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Articoli di riviste sul tema "Potential energy surfaces – Congresses"

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Moore, C. E., Allan Banks e H. H. Jaffe. "Potential energy surfaces". Journal of Chemical Education 64, n. 5 (maggio 1987): 395. http://dx.doi.org/10.1021/ed064p395.

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Tonge, Kenneth H. "Potential energy surfaces". Journal of Chemical Education 65, n. 1 (gennaio 1988): 65. http://dx.doi.org/10.1021/ed065p65.

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Gale, J. "Potential Energy Surfaces". EPJ Web of Conferences 14 (2011): 02002. http://dx.doi.org/10.1051/epjconf/20111402002.

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Wu, Yudong, Jeffrey D. Schmitt e Roberto Car. "Mapping potential energy surfaces". Journal of Chemical Physics 121, n. 3 (15 luglio 2004): 1193–200. http://dx.doi.org/10.1063/1.1765651.

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Jo/rgensen, Solvejg, Mark A. Ratner e Kurt V. Mikkelsen. "Potential energy surfaces of image potential states". Journal of Chemical Physics 114, n. 8 (22 febbraio 2001): 3790–99. http://dx.doi.org/10.1063/1.1342860.

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Topaler, Maria S., Donald G. Truhlar, Xiao Yan Chang, Piotr Piecuch e John C. Polanyi. "Potential energy surfaces of NaFH". Journal of Chemical Physics 108, n. 13 (aprile 1998): 5349–77. http://dx.doi.org/10.1063/1.475344.

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Qu, Chen, Qi Yu e Joel M. Bowman. "Permutationally Invariant Potential Energy Surfaces". Annual Review of Physical Chemistry 69, n. 1 (20 aprile 2018): 151–75. http://dx.doi.org/10.1146/annurev-physchem-050317-021139.

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Fernández, Ariel. "Homology of Potential Energy Surfaces". Zeitschrift für Naturforschung A 41, n. 9 (1 settembre 1986): 1118–22. http://dx.doi.org/10.1515/zna-1986-0905.

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It is shown that all the adjacency relations for the basins of attraction of stable chemical species and transition states can be derived from the topology of the pattern of intrinsic-reaction-coordinate- and-separatix trajectories in the nuclear configuration space.The results are applied to thermal [1,3] sigmatropic rearrangements and they show that even the symmetry-forbidden path proceeds concertedly. The corresponding homological formulas giving the adjacency relations are derived.
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Fernandez, G. M., J. A. Sordo e T. L. Sordo. "Analysis of potential energy surfaces". Journal of Chemical Education 65, n. 8 (agosto 1988): 665. http://dx.doi.org/10.1021/ed065p665.

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Tan, Hang, Muzhen Liao e K. Balasubramanian. "Potential energy surfaces of RuCO". Chemical Physics Letters 284, n. 1-2 (febbraio 1998): 1–5. http://dx.doi.org/10.1016/s0009-2614(97)01370-5.

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Tesi sul tema "Potential energy surfaces – Congresses"

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Maslen, Paul E. "Anharmonic potential energy surfaces". Thesis, University of Cambridge, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.240073.

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Mort, Steven P. "Potential energy surfaces for SiH←2+". Thesis, University of Bristol, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.240482.

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Bholoa, Ajeevsing. "Potential energy surfaces using neural networks". Thesis, Loughborough University, 2006. https://dspace.lboro.ac.uk/2134/35257.

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A neural network is developed to fit a potential energy surface of silicon derived from Frauenheim tight-binding data for silicon. The tight-binding method retains the essentials of quantum mechanics for electronic structure calculations but is faster to calculate than a full ab initio model. The development of the neural network potential energy surface was carried out by a progressive refinement of the design parameters. The refinement of the models went hand in hand with the difficulty encountered in developing a transferable network potential. Both equilibrium and non-equilibrium parts of the potential energy surface were represented in the training data set. The neural network potential was fitted on dimers, linear and angled trimers, tetramers, diamond structures, distorted diamond lattice systems, and the BC8, ST12, BCT5 and β-tin structures.
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Merritt, Jeremy Miles Baer Tomas. "Spectroscopic probes of reactive potential energy surfaces". Chapel Hill, N.C. : University of North Carolina at Chapel Hill, 2006. http://dc.lib.unc.edu/u?/etd,385.

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Thesis (Ph. D.)--University of North Carolina at Chapel Hill, 2006.
Title from electronic title page (viewed Oct. 10, 2007). "... in partial fulfillment of the requirements for the degree of Doctor of Philosophy in the Department of Chemistry." Discipline: Chemistry; Department/School: Chemistry.
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Rempe, Susan Lynne Beamis. "Potential energy surfaces for vibrating hexatomic molecules /". Thesis, Connect to this title online; UW restricted, 1998. http://hdl.handle.net/1773/8536.

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Howson, Joanna M. M. "Obtaining potential energy surfaces of Van der Waals molecules". Thesis, Durham University, 1999. http://etheses.dur.ac.uk/4488/.

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Two different methods were used to obtain a potential energy surface for the Arco molecule. One involved choosing a functional form for the repulsion and dispersion energies whose parameters were determined by a fit to experimental data. A physically justified potential that agreed with experiment could not be obtained. The other method was based on calculating ab initio interaction energies at different configurations of the molecule and interpolating between them. The resulting surface was scaled in the energy and the co-ordinates. Improved agreement was achieved for most observed bound states. Errors in the surface may have been due to an inadequate density of ab initio energies. So, how the molecular configurations chosen for interaction energy calculations affected the potential obtained was investigated. Both the co-ordinate system and the interpolation scheme also significantly affected the quality of surface obtained. The best compromise between accuracy and number of configurations, was points distributed on a regular grid in elliptic co-ordinates with Gauss-Legendre quadrature points in the angular co-ordinate. This information was employed to obtain a potential energy surface for the weakly bound HeOCS molecule which was in close agreement with experiment. A co-ordinate and energy scaling, guided by experiment, was applied to the ab initio surface. Only three scaling parameters were required due to the high quality of the initial surface.
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Kain, Jacqueline Sophie. "Constructing ab initio and empirical potential energy surfaces for water". Thesis, University College London (University of London), 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.248404.

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Craven, W. A. "Potential energy surfaces and molecular dynamics of sulphur-oxygen systems". Thesis, University of Sussex, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.372715.

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Chen, Yizhou. "Adhesion of Spider Glue on Different Surface Energy and Surface Potential Surfaces". University of Akron / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=akron1462227997.

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Reeves, Christopher Thomas. "Kinetics and dynamics of adsorption on single crystal semiconductor and metal surfaces". Access restricted to users with UT Austin EID Full text (PDF) from UMI/Dissertation Abstracts International, 2001. http://wwwlib.umi.com/cr/utexas/fullcit?p3035962.

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Libri sul tema "Potential energy surfaces – Congresses"

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Mariapfarr Workshop in Theoretical Chemistry (1996). Potential energy surfaces: Proceedings of the Mariapfarr Workshop in Theoretical Chemistry. Berlin: Springer, 1999.

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Sax, Alexander F., a cura di. Potential Energy Surfaces. Berlin, Heidelberg: Springer Berlin Heidelberg, 1999. http://dx.doi.org/10.1007/978-3-642-46879-7.

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Hoffmann, Mark R., e Kenneth G. Dyall, a cura di. Low-Lying Potential Energy Surfaces. Washington, DC: American Chemical Society, 2002. http://dx.doi.org/10.1021/bk-2002-0828.

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Law, Mark M. Fitting molecular potential energy surfaces. Daresbury: Collaborative Computational Project on Heavy Particle Dynamics (CCP6), 1993.

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1958-, Hoffmann Mark R., Dyall Kenneth G. 1955-, American Chemical Society. Division of Physical Chemistry e American Chemical Society Meeting, a cura di. Low-lying potential energy surfaces. Washington, D.C: American Chemical Society, 2002.

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Heidrich, D., W. Kliesch e W. Quapp. Properties of Chemically Interesting Potential Energy Surfaces. Berlin, Heidelberg: Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-642-93499-5.

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Heidrich, D. Properties of chemically interesting potential energy surfaces. Berlin: Springer-Verlag, 1991.

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Wales, David J. Energy landscapes. Cambridge: Cambridge University Press, 2003.

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Abrahamsson, Erik. Atom-diatom scattering: From potential energy surfaces to rate constants. [Gothenburg]: Department of Chemistry, University of Gothenburg, 2008.

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Stallcop, James R. Ab initio potential-energy surfaces and electron-spin-exchange cross sections for H-O₂ interactions. [Washington, DC: National Aeronautics and Space Administration, 1996.

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Capitoli di libri sul tema "Potential energy surfaces – Congresses"

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Krappe, Hans J., e Krzysztof Pomorski. "Potential-Energy Surfaces". In Theory of Nuclear Fission, 21–121. Berlin, Heidelberg: Springer Berlin Heidelberg, 2012. http://dx.doi.org/10.1007/978-3-642-23515-3_2.

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Sutin, N. "Potential-Energy Surfaces". In Inorganic Reactions and Methods, 20. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470145302.ch13.

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Searles, Debra J., e Ellak I. von Nagy-Felsobuki. "Discrete Potential Energy Surfaces". In Lecture Notes in Chemistry, 40–56. Berlin, Heidelberg: Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-662-05561-8_3.

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Schatz, George C. "Fitting Potential Energy Surfaces". In Lecture Notes in Chemistry, 15–32. Berlin, Heidelberg: Springer Berlin Heidelberg, 2000. http://dx.doi.org/10.1007/978-3-642-57051-3_2.

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Mills, I. M. "Potential Energy Surfaces and Vibrational Anharmonicity". In Recent Experimental and Computational Advances in Molecular Spectroscopy, 79–98. Dordrecht: Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1974-0_5.

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Carpenter, Barry K. "Potential Energy Surfaces and Reaction Dynamics". In Reactive Intermediate Chemistry, 925–60. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2005. http://dx.doi.org/10.1002/0471721492.ch21.

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Balint-Kurti, G. G. "Potential Energy Surfaces for Chemical Reactions". In Advances in Chemical Physics, 137–83. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470143827.ch4.

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Minkin, Vladimir I., Boris Ya Simkin e Ruslan M. Minyaev. "Potential Energy Surfaces of Chemical Reactions". In Quantum Chemistry of Organic Compounds, 1–60. Berlin, Heidelberg: Springer Berlin Heidelberg, 1990. http://dx.doi.org/10.1007/978-3-642-75679-5_1.

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Collins, Michael A. "Molecular Potential Energy Surfaces by Interpolation". In Lecture Notes in Computer Science, 159–67. Berlin, Heidelberg: Springer Berlin Heidelberg, 2003. http://dx.doi.org/10.1007/3-540-44864-0_17.

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Murrell, J. N. "Accuracy and Availability of Potential Energy Surfaces". In Selectivity in Chemical Reactions, 373–77. Dordrecht: Springer Netherlands, 1988. http://dx.doi.org/10.1007/978-94-009-3047-6_21.

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Atti di convegni sul tema "Potential energy surfaces – Congresses"

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Xu, Zhongming, e Ping Huang. "Calculating Friction Force by the Variation of Potential on the Contact Surfaces During Sliding". In ASME 2005 International Mechanical Engineering Congress and Exposition. ASMEDC, 2005. http://dx.doi.org/10.1115/imece2005-80556.

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In the present paper, a method based on energy dissipation mechanism of the Independent Oscillator Model is used to calculate friction force and friction coefficient of two flat surfaces with a relative motion. The method is simplified to calculate friction work by the potential change of contact surfaces during sliding, which can be gained by a universal adhesive energy function. The results reveal the relationships between friction force and parameters of a tribo-system such as surface energy and microstructure of interfacial material. The numerical solutions of the known experimental data agree with that of Bowden’s equation, and they agree with Lantz’s experimental results carried out with an ultra high vacuum atomic-force microscope as well. It shows the method is practical.
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Bunin, I., e N. Anashkina. "High-power nanosecond electromagnetic pulses and dielectric barrier discharge in air consequences on structural and structure sensitive properties of ilmenite surface". In 8th International Congress on Energy Fluxes and Radiation Effects. Crossref, 2022. http://dx.doi.org/10.56761/efre2022.c3-p-004001.

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The paper presents the results of experimental studies on the influence of two types of nonequilibrium electrical discharges (high-power nanosecond electromagnetic pulse (HPEMP) and dielectric barrier discharges (DBD) in air at atmospheric pressure) have on the surface morphology, microhardness, and physicochemical properties of natural ilmenite (Juina deposit of Brazil). Scanning electron microscopy (SEM-EDX), Fourier-transform infrared spectroscopy (FTIR), microhardness testing, contact angles of surface wetting, and streaming potentials are used to examine the morphology, defects, chemical composition of ilmenite surfaces, and its structure sensitive properties. Using FTIR, we established, the following possible mechanisms of the nonthermal effect of HPEMP and DBD low temperature plasma irradiation, which modify the structural state of ilmenite surfaces: (i) the transformation (destruction) of the mineral’s crystalline structure; (ii) the electrical disintegration and removal of fine films of iron oxides (hydroxides) from the ilmenite surfaces, and (iii) the subsequent hydroxylation and/or oxidation of Fe2+ to Fe3+ iron ions on the surfaces, due to the effect of the products of microdischarge plasmas. Advantages of using brief energy treatments (ttreat = 10–30 s) to modify the structural-chemical state of ilmenite surfaces and the physicochemical properties of mineral in order to improve the efficiency of processing complex titanium ores are shown. Keywords: ilmenite, high-power nanosecond electromagnetic pulses, dielectric barrier discharge, surface, microscopy, spectroscopy, microhardness, electrokinetic potential, contact angle.
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Baek, Kyung-Lok, e Sang-Beom Shin. "Predictive Method of Initial Shapes for Doubly Curved Ship Hull Plates by the Minimum Potential Energy Method". In ASME 2008 International Mechanical Engineering Congress and Exposition. ASMEDC, 2008. http://dx.doi.org/10.1115/imece2008-67162.

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The purpose of this study is to design the initial shape of doubly curved hull surfaces. In this paper, the development method of the hull surfaces was suggested by minimizing potential energy between initial and final shapes. In order to do this, the values of strains and stresses were defined through finite element analysis and genetic algorithm was used to estimate the initial shape which is the state of minimum potential energy. Validity of the prediction method was verified by comparing the estimated contour lengths with those obtained by the commercial software for sheet metal forming. It was founded that the established prediction method using genetic algorithms would enable to determine the initial contour of the doubly curved surfaces with maximum deviation of 0.7%.
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Xue, Qunji, Bo Yu, Feng Zhou, Ping Gao, Yongmin Liang e Weimin Liu. "Ionic Liquid Thin Films: Potential Solution to Lubricate Miniaturized Devices". In World Tribology Congress III. ASMEDC, 2005. http://dx.doi.org/10.1115/wtc2005-63441.

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The tribological properties of ultra-thin ionic liquid films (IL films) were evaluated using a Universal Micro-tribometer-2MT tester. The morphologies of the wear tracks of the films and the counterpart surfaces were examined using a JEM-1200EX scanning electron microscope (SEM) equipped with a Kevex energy dispersive X-ray analyzer (EDXA) attachment. It was found that the tribological performances of IL films were closely related to the chemical characteristics of the substrate surfaces. The films of vinyl group functionalized ionic liquids on hydroxylated substrate and vinyl group modified substrate exhibited very good friction-reduction and wear-resistant properties. IL films can be a potential solution to the lubrication of miniaturized devices.
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Cipollone, Roberto, Giuseppe Bianchi e Giulio Contaldi. "Sliding Vane Rotary Compressor Energy Optimization". In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-85955.

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The reduction of the electrical energy for producing compressed air gives an important contribution to the overall energy saving in the industrial context. Among the different technologies, Sliding Vane Rotary Compressors (SVRC) demonstrate unforeseen potential in terms of energy saving due to some intrinsic features specifically related to this machine. One of the most important contribution is given by cooling the air during compression; this could be achieved by a proper oil injection conceived for this purpose. A mathematical model describing the oil injection process is presented in this paper. It considers the main parameters which describe the spray formation, its penetration inside the cell till to the intersection with metallic surfaces and the resulting air cooling. The influence of the most important design and operating injection parameters have been checked on the model and design rules are outlined in order to produce an oil injection potentially able to reduce mechanical work.
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Fialkova, Svitlana, Honglin Zhang, Zhigang Xu e Jagannathan Sankar. "Effect of Sample Preparation on Volta Potential Measurements of Plastically Deformed Mg-Al Alloys". In ASME 2019 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/imece2019-11783.

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Abstract The low corrosion resistance of Mg alloys is the major challenge that slows down the actual application of these lightweight materials. Magnesium has a more negative standard reduction potential than common alloying elements — aluminum and zinc. The formation of local galvanic couples was reported in AZ31-AZ91 alloys due to precipitation of secondary phases, and it was suggested that these galvanic couples provided initiation sites for localized pitting corrosion. Scanning Kelvin probe force microscopy (SKPFM) technique is a precise tool to study the Volta potential distribution on surfaces. Since the lateral resolution of SKPFM maps can reach several nanometers, the technique can be used to detect the deformation-induced formation of nano-particles and phases nucleates. However, the precision of the measurements is affected by several factors: tip-sample distance, humidity, the roughness of the surface and tip characteristics, i.e. tip radius, conductivity, and stiffness. Taking into account that magnesium surface is commonly covered by the self-forming oxide layer, which is reducing electrical sensitivity of the tip, the sample preparation and handling can be considered the major factor that affects the quality of measurements by SKPFM. The aim of our work was to investigate different alternative sample preparation methods for SKPFM and to compare the results (Volta potential maps and topography) with the optical, Scanning Electron Microscopy and Energy Dispersive Spectroscopy maps. The samples were prepared by mechanical polishing, mechanical polishing followed by chemical etching and mechanical polishing followed by ion-milling. For our study, we used a laboratory hot-rolled magnesium-aluminum alloy samples and analysis were focused on typical metallurgical features: surface topography, intermetallic nano-particules and phases nucleates, grain boundary precipitates and grain boundaries.
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Ozkan, Altan, e Halil Berberoglu. "Adhesion of Chlorella vulgaris on Hydrophilic and Hydrophobic Surfaces". In ASME 2011 International Mechanical Engineering Congress and Exposition. ASMEDC, 2011. http://dx.doi.org/10.1115/imece2011-64133.

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This experimental study reports the adhesion rate and adhesion density of Chlorella vulgaris on hydrophilic glass, and hydrophobic indium tin oxide (ITO) surfaces at constant shear rate. Cultivation of algae as biofilms offers an energy and water efficient method for algal biofuel production. In order to design algal biofilm cultivation systems, algal adhesion and biofilm formation on substrates with different surface properties must be known. To assess this, a parallel plate flow chamber was used to quantify the adhesion rate of the commonly used algae Chlorella vulgaris to the surfaces under controlled shear rates. The contact angle and zeta potential measurements were made both for the algal cells and the adhesion surfaces to model adhesion. The experimental results were compared with the predictions of the Derjaguin, Landau, Verwey, Overbeek (DLVO), extended DLVO (XDLVO) theories, and the thermodynamic model. The experiments showed that the rate of adhesion over the hydrophobic surface was 81 cells mm−2min−1 which was 3 times larger than that of the hydrophilic surface for the first forty minutes of the adhesion experiments. Moreover, the final adhesion density over the hydrophobic surface was 6182 mm−2 after an experimental duration of 320 minutes which was 2.7 times that of the hydrophilic surface. Detachment studies done with increased shear rates showed that the adhesion strength of algae was also higher over the hydrophobic surface. The experimental results fit best with the results from the XDLVO theory. However, the model was inaccurate in predicting high detachment rate from the hydrophilic surface with increased shear rates. Results show the importance of surface material selection for the initial adhesion of cells. These results can be used for selection and design of surface materials for optimizing initial adhesion of algae cells in algal biofilm photobioreactors. Furthermore, the results can also be used for the design of planktonic photobioreactors to avoid biofouling.
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Srinivas, Mullahalli V., e George J. Dvorak. "Energy Released by Interfacial Decohesion in a Two-Phase Composite System". In ASME 1998 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 1998. http://dx.doi.org/10.1115/imece1998-0356.

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Abstract Under service loads or during fabrication and processing, certain fibrous composite plies may experience extensive decohesion, such as debonding and sliding at fiber-matrix interfaces. The effect of some of these damage processes on overall stiffness and on internal stress redistribution is analyzed here with the Transformation Field Analysis method (Dvorak and Benveniste, 1992, Proc. R. Soc., London, Vol. A437, p. 291), which simulates creation of new internal surfaces by equivalent eigenstrains applied to an undamaged elastic system. Simple expressions for change in potential energy of the damaged ply are also obtained using the Colonetti’s theorem. The analytical results are shown to be in good agreement with selected finite element solutions for unit cells. Applications indicate that the energy released by fiber debonding depends linearly on fiber radius.
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Bahukudumbi, P., Michael A. Bevan e Ali Beskok. "Self and Directed Colloidal Assembly on Patterned Electrodes". In ASME 2005 International Mechanical Engineering Congress and Exposition. ASMEDC, 2005. http://dx.doi.org/10.1115/imece2005-80628.

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Clustering of colloidal particles near an electrode surface during and after electrophoretic deposition has been reported in the literature [1, 2, 3, 4]. The aggregation of colloidal particles has made the precise assembly of two and three dimensional colloidal crystals possible. In this paper, we demonstrate the use of external electric fields to sensitively tune the interactions between colloidal particles to form ordered structures. The directed assembly of colloidal particles on patterned electrode surfaces is also investigated as a means of building three-dimensional nanostructures. Finally, a new method to map potential energy landscapes of templated substrates using a diffusing colloidal particle as a sensitive local energy probe is described.
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Pang, Junru, Hong Guo, Juan Manuel Vázquez Martínez, Jorge Salguero e Patricia Iglesias Victoria. "The Evaluation of Tribological Performance of Laser Micro-Texturing Ti6Al4V Under Lubrication With Protic Ionic Liquid". In ASME 2021 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2021. http://dx.doi.org/10.1115/imece2021-69155.

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Abstract Laser micro-texturing treatment has been proved as an efficient way to improve tribological properties of metal alloys. Meanwhile, ionic liquids also show great potential as novel lubricant additives to increase the durability of contacting components and decrease the energy loss during tribological process. This study investigated the influence of the laser micro texturing surfaces on the tribological performance of titanium alloy Ti6Al4V under different lubricant conditions. In this research, two sets of dimple-textured surfaces created by different laser parameters, energy density and area density, were fabricated on Ti6Al4V. Polyalphaolefin (PAO) 40 and 1 wt.% 2-hydroxyethylammonium 2-ethylhexanoate (Eet) used as additive to PAO 40 were designed as lubricants during the sliding tests. First, the geometrical properties of laser micro-textures on the surfaces were characterized. The wetting behaviors of different lubricants on textured surfaces were then examined based on contact angle measurement. All the frictional tests were carried out on the ball-on-flat reciprocating tribometer under the same working conditions. Lastly, the surface morphology of the wear tracks on Ti6Al4V and tungsten carbide balls and their wear mechanisms were evaluated by using the optical microscope, scanning electron microscope, and energy-dispersive X-ray spectroscopy. The results exhibit the laser micro-textures have a positive effect on improving the tribological performance of Ti6Al4V. Meanwhile, the use of Eet as the lubricant additive to PAO 40 can facilitate the formation of the tribo-layer, which enhances the tribological behavior of laser micro-texturing Ti6Al4V surfaces.
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Rapporti di organizzazioni sul tema "Potential energy surfaces – Congresses"

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Schafer, H. F. Potential energy surfaces for chemical reactions. Office of Scientific and Technical Information (OSTI), giugno 1990. http://dx.doi.org/10.2172/6286337.

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Gordon, Mark S. Potential Energy Surfaces and Dynamics of High Energy Materials. Fort Belvoir, VA: Defense Technical Information Center, febbraio 2002. http://dx.doi.org/10.21236/ada399098.

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Gordon, Mark S. Potential Energy Surfaces and Dynamics of High Energy Materials. Fort Belvoir, VA: Defense Technical Information Center, agosto 2005. http://dx.doi.org/10.21236/ada444847.

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Gordon, Mark S. Potential Energy Surfaces and Dynamics for High Energy Species. Fort Belvoir, VA: Defense Technical Information Center, marzo 2000. http://dx.doi.org/10.21236/ada376093.

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Gordon, Mark S. Potential Energy Surfaces and Dynamics of High Energy Species. Fort Belvoir, VA: Defense Technical Information Center, aprile 2009. http://dx.doi.org/10.21236/ada589687.

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Chang, Yan-Tyng. Potential energy surfaces and reaction dynamics of polyatomic molecules. Office of Scientific and Technical Information (OSTI), novembre 1991. http://dx.doi.org/10.2172/5926228.

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Chang, Yan-Tyng. Potential energy surfaces and reaction dynamics of polyatomic molecules. Office of Scientific and Technical Information (OSTI), novembre 1991. http://dx.doi.org/10.2172/10124759.

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Nicolaides, C. A. Potential Energy Surfaces and Stability of High Energy Content Excited Bound Clusters. Fort Belvoir, VA: Defense Technical Information Center, giugno 1990. http://dx.doi.org/10.21236/ada224611.

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Pai, Sharmila V., Cary F. Chabalowski e Betsy M. Rice. Ab Initio and DFT Potential Energy Surfaces for Cyanuric Chloride Reactions. Fort Belvoir, VA: Defense Technical Information Center, luglio 1998. http://dx.doi.org/10.21236/ada351780.

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Schaefer, H. F. III. Potential energy surfaces for chemical reactions. Progress report, March 15, 1988--1989. Office of Scientific and Technical Information (OSTI), gennaio 1995. http://dx.doi.org/10.2172/10103084.

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