandy

    2009-01-01

    A series of commercially manufactured medium density fiberboard (MDF) panels were exposed to a post-manufacture heat-treatment at various temperatures and durations using a hot press and just enough pressure to ensure firm contact between the panel and the press platens. Post-manufacture heat-treatment improved surface roughness of the exterior MDF panels. Panels...

  4. Density, viscosity, and surface tension of synthesis grade imidazolium,pyridinium, and pyrrolidinium based room temperature ionic liquids

    NARCIS (Netherlands)

    Galan Sanchez, L.M.; Espel, J.R.; Onink, S.A.F.; Meindersma, G.W.; Haan, de A.B.

    2009-01-01

    Density, viscosity, and surface tension data sets of 13 ionic liquids formed by imidazolium, pyridinium, or pyrrolidinium cations paired with dicyanamide (DCA), tetrafluoroborate (BF4¯), thiocyanate (SCN¯),methylsulfate (MeSO4¯), and trifluoroacetate (TFA) anions are reported. The properties were

  5. Possible origin of the discrepancy in Peierls stresses of fcc metals: First-principles simulations of dislocation mobility in aluminum

    Science.gov (United States)

    Shin, Ilgyou; Carter, Emily A.

    2013-08-01

    Dislocation motion governs the strength and ductility of metals, and the Peierls stress (σp) quantifies dislocation mobility. σp measurements carry substantial uncertainty in face-centered cubic (fcc) metals, and σp values can differ by up to two orders of magnitude. We perform first-principles simulations based on orbital-free density functional theory (OFDFT) to calculate the most accurate currently possible σp for the motion of (1)/(2)111 dislocations in fcc Al. We predict the σps of screw and edge dislocations (dissociated in their equilibrium state) to be 1.9×10-4G and 4.9×10-5G, respectively (G is the shear modulus). These values fall within the range of measurements from mechanical deformation tests (10-4-10-5G). OFDFT also finds a new metastable structure for a screw dislocation not seen in earlier simulations, in which a dislocation core on the glide plane does not dissociate into partials. The corresponding σp for this undissociated dislocation is predicted to be 1.1×10-2G, which agrees with typical Bordoni peak measurements (10-2-10-3G). The calculated σps for dissociated and undissociated screw dislocations differ by two orders of magnitude. The presence of undissociated, as well as dissociated, screw dislocations may resolve the decades-long mystery in fcc metals regarding the two orders of magnitude discrepancy in σp measurements.

  6. Dislocation/hydrogen interaction mechanisms in hydrided nanocrystalline palladium films

    International Nuclear Information System (INIS)

    Amin-Ahmadi, Behnam; Connétable, Damien; Fivel, Marc; Tanguy, Döme; Delmelle, Renaud; Turner, Stuart; Malet, Loic; Godet, Stephane; Pardoen, Thomas; Proost, Joris; Schryvers, Dominique

    2016-01-01

    The nanoscale plasticity mechanisms activated during hydriding cycles in sputtered nanocrystalline Pd films have been investigated ex-situ using advanced transmission electron microscopy techniques. The internal stress developing within the films during hydriding has been monitored in-situ. Results showed that in Pd films hydrided to β-phase, local plasticity was mainly controlled by dislocation activity in spite of the small grain size. Changes of the grain size distribution and the crystallographic texture have not been observed. In contrast, significant microstructural changes were not observed in Pd films hydrided to α-phase. Moreover, the effect of hydrogen loading on the nature and density of dislocations has been investigated using aberration-corrected TEM. Surprisingly, a high density of shear type stacking faults has been observed after dehydriding, indicating a significant effect of hydrogen on the nucleation energy barriers of Shockley partial dislocations. Ab-initio calculations of the effect of hydrogen on the intrinsic stable and unstable stacking fault energies of palladium confirm the experimental observations.

  7. Cellular dislocations patterns in monolike silicon: Influence of stress, time under stress and impurity doping

    Science.gov (United States)

    Oliveira, V. A.; Rocha, M.; Lantreibecq, A.; Tsoutsouva, M. G.; Tran-Thi, T. N.; Baruchel, J.; Camel, D.

    2018-05-01

    Besides the well-known local sub-grain boundaries (SGBs) defects, monolike Si ingots grown by Directional Solidification present distributed background cellular dislocation structures. In the present work, the influence of stress level, time under stress, and doping by O and Ge, on the formation of dislocation cells in monolike silicon, is analysed. This is achieved by performing a comparative study of the dislocation structures respectively obtained during crystallisation of pilot scale monolike ingots on Czochralski (CZ) and monolike seeds, during annealing of Float Zone (FZ), CZ, and 1 × 1020 at/cm3 Ge-doped CZ (GCZ) samples, and during 4-point bending of FZ and GCZ samples at 1300 °C under resolved stresses of 0.3, 0.7 and 1.9 MPa during 1-20 h. Synchrotron X-ray White-beam Topography and Rocking Curve Imaging (RCI) are applied to visualize the dislocation arrangements and to quantify the spatial distribution of the associated lattice distortions. Annealed samples and samples bent under 0.3 MPa present dislocation structures corresponding to transient creep stages where dislocations generated from surface defects are propagating and multiplying in the bulk. The addition of the hardening element Ge is found to block the propagation of dislocations from these surface sources during the annealing test, and to retard dislocation multiplication during bending under 0.3 MPa. On the opposite, cellular structures corresponding to the final stationary creep stage are obtained both in the non-molten seeds and grown part of monolike ingots and in samples bent under 0.7 and 1.9 MPa. A comparative discussion is made of the dynamics of formation of these final dislocation structures during deformation at high temperature and monolike growth.

  8. Quantitative analysis of screw dislocations in 6H-SiC single crystals

    International Nuclear Information System (INIS)

    Dudley, M.; Si, W.; Wang, S.

    1997-01-01

    Screw dislocations along the [0001[ axis in 6H-SiC single crystals have been studied extensively by Synchrotron White-Beam X-ray Topography (SWBXT), Scanning Electron Microscopy (SEM), and Nomarski Optical Microscopy (NOM). Using SWBXT, the magnitude of the Burgers vector of screw dislocations has been determined by measuring the following four parameters: 1) the diameter of dislocation images in back-reflection topographs; 2) the width of bimodal dislocation images in transmission topographs; 3) the magnitude of the tilt of lattice planes on both sides of dislocation core in projection topographs; and 4) the magnitude of the tilt of lattice planes in section topographs. The four methods show good agreement. SEM results reveal that micropipes in the form of hollow tubes run through the crystal emerging as holes on the as-grown surface, with their diameters ranging from about 0.1 to a few micrometers. Correlation between topographic images and SEM micrographs shows that micropipes are screw dislocations with Burgers vector magnitudes from 2c to 7c (c is the lattice constant along the [0001[ axis). There is no empirical evidence that 1c dislocations have hollow cores. The Burgers vector magnitude of screw dislocations, b, and the diameter of associated micropipes, D, were fitted to Frank's prediction for hollow-core screw dislocations: D = μb 2 / 4π 2 γ, where μ is the shear modulus and γ is the specific surface energy. Statistical analysis of the relationship between D and b 2 shows that it is approximately linear, and the constant, γ / μ ranges from 1.1 x 10 -3 to 1.6 x 10 -3 nm

  9. Meltwater storage in low-density near-surface bare ice in the Greenland ice sheet ablation zone

    Science.gov (United States)

    Cooper, Matthew G.; Smith, Laurence C.; Rennermalm, Asa K.; Miège, Clément; Pitcher, Lincoln H.; Ryan, Jonathan C.; Yang, Kang; Cooley, Sarah W.

    2018-03-01

    We document the density and hydrologic properties of bare, ablating ice in a mid-elevation (1215 m a.s.l.) supraglacial internally drained catchment in the Kangerlussuaq sector of the western Greenland ice sheet. We find low-density (0.43-0.91 g cm-3, μ = 0.69 g cm-3) ice to at least 1.1 m depth below the ice sheet surface. This near-surface, low-density ice consists of alternating layers of water-saturated, porous ice and clear solid ice lenses, overlain by a thin (sheet ablation zone surface. A conservative estimate for the ˜ 63 km2 supraglacial catchment yields 0.009-0.012 km3 of liquid meltwater storage in near-surface, porous ice. Further work is required to determine if these findings are representative of broader areas of the Greenland ice sheet ablation zone, and to assess the implications for sub-seasonal mass balance processes, surface lowering observations from airborne and satellite altimetry, and supraglacial runoff processes.

  10. Verification of surface contamination density standard using clearance automatic laser inspection system for objects from a nuclear power plant

    International Nuclear Information System (INIS)

    Sasaki, Michiya; Ogino, Haruyuki; Ichiji, Takeshi; Hattori, Takatoshi

    2008-01-01

    In the clearance level inspection in Japan, it is necessary to indicate that the activity level of the target object must be less than not only the clearance levels, but also the surface contamination density standards. The classification measurements for these two standards have been performed separately, and the GM survey meters based on beta-ray measurement have mainly been used for surface contamination density measurement so far. Recently the Clearance Automatic Laser Inspection System, named CLALIS, has been developed to estimate the low-level activity concentration. This system consists of 3-dimensional laser scanner for shape measurement and eight large NE102A plastic scintillation detectors for gamma-ray measurement, and it has been clarified that the CLALIS has adequate detection ability for clearance measurement of both metal scraps and concrete debris. In this study, we compared the surface contamination densities for a number of actual contaminated and non-contaminated objects generated inside from the radiation controlled area at the Kashiwazaki-Kariwa nuclear power station by using the CLALIS and the GM survey meter. As a result, since CLALIS could detect the surface contamination as well as the GM survey meter for all measurement targets, it was revealed that CLALIS can rationally achieve clearance level inspection in a single radiation measurement. The practicality of CLALIS in view of the detection limit and processing time was discussed by comparison with the usual radiation monitors for surface contamination measurement. (author)

  11. Measurements relating fire radiative energy density and surface fuel consumption - RxCADRE 2011 and 2012

    Science.gov (United States)

    Andrew T. Hudak; Matthew B. Dickinson; Benjamin C. Bright; Robert L. Kremens; E. Louise Loudermilk; Joseph J. O' Brien; Benjamin S. Hornsby; Roger D. Ottmar

    2016-01-01

    Small-scale experiments have demonstrated that fire radiative energy is linearly related to fuel combusted but such a relationship has not been shown at the landscape level of prescribed fires. This paper presents field and remotely sensed measures of pre-fire fuel loads, consumption, fire radiative energy density (FRED) and fire radiative power flux density (FRFD),...

  12. Measurement of probability distributions for internal stresses in dislocated crystals

    Energy Technology Data Exchange (ETDEWEB)

    Wilkinson, Angus J.; Tarleton, Edmund; Vilalta-Clemente, Arantxa; Collins, David M. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Jiang, Jun; Britton, T. Benjamin [Department of Materials, Imperial College London, Royal School of Mines, Exhibition Road, London SW7 2AZ (United Kingdom)

    2014-11-03

    Here, we analyse residual stress distributions obtained from various crystal systems using high resolution electron backscatter diffraction (EBSD) measurements. Histograms showing stress probability distributions exhibit tails extending to very high stress levels. We demonstrate that these extreme stress values are consistent with the functional form that should be expected for dislocated crystals. Analysis initially developed by Groma and co-workers for X-ray line profile analysis and based on the so-called “restricted second moment of the probability distribution” can be used to estimate the total dislocation density. The generality of the results are illustrated by application to three quite different systems, namely, face centred cubic Cu deformed in uniaxial tension, a body centred cubic steel deformed to larger strain by cold rolling, and hexagonal InAlN layers grown on misfitting sapphire and silicon carbide substrates.

  13. Effect of hydrogen addition on burning rate and surface density of turbulent lean premixed methane-air flames

    International Nuclear Information System (INIS)

    Guo, H.; Tayebi, B.; Galizzi, C.; Escudie, D.

    2009-01-01

    Hydrogen (H 2 ) is a clean burning component, but relatively expensive. Mixing a small amount of hydrogen with other fuels is an effective way to use H 2 . H 2 enriched combustion significantly improves fuel efficiency and reduces pollutant (nitrogen oxide and particulate matter) emissions. This presentation discussed the effect of hydrogen addition on burning rate and surface density of turbulent lean premixed methane-air flames. The presentation discussed flame configuration; the experimental methodology using laser tomography; and results for typical images, burning velocity, ratio of turbulent to laminar burning velocities, flame surface density, curvature, flame brush thickness, and integrated flame surface area. It was concluded that the increase of turbulent burning velocity was faster than that of laminar burning velocity, which contradicted traditional theory. figs.

  14. Dislocation structures and mechanical behaviour of Ge single crystals deformed by compression

    International Nuclear Information System (INIS)

    Nyilas, K.; Dupas, C.; Kruml, T.; Zsoldos, L.; Ungar, T.; Martin, J.L.

    2004-01-01

    Stress-strain curves of germanium interrupted by dip tests reveal that the internal stresses ascend parallel to the applied stress in a strain-rate dependent way. To understand this peculiar behaviour, the dislocation microstructure has been characterized. Transmission electron microscopy images show that regions of high dislocation activity along the primary slip system are separated by dislocation-free zones. X-ray microdiffraction reveals that the dislocation density is fluctuating on a 100 μm scale. X-ray reciprocal-space mapping, together with scanning microdiffraction, shows that misoriented mosaic blocks are forming owing to the boundary conditions in the compression test. These preliminary results reveal deformation heterogeneity both at macroscopic and mesoscopic scales

  15. Nucleation of dislocations from [0 0 1] bicrystal interfaces in aluminum

    International Nuclear Information System (INIS)

    Spearot, Douglas E.; Jacob, Karl I.; McDowell, David L.

    2005-01-01

    It is well established from molecular dynamics simulations that grain boundaries in nanocrystalline samples serve as sources of dislocations. In this work, we use molecular dynamics simulations to study the mechanisms associated with dislocation nucleation from bicrystal [0 0 1] interfaces in aluminum. Three interface misorientations are studied, including the Σ5 (3 1 0) boundary, which has a high density of coincident atomic sites. Molecular dynamics simulations show that full dislocation loops are nucleated from each interface during uniaxial tension. After the second partial dislocation is emitted, a ledge remains within the interface at the intersection of the slip plane and the bicrystal boundary. A disclination dipole model is proposed for the structure of the distorted interface accounting for local lattice rotations and the ledge at the nucleation site

  16. The effect of the dislocation image force on the brittle behaviour of materials

    International Nuclear Information System (INIS)

    Lung, C.W.

    1986-06-01

    The dislocation image force due to the free surface of a finite width specimen makes the plastic zone at a crack tip larger. The effect of the dislocation image force on the fracture behaviour of materials with different geometrical shapes is discussed. It is found that the ratio V/A as an indication of the brittle behaviour of structural components is reasonable for elastic-plastic fracture. (author)

  17. Dislocation-free zone model of fracture comparison with experiments

    International Nuclear Information System (INIS)

    Ohr, S.M.; Chang, S.

    1982-01-01

    The dislocation-free zone (DFZ) model of fracture has been extended to study the relationship between the stress intensity factor, extent of plastic deformation, and crack tip geometry of an elastic-plastic crack as a function of applied stress. The results show that the stress intensity factor K decreases from the elastic value at first slowly, then goes rapidly to zero as the number of dislocations in the plastic zone increases. The crack with a zero stress intensity factor has its crack tip stress field completely relaxed by plastic deformation and hence is called a plastic crack. Between the elastic and plastic cracks, a wide range of elastic-plastic cracks having both a stress singularity and a plastic zone are possible. These elastic-plastic cracks with a DFZ are predicted if there is a critical stress intensity factor K/sub g/ required for the generation of dislocations at the crack tip. The expression for K/sub g/ is obtained from the crack tip dislocation nucleation model of Rice and Thomson. In most metals, the magnitude of K/sub g/ is less than the critical stress intensity factor for brittle fracture K/sub c/. The values of K are determined from electron microscope fracture experiments for various metals and they are found to be in good agreement with the K/sub g/ predicted from the model. It is concluded that for most ductile and semibrittle metals, the mechanism of dislocation generation is more important than the fracture surface energy in determining the stress intensity factor at the crack tip

  18. Atomistic simulation of hydrogen dynamics near dislocations in vanadium hydrides

    International Nuclear Information System (INIS)

    Ogawa, Hiroshi

    2015-01-01

    Highlights: • Hydrogen–dislocation interaction was simulated by molecular dynamics method. • Different distribution of H atoms were observed at edge and screw dislocation. • Planner distribution of hydrogen may be caused by partialized edge dislocation. • Hydrogen diffusivity was reduced in both edge and screw dislocation models. • Pipe diffusion was observed for edge dislocation but not for screw dislocation. - Abstract: Kinetics of interstitial hydrogen atoms near dislocation cores were analyzed by atomistic simulation. Classical molecular dynamics method was applied to model structures of edge and screw dislocations in α-phase vanadium hydride. Simulation showed that hydrogen atoms aggregate near dislocation cores. The spatial distribution of hydrogen has a planner shape at edge dislocation due to dislocation partialization, and a cylindrical shape at screw dislocation. Simulated self-diffusion coefficients of hydrogen atoms in dislocation models were a half- to one-order lower than that of dislocation-free model. Arrhenius plot of self-diffusivity showed slightly different activation energies for edge and screw dislocations. Directional dependency of hydrogen diffusion near dislocation showed high and low diffusivity along edge and screw dislocation lines, respectively, hence so called ‘pipe diffusion’ possibly occur at edge dislocation but does not at screw dislocation

  19. Dislocation-related trap levels in nitride-based light emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Venturi, Giulia; Castaldini, Antonio; Cavallini, Anna [Department of Physics and Astronomy, University of Bologna, Viale Berti Pichat 6/2, Bologna 40127 (Italy); Meneghini, Matteo; Zanoni, Enrico [Department of Information Engineering, University of Padova, via Gradenigo 6/B, Padova 35131 (Italy); Zhu, Dandan; Humphreys, Colin [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom)

    2014-05-26

    Deep level transient spectroscopy was performed on InGaN/GaN multiple quantum well light emitting diodes (LEDs) in order to determine the effect of the dislocation density on the deep intragap electronic levels. The LEDs were grown by metalorganic vapor phase epitaxy on GaN templates with a high dislocation density of 8 × 10{sup 9} cm{sup −2} and a low dislocation density of 3 × 10{sup 8} cm{sup −2}. Three trapping levels for electrons were revealed, named A, A1, and B, with energies E{sub A} ≈ 0.04 eV, E{sub A1} ≈ 0.13 eV, and E{sub B} ≈ 0.54 eV, respectively. The trapping level A has a much higher concentration in the LEDs grown on the template with a high density of dislocations. The logarithmic dependence of the peak amplitude on the bias pulse width for traps A and A1 identifies the defects responsible for these traps as associated with linearly arranged defects. We conclude that traps A and A1 are dislocation-related intragap energy levels.

  20. Dislocation-related trap levels in nitride-based light emitting diodes

    International Nuclear Information System (INIS)

    Venturi, Giulia; Castaldini, Antonio; Cavallini, Anna; Meneghini, Matteo; Zanoni, Enrico; Zhu, Dandan; Humphreys, Colin

    2014-01-01

    Deep level transient spectroscopy was performed on InGaN/GaN multiple quantum well light emitting diodes (LEDs) in order to determine the effect of the dislocation density on the deep intragap electronic levels. The LEDs were grown by metalorganic vapor phase epitaxy on GaN templates with a high dislocation density of 8 × 10 9 cm −2 and a low dislocation density of 3 × 10 8 cm −2 . Three trapping levels for electrons were revealed, named A, A1, and B, with energies E A  ≈ 0.04 eV, E A1  ≈ 0.13 eV, and E B  ≈ 0.54 eV, respectively. The trapping level A has a much higher concentration in the LEDs grown on the template with a high density of dislocations. The logarithmic dependence of the peak amplitude on the bias pulse width for traps A and A1 identifies the defects responsible for these traps as associated with linearly arranged defects. We conclude that traps A and A1 are dislocation-related intragap energy levels.

  1. Formation of disorientations in dislocation structures during plastic deformation

    DEFF Research Database (Denmark)

    Pantleon, W.

    2002-01-01

    Disorientations developing during plastic deformation in dislocation structures are investigated. Based on expected mechanisms for the formation of different types of dislocation boundaries (statistical trapping of dislocations or differently activated slip systems) the formation of the disorient...

  2. Hybrid dislocated control and general hybrid projective dislocated synchronization for the modified Lue chaotic system

    International Nuclear Information System (INIS)

    Xu Yuhua; Zhou Wuneng; Fang Jianan

    2009-01-01

    This paper introduces a modified Lue chaotic system, and some basic dynamical properties are studied. Based on these properties, we present hybrid dislocated control method for stabilizing chaos to unstable equilibrium and limit cycle. In addition, based on the Lyapunov stability theorem, general hybrid projective dislocated synchronization (GHPDS) is proposed, which includes complete dislocated synchronization, dislocated anti-synchronization and projective dislocated synchronization as its special item. The drive and response systems discussed in this paper can be strictly different dynamical systems (including different dimensional systems). As examples, the modified Lue chaotic system, Chen chaotic system and hyperchaotic Chen system are discussed. Numerical simulations are given to show the effectiveness of these methods.

  3. Hybrid dislocated control and general hybrid projective dislocated synchronization for the modified Lue chaotic system

    Energy Technology Data Exchange (ETDEWEB)

    Xu Yuhua [College of Information Science and Technology, Donghua University, Shanghai 201620 (China) and Department of Maths, Yunyang Teacher' s College, Hubei 442000 (China)], E-mail: yuhuaxu2004@163.com; Zhou Wuneng [College of Information Science and Technology, Donghua University, Shanghai 201620 (China)], E-mail: wnzhou@163.com; Fang Jianan [College of Information Science and Technology, Donghua University, Shanghai 201620 (China)

    2009-11-15

    This paper introduces a modified Lue chaotic system, and some basic dynamical properties are studied. Based on these properties, we present hybrid dislocated control method for stabilizing chaos to unstable equilibrium and limit cycle. In addition, based on the Lyapunov stability theorem, general hybrid projective dislocated synchronization (GHPDS) is proposed, which includes complete dislocated synchronization, dislocated anti-synchronization and projective dislocated synchronization as its special item. The drive and response systems discussed in this paper can be strictly different dynamical systems (including different dimensional systems). As examples, the modified Lue chaotic system, Chen chaotic system and hyperchaotic Chen system are discussed. Numerical simulations are given to show the effectiveness of these methods.

  4. An analysis of the impact of native oxide, surface contamination and material density on total electron yield in the absence of surface charging effects

    Energy Technology Data Exchange (ETDEWEB)

    Iida, Susumu, E-mail: susumu.iida@toshiba.co.jp [EUVL Infrastructure Development Center, Inc., 16-1 Onogawa, Tsukuba-shi, Ibaraki-ken, 305-8569 (Japan); Ohya, Kaoru [Institute of Technology and Science, The University of Tokushima, 2-1 Minamijyousanjima-cho,Tokushima, 770-8506 (Japan); Hirano, Ryoichi; Watanabe, Hidehiro [EUVL Infrastructure Development Center, Inc., 16-1 Onogawa, Tsukuba-shi, Ibaraki-ken, 305-8569 (Japan)

    2016-10-30

    Highlights: • Total electron yields were assessed in the absence of any surface charging effect. • Experimental and simulation results showed a low native oxide energy barrier. • The yield enhancement effect of a native oxide layer was confirmed. • The yield enhancement effect of a thin surface contamination layer was confirmed. • Deviations in the material density from the theoretical values were evaluated. - Abstract: The effects of the presence of a native oxide film or surface contamination as well as variations in material density on the total electron yield (TEY) of Ru and B{sub 4}C were assessed in the absence of any surface charging effect. The experimental results were analyzed using semi-empirical Monte Carlo simulations and demonstrated that a native oxide film increased the TEY, and that this effect varied with film thickness. These phenomena were explained based on the effect of the backscattered electrons (BSEs) at the interface between Ru and RuO{sub 2}, as well as the lower potential barrier of RuO{sub 2}. Deviations in the material density from the theoretical values were attributed to the film deposition procedure based on fitting simulated TEY curves to experimental results. In the case of B{sub 4}C, the TEY was enhanced by the presence of a 0.8-nm-thick surface contamination film consisting of oxygenated hydrocarbons. The effect of the low potential barrier of the contamination film was found to be significant, as the density of the B{sub 4}C was much lower than that of the Ru. Comparing the simulation parameters generated in the present work with Joy’s database, it was found that the model and the input parameters used in the simulations were sufficiently accurate.

  5. Charged plate in asymmetric electrolytes: One-loop renormalization of surface charge density and Debye length due to ionic correlations.

    Science.gov (United States)

    Ding, Mingnan; Lu, Bing-Sui; Xing, Xiangjun

    2016-10-01

    Self-consistent field theory (SCFT) is used to study the mean potential near a charged plate inside a m:-n electrolyte. A perturbation series is developed in terms of g=4πκb, where band1/κ are Bjerrum length and bare Debye length, respectively. To the zeroth order, we obtain the nonlinear Poisson-Boltzmann theory. For asymmetric electrolytes (m≠n), the first order (one-loop) correction to mean potential contains a secular term, which indicates the breakdown of the regular perturbation method. Using a renormalizaton group transformation, we remove the secular term and obtain a globally well-behaved one-loop approximation with a renormalized Debye length and a renormalized surface charge density. Furthermore, we find that if the counterions are multivalent, the surface charge density is renormalized substantially downwards and may undergo a change of sign, if the bare surface charge density is sufficiently large. Our results agrees with large MC simulation even when the density of electrolytes is relatively high.

  6. Molecular dynamics simulation of edge dislocation piled at cuboidal precipitate in Ni-based superalloy

    International Nuclear Information System (INIS)

    Yashiro, Kisaragi; Naito, Masato; Tomita, Yoshihiro

    2003-01-01

    In order to clarify the fundamental mechanism of dislocations in the γ/γ' microstructure of Ni-based superalloy, three molecular dynamics simulations are conducted on the behavior of edge dislocations nucleated from a free surface and proceeding in the pure Ni matrix (γ) toward cuboidal Ni 3 Al precipitates (γ') under shear force. One involves dislocations near the apices of two precipitates adjoining each other with the distance of 0.04 μm, as large as the width of the γ channel in real superalloys. Others simulate dislocations piled at the precipitates as well, however, the scale of the microstructure is smaller than that in real superalloys by one order of magnitude, and one of them have precipitates with atomistically sharp edge. Dislocations are pinned at precipitates and bowed-out in the γ channel, then they begin to penetrate into the precipitate at the edge in both the real-scale and smaller microstructures when the precipitates have blunt edges. On the other hand, an edge dislocation splits into a superpartial in the γ' precipitate and a misfit screw dislocation bridging between two adjacent precipitates at the atomistically sharp edge of γ' precipitates. It is also observed that two superpartials glide in the precipitate as a superdislocation with anti-phase boundary (APB), of which the width is evaluated to be about 4 nm. (author)

  7. Near surface bulk density estimates of NEAs from radar observations and permittivity measurements of powdered geologic material

    Science.gov (United States)

    Hickson, Dylan; Boivin, Alexandre; Daly, Michael G.; Ghent, Rebecca; Nolan, Michael C.; Tait, Kimberly; Cunje, Alister; Tsai, Chun An

    2018-05-01

    The variations in near-surface properties and regolith structure of asteroids are currently not well constrained by remote sensing techniques. Radar is a useful tool for such determinations of Near-Earth Asteroids (NEAs) as the power of the reflected signal from the surface is dependent on the bulk density, ρbd, and dielectric permittivity. In this study, high precision complex permittivity measurements of powdered aluminum oxide and dunite samples are used to characterize the change in the real part of the permittivity with the bulk density of the sample. In this work, we use silica aerogel for the first time to increase the void space in the samples (and decrease the bulk density) without significantly altering the electrical properties. We fit various mixing equations to the experimental results. The Looyenga-Landau-Lifshitz mixing formula has the best fit and the Lichtenecker mixing formula, which is typically used to approximate planetary regolith, does not model the results well. We find that the Looyenga-Landau-Lifshitz formula adequately matches Lunar regolith permittivity measurements, and we incorporate it into an existing model for obtaining asteroid regolith bulk density from radar returns which is then used to estimate the bulk density in the near surface of NEA's (101955) Bennu and (25143) Itokawa. Constraints on the material properties appropriate for either asteroid give average estimates of ρbd = 1.27 ± 0.33g/cm3 for Bennu and ρbd = 1.68 ± 0.53g/cm3 for Itokawa. We conclude that our data suggest that the Looyenga-Landau-Lifshitz mixing model, in tandem with an appropriate radar scattering model, is the best method for estimating bulk densities of regoliths from radar observations of airless bodies.

  8. Dislocation morphology in deformed and irradiated niobium

    International Nuclear Information System (INIS)

    Chang, C.P.

    1977-06-01

    Niobium foils of moderate purity were examined for the morphology of dislocations or defect clusters in the deformed or neutron-irradiated state by transmission electron microscopy. New evidence has been found for the dissociation of screw dislocations into partials on the (211) slip plane according to the Crussard mechanism: (a/2) [111] → (a/3) [111] + (a/6) [111

  9. Palmar dislocation of scaphoid and lunate

    Directory of Open Access Journals (Sweden)

    Khalid Koulali Idrissi

    2011-11-01

    Full Text Available A palmar dislocation of scaphoid and lunate is uncommon. We have found only 19 reported cases in the literature. We reported a simultaneous, divergent dislocation. The closed reduction followed by percutaneous pinning has given a good result without avascular necrosis of any carpal bone.

  10. Interactions between Dislocations and Grain Boundaries

    NARCIS (Netherlands)

    Soer, Wouter Anthon

    2006-01-01

    Dislocations (line defects) and grain boundaries (planar defects) are two types of lattice defects that are crucial to the deformation behavior of metals. Permanent deformation of a crystalline material is microscopically associated with the nucleation and propagation of dislocations, and extensive

  11. Outcrop-scale fracture trace identification using surface roughness derived from a high-density point cloud

    Science.gov (United States)

    Okyay, U.; Glennie, C. L.; Khan, S.

    2017-12-01

    Owing to the advent of terrestrial laser scanners (TLS), high-density point cloud data has become increasingly available to the geoscience research community. Research groups have started producing their own point clouds for various applications, gradually shifting their emphasis from obtaining the data towards extracting more and meaningful information from the point clouds. Extracting fracture properties from three-dimensional data in a (semi-)automated manner has been an active area of research in geosciences. Several studies have developed various processing algorithms for extracting only planar surfaces. In comparison, (semi-)automated identification of fracture traces at the outcrop scale, which could be used for mapping fracture distribution have not been investigated frequently. Understanding the spatial distribution and configuration of natural fractures is of particular importance, as they directly influence fluid-flow through the host rock. Surface roughness, typically defined as the deviation of a natural surface from a reference datum, has become an important metric in geoscience research, especially with the increasing density and accuracy of point clouds. In the study presented herein, a surface roughness model was employed to identify fracture traces and their distribution on an ophiolite outcrop in Oman. Surface roughness calculations were performed using orthogonal distance regression over various grid intervals. The results demonstrated that surface roughness could identify outcrop-scale fracture traces from which fracture distribution and density maps can be generated. However, considering outcrop conditions and properties and the purpose of the application, the definition of an adequate grid interval for surface roughness model and selection of threshold values for distribution maps are not straightforward and require user intervention and interpretation.

  12. Density functional study of TaSin (n = 1-3, 12) clusters adsorbed to graphene surface

    International Nuclear Information System (INIS)

    Guo Ping; Zheng Lin; Zheng Jiming; Zhang Ruizhi; Yang Luna; Ren, Zhaoyu

    2011-01-01

    A plane-wave density functional theory (DFT) calculations have been performed to investigate structural and electronic properties of TaSi n (n = 1-3, 12) clusters supported by graphene surface. The resulting adsorption structures are described and discussed in terms of stability, bonding, and electron transfer between the cluster and the graphene. The TaSi n clusters on graphene surface favor their free-standing ground-state structures. Especially in the cases of the linear TaSi 2 and the planar TaSi 3 , the graphene surface may catalyze the transition of the TaSi n clusters from an isomer of lower dimensionality into the ground-state structure. The adsorption site and configuration of TaSi n on graphene surface are dominated by the interaction between Ta atom and graphene. Ta atom prefers to adsorb on the hollow site of graphene, and Si atoms tend to locate on the bridge site. Further, the electron transfer is found to proceed from the cluster to the surface for n = 1 and 2, while its direction reverses as n > 2. For the case of TaSi, chemisorption is shown to prevail over physisorption as the dominant mode of surface-adsorbate interaction by charge density analysis.

  13. Poloidal density variation of impurities in a rotating tokamak plasma - flux surface coordinates and effect on transport coefficients

    International Nuclear Information System (INIS)

    Romanelli, M.

    1999-09-01

    The poloidal variation of impurity densities over magnetic surfaces brings about an enhancement of neoclassical transport coefficients, as shown by Romanelli and Ottaviani for impurities in the Pfirsch Schlueter regime and by Helander for particles in the banana-plateau regime, both in a large aspect ratio tokamak. The same effect will occur in a finite aspect ratio tokamak and therefore it is considered to be relevant for inclusion in transport codes for comparison with the experimental measurements of impurity transport. Here an expression for the impurity-density poloidal-variation generated by the fast toroidal rotation of the plasma column is presented in general coordinates. (author)

  14. Effects of dislocations on polycrystal anelasticity

    Science.gov (United States)

    Sasaki, Y.; Takei, Y.; McCarthy, C.; Suzuki, A.

    2017-12-01

    Effects of dislocations on the seismic velocity and attenuation have been poorly understood, because only a few experimental studies have been performed [Guéguen et al., 1989; Farla et al., 2012]. By using organic borneol as a rock analogue, we measured dislocation-induced anelasticity accurately over a broad frequency range. We first measured the flow law of borneol aggregates by uniaxial compression tests under a confining pressure of 0.8 MPa. A transition from diffusion creep (n = 1) to dislocation creep (n = 5) was captured at about σ = 1 MPa (40°C-50°C). After deforming in the dislocation creep regime, sample microstructure showed irregular grain shape consistent with grain boundary migration. Next, we conducted three creep tests at σ = 0.27 MPa (diffusion creep regime), σ = 1.3 MPa and σ = 1.9 MPa (dislocation creep regime) on the same sample in increasing order, and measured Young's modulus E and attenuation Q-1 after each creep test by forced oscillation tests. The results show that as σ increased, E decreased and Q-1 increased. These changes induced by dislocations, however, almost fully recovered during the forced oscillation tests performed for about two weeks under a small stress (σ = 0.27 MPa) due to the dislocation recovery (annihilation). In order to constrain the time scale of the dislocation-induced anelastic relaxation, we further measured Young's modulus E at ultrasonic frequency before and after the dislocation creep and found that E at 106 Hz is not influenced by dislocations. Because E at 100 Hz is reduced by dislocations by 10%, the dislocation-induced anelastic relaxation occurs mostly between 102-106 Hz which is at a higher frequency than grain-boundary-induced anelasticity. To avoid dislocation recovery during the anelasticity measurement, we are now trying to perform an in-situ measurement of anelasticity while simultaneously deforming under a high stress associated with dislocation creep. The combination of persistent creep

  15. Dissociated dislocations in Ni: a computational study

    International Nuclear Information System (INIS)

    Szelestey, P.; Patriarca, M.; Kaski, K.

    2005-01-01

    A systematic computational study of the behavior of a (1/2) dissociated screw dislocation in fcc nickel is presented, in which atomic interactions are described through an embedded-atom potential. A suitable external stress is applied on the system, both for modifying the equilibrium separation distance d and moving the dislocation complex. The structure of the dislocation and its corresponding changes during the motion are studied in the framework of the two-dimensional Peierls model, for different values of the ratio d/a', where a' is the period of the Peierls potential. The distance between the edge and screw components of the partials, as well as their widths, undergo a modulation with period a', as the dislocation moves, and the amplitudes of such oscillations are shown to depend on d/a'. The stress profile acting on the dislocation complex is analyzed and the effective Peierls stress is estimated for different values of d/a'

  16. Dynamic aspects of dislocation motion: atomistic simulations

    International Nuclear Information System (INIS)

    Bitzek, Erik; Gumbsch, Peter

    2005-01-01

    Atomistic simulations of accelerating edge and screw dislocations were carried out to study the dynamics of dislocations in a face centered cubic metal. Using two different embedded atom potentials for nickel and a simple slab geometry, the Peierls stress, the effective mass, the line tension and the drag coefficient were determined. A dislocation intersecting an array of voids is used to study dynamic effects in dislocation-obstacle interactions. A pronounced effect caused by inertial overshooting is found. A dynamic line tension model is developed which reproduces the simulation results. The model can be used to easily estimate the magnitude of inertial effects in the interaction of dislocations with localized obstacles for different obstacle strengths, -spacings and temperatures

  17. Rules for Forest Interactions between Dislocations

    International Nuclear Information System (INIS)

    Wickham, L. K.; Schwarz, K. W.; Stoelken, J. S.

    1999-01-01

    The dynamical interactions of dislocations existing on intersecting glide planes have been investigated using numerical simulations based on isotropic linear elastic theory. It is found that such dislocations either repel, attract and form growing junctions, or attract and form bound crossed states. Which of these occurs can be predicted from a surprisingly simple analysis of the initial configurations. The outcome is determined primarily by the angles which the dislocations initially make with the glide-plane intersection edge, and is largely independent of the initial distance between the dislocations, their initial curvature, or ambient applied stresses. The results provide a rule for dealing with forest interactions within the context of large multiple-dislocation computations. (c) 1999 The American Physical Society

  18. Internal stresses, dislocation mobility and ductility

    Science.gov (United States)

    Saada, G.

    1991-06-01

    The description of plastic deformation must take into account individual mechanisms and heterogeneity of plastic strain. Influence of dislocation interaction with forest dislocations and of cross slip are connected with the organization of dipole walls. The latter are described and their development is explained as a consequence of edge effects. Applications are discussed. La description de la déformation plastique doit prendre en compte les interactions individuelles des dislocations et l'hétérogénéité à grande échelle de la déformation plastique. Les interactions des dislocations mobiles avec la forêt de dislocations, le glissement dévié, ont pour effet la création de parois dipolaires. Celles-ci sont décrites et leur développement est appliqué à partir des effets de bord.

  19. Separation of density and viscosity influence on liquid-loaded surface acoustic wave devices

    Science.gov (United States)

    Herrmann, F.; Hahn, D.; Büttgenbach, S.

    1999-05-01

    Love-mode sensors are reported for separate measurement of liquid density and viscosity. They combine the general merits of Love-mode devices, e.g., ease of sensitivity adjustment and robustness, with a highly effective procedure of separate determination of liquid density and viscosity. A model is proposed to describe the frequency response of the devices to liquid loading. Moreover, design rules are given for further optimization and sensitivity enhancement.

  20. Evolution of dislocation structures following a change in loading conditions studied by in situ high resolution reciprocal space mapping

    DEFF Research Database (Denmark)

    Wejdemann, Christian

    or to a strain of 7% at a temperature of -196 ○C, and the samples were characterized by electron microscopy and mechanical tests. Transmission electron microscopy showed that the pre-deformation produced a characteristic dislocation cell structure consisting of regions with relatively high dislocation density...... the pre-deformation axis. In the X-ray diffraction experiments a technique was employed with which it is possible to obtain high-resolution reciprocal space maps from individual bulk grains. The high-resolution reciprocal space maps contain features related to the dislocation structure in the grains......: A spread-out ‘cloud’ of low intensity caused by diffraction from the dislocation walls and a number of sharp peaks of high intensity caused by diffraction from the individual subgrains. By acquiring reciprocal space maps at a number of different strain levels the evolution of the dislocation structures can...