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Osamu Kitao Ersan Demiralp Tahir Cagin Siddharth Dasgupta Masuhiro Mikami Kazutoshi Tanabe William A. Goddard III 《Computational Materials Science》1999,14(1-4):135-137
Aluminophosphate zeolite is an artificial material which shows strange hydrophilicity. We have been investigating the reason by quantum mechanics, and found that the hydrophilicity of this zeolite depended on the local geometric deformation, and speculated that the site-specific hydrophilicity might be explained by differences in the stiffness of the local deformation determined by the location with the pore structure. In order to test these ideas, we construct a reliable force field based on the new MS-Q approach developed by Demiralp, Cagin, and Goddard. Our force field well reproduces the experimental structure of VPI-5. 相似文献
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Pekmez is a traditional Turkish food made by using different fruits such as grape, mulberry, fig, apple, and sugar beet. There are two different kinds of pekmez, either liquid pekmez or solid pekmez, produced in Turkey. The stages for processing liquid pekmez for all fruits, except mulberry, include washing, sorting, crushing, pressing, and boiling. By using liquid pekmez, and solidifying and bleaching its agents solid pekmez is produced. Pekmez is a healthful food due to its nutritional content and is used as a main source of energy based on its chemical composition. The carbohydrates in pekmez are generally in the form of natural sugars like glucose and fructose, which is nutritionally important for babies, children, sportsmen, and active workers. Pekmez production and its chemical composition should be adapted to the modern food technology and food safety requirements; at the same time, this adaptation should conserve the authentic properties of the product. 相似文献
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The purpose of this study was to examine the effect of different cleaning methods and resin cements on the shear bond strength (SBS) of contaminated zirconia. A total of 92 disc-shaped zirconia specimens were contaminated with different procedures. Then, the specimens were grouped according to cleaning methods and resin cements: no cleaning + Variolink Esthetic DC (CNV), no cleaning + Panavia V5 (CNP), sandblasted + Variolink Esthetic DC (SBV), sandblasted + Panavia V5 (SBP), Ivoclean + Variolink Esthetic DC (ICV), Ivoclean + Panavia V5 (ICP), Katana Cleaner + Variolink Esthetic DC (KCV), and Katana Cleaner + Panavia V5 (KCP). Following an aging protocol in a 37°C for 1 week, SBS analysis was performed with a universal test machine. For the surface topography and elemental analysis, scanning electron microscopy and energy-dispersive X-ray spectroscopy (EDS) were used. Significance was evaluated as p < .05 and p < .01. The highest SBS results were found in the SBP group, showing a statistically significant difference from all other groups (p < .05). For the same cleaning method, Panavia V5 showed statistically significantly higher SBS values than Variolink Esthetic DC (p < .01), except the CNP–CNV (p = .880) and KCP–KCV (p = .082) groups. The most detected surface elements by EDS were Zr, O, C, and N, respectively. The contaminated zirconia surfaces must be cleaned for successful adhesion. The use of phosphate-containing adhesives in combination with sandblasting will increase the adhesion strength, and universal cleaning agents can be a good alternative to sandblasting. 相似文献
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Detection and identification of gunshot residues (GSR) have been used as base evidence in elucidating forensic cases. GSR particles consist of burnt and partially unburned material and contaminate the hands, face, hair, and clothes of the shooter when coming out of the gun. Nowadays, GSR samples are collected from the hands of the suspect and are analyzed routinely in forensic laboratories by the scanning electron microscope/energy dispersive spectroscopy (SEM/EDS) method. GSR particles are comprised of a morphological and specific structure (generally spherical and have a diameter between 0 and 100 μm [occasionally even larger]). In addition, the present studies in the field have claimed that GSR particles during formation are formed under equilibrium surface distribution and are unrelated to morphological dimensional classification. Our contribution to this study is two-folded. First, this study offers a new approach to identify images of GSR particles by computer vision gathered by SEM/EDS method from the hand of the shooter. Second, it presents open access to the SEM/EDS image data set of the analyzed GSR. During the study, a new data set consisting of 22,408 samples from three different types of MKEK (Mechanical and Chemical Industries Corporation) brand ammunition has been used. It is seen in the results that the computer vision method has been successful in the dimensional classification of GSR. 相似文献
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Emrah Adamey Abdullah Ersan Oğuz Ümit Özgüner 《Journal of Intelligent and Robotic Systems》2017,85(3-4):471-489
This work deals with the problem of the accurate task space control subject to finite-time convergence. Kinematic and dynamic equations of a rigid robotic manipulator are assumed to be uncertain. Moreover, unbounded disturbances, i.e., such structures of the modelling functions that are generally not bounded by construction, are allowed to act on the manipulator when tracking the trajectory by the end-effector. Based on suitably defined task space non-singular terminal sliding vector variable and the Lyapunov stability theory, we derive a class of absolutely continuous (chattering-free) robust controllers based on the estimation of a Jacobian transpose matrix, which seem to be effective in counteracting uncertain both kinematics and dynamics, unbounded disturbances and (possible) kinematic and/or algorithmic singularities met on the robot trajectory. The numerical simulations carried out for a 2DOF robotic manipulator with two revolute kinematic pairs and operating in a two-dimensional task space, illustrate performance of the proposed controllers. 相似文献
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The aim of this work was to enhance poly(lactic acid)'s (PLA) flexibility and ductility by blending it with another bioplastic. Poly(trimethylene malonate) (PTM), developed as part of this study, was synthesized from 1,3‐propane diol and malonic acid via melt polycondensation. Blend films of PLA and PTM were prepared by solvent casting from chloroform. Differential scanning calorimetry and thermogravimetric analysis were used to show shifted phase transitions and a single glass‐transition temperature, indicating miscibility of PTM in the blend films. Morphology and mechanical characterizations of the PLA/PTM blend films were performed by atomic force microscopy using a quantitative nanomechanical property mapping mode, tensile testing, and scanning electron microscopy. Miscible blends exhibited Young's modulus and elongation at break values that can significantly extend the usefulness of PLA in commercial applications. The blending of PTM with PLA resulted in films with a 27‐fold increase in toughness compared with neat PLA film. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014 , 131, 40888. 相似文献
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Non-wettability property makes graphite a good protecting material against the molten metal and/or slag. Properties like high oxidation potential between 600 and 1200 °C and non-wettability with water at room temperatures limits the usage of graphite in castable refractory applications. In this study, sol–gel method, which is a relatively cheaper process, was used. Boehmitic sol was obtained by hydrolyzing and peptiziting the alkoxide AIP (aluminum isopropoxide) used as alumina source. Then natural flake graphite was mixed with the boehmitic solution for coating of graphite. At 120 °C boehmitic sol coated graphite was dried and gelled. Then heat threaded at 550 °C for γ-Al2O3 transformation of boehmite. Products that obtained from the studies were characterized with FTIR and XRD tests. Alumina coated graphite samples were made by repeating the same steps and TG analysis were made to investigate the oxidation behaviour of the samples. Finally, SEM–EDS analyses were carried out to investigate the microscopic properties of the alumina coated graphite powders. 相似文献