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Auteur : Grafiati
Publié le 10 mars 2023

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1

Strelko, V. V., Yu I. Gorlov et E. M. Demianenko. « Hyteroatoms Si, P, S as possible factors for the formation of the structure of pyrolyzed carbon materials ». Surface 13(28) (30 décembre 2021) : 47–56. http://dx.doi.org/10.15407/surface.2021.13.047.

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The aim of the study was to investigate the effect of heteroatoms on the deformation of graphene, as well as on the formation of the Stone-Wallace defect. To date, research on processes involving nanocarbon materials is relevant. In particular, in the formation of fullerenes, nanoonions and a number of other carbon nanoforms, the five-membered carbon cycles (pentactagonis) of the hepatogenesis (pentactagon) play the most important role in the curvature of initially flat graphene sheets and the formation of fullerene-like structures in the form of closed, skeletal, macromolecular formations. It should be noted, however, that the Pentagon is not the only factor in distorting the flat structure of graphene sheets in layered carbon materials. Some other defects of the carbon lattice (in particular, seven-membered carbon cycles and heteroatoms of a number of nonmetals with covalent radii exceeding the radius of the carbon atom) may play a similar role to one degree or another. These heteroatoms (primarily Si, P, S) are usually part of the precursors of mineral or vegetable origin and can be embedded in the carbon lattice in the process of coal production. Stone-Wallace there is their mutual compensation and preservation of a flat structure. The calculations were performed using quantum chemical modeling of doped nanographs in clusters of different size, composition and morphology, using the theory of density functional (DFT) with exchange-correlation functional B3LYP, based on the extended valence-split basis 6-31G (d) with full optimism clusters using the Firefly software package. It has been found that heteroatoms of non-metals with covalent radii exceeding the radius of the C atom, which are usually present in the precursors of mineral or vegetable origin used to produce pyrolyzed carbon materials, can play a significant role in energy. a number of nanoforms of carbon, activated carbon and other pyrolyzed nanostructured carbon materials.
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2

Zolotarenko, O. D., O. P. Rudakova, M. T. Kartel, H. O. Kaleniuk, A. D. Zolotarenko, D. V. Schur et Yu O. Tarasenko. « The mechanism of forming carbon nanostructures by electric arc-method ». Surface 12(27) (30 décembre 2020) : 263–88. http://dx.doi.org/10.15407/surface.2020.12.263.

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The regularities of the formation of nanostructures during the evaporation of graphite by the electric ARC – method are studied. Described physicochemical processes in the synthesis reactor . At plasma temperatures taking into account the behavior of particles in electromagnetic fields with extreme temperature and pressure grants. A sequence of organization of matter in the process of forming a structure according to nano-dimensional characteristics is proposed. The self-organization of systems during electric arc evaporation of graphite or graphite-containing electrodes has been studied. The mechanisms of formation of soluble (fullerenes and fullerene-like structures) and insoluble (nanocomposites, CNTs, graphenes) carbon nanostructures are considered. The processes occurring in the electric arc synthesis reactor are analyzed: the process of distribution of charged particles in an electric arc at different times; processes taking place at the anode; the mechanism of carbon vapor formation during graphite evaporation; processes in the gas phase and on the walls of the reactor under the conditions of an electric arc discharge; model of the reactor space zones; formation of carbon nanostructures in the gas phase and on the inner surface of the reactor. use of doped electrodes and metal inserts (sleeves) as catalysts for the synthesis of carbon nanostructures. The sequence of processes in the formation of spherical carbon molecules is studied, and the processes and structural transformations are considered. In the research work, the products (fullerenes and fullerene-like structures, nanocomposites, VNT, graphenes) of electric arc synthesis are presented, and modern methods of analysis are used for their fixation and identification.
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3

Demianenko, E. M., A. G. Grebenyuk, V. V. Lobanov, V. O. Gabovich, V. O. Pokrovskiy et M. I. Terets. « Structure and formation energy of multiple protonated molecular ions of acridine yellow : quantum-chemical calculations ». Surface 8(23) (30 décembre 2016) : 50–57. http://dx.doi.org/10.15407/surface.2016.08.050.

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4

Krupska, T. V., V. M. Gun'ko, I. S. Protsak, I. I. Gerashchenko, A. P. Golovan, N. Yu Klymenko, V. V. Turov et M. T. Kartel. « Properties of composite systems based on polymethylsiloxane and silica in the water environment ». Surface 12(27) (30 décembre 2020) : 100–136. http://dx.doi.org/10.15407/surface.2020.12.100.

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The formation of a composite system based on equal amounts of hydrophobic, porous polymethylsiloxane and hydrophilic nanosilicon A-300 was studied. It is shown that during the formation of a composite system the specific surface of the material is significantly reduced, which is due to the close contact between hydrophobic and hydrophilic particles. When water is added to the composite system, in the process of homogenization under conditions of dosed mechanical loading, the effect of nanocoagulation is manifested – the formation of nanosized particles of hydrated silica inside the polymethylsiloxane matrix, recorded on TEM microphotographs. When measuring the value of the interfacial energy of PMS and PMS/A-300 composite by low-temperature 1H NMR spectroscopy, it was found that the effect of nanocoagulation is manifested in a decrease (compared to the original PMS) energy of water interaction with the surface of the composite obtained under small mechanical conditions. its growth when using high mechanical loads. In the process, the binding of water in heterogeneous systems containing PMS, pyrogenic nanosilica (A-300), water and surfactants – decamethoxine (DMT) was studied. Composite systems were created using metered mechanical loads. It is shown that when filling the interparticle gaps of PMS by the method of hydrosealing, the interphase energy of water in the interparticle gaps of hydrophobic PMS with the same hydration is twice the interfacial energy of water in hydrophilic silica A-300. This is due to the smaller linear dimensions of the interparticle gaps in PMS compared to A-300. In the composite system, A-300/PMS/DMT/H2O there are non-additive growth of binding energy of water, which is probably due to the formation, under the influence of mechanical stress in the presence of water, microheterogeneous areas consisting mainly of hydrophobic and hydrophilic components (microcoagulation). Thus, with the help of mechanical loads, you can control the adsorption properties of composite systems and create new materials with unique adsorption properties.
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5

Koll�r, J., L. Vitos, B. Johansson et H. L. Skriver. « Metal Surfaces : Surface, Step and Kink Formation Energies ». physica status solidi (b) 217, no 1 (janvier 2000) : 405–18. http://dx.doi.org/10.1002/(sici)1521-3951(200001)217:1<405 ::aid-pssb405>3.0.co;2-6.

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6

Ishii, A., et T. Aisaka. « Surface barrier sensitivity of positronium formation at surfaces ». Applied Surface Science 85 (janvier 1995) : 33–38. http://dx.doi.org/10.1016/0169-4332(94)00304-1.

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7

Filonenko, О. V., E. M. Demianenko et V. V. Lobanov. « Quantum chemical modeling of orthophosphoric acid adsorption sites on hydrated anatase surface ». Surface 12(27) (30 décembre 2020) : 20–35. http://dx.doi.org/10.15407/surface.2020.12.020.

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Quantum chemical modeling of orthophosphoric acid adsorption sites on the hydrated surface of anatase was performed by the method of density functional theory (exchange-correlation functional PBE0, basis set 6-31 G(d,p)). The influence of the aqueous medium was taken into account within the framework of the continual solvent model. The work uses a cluster approach. The anatase surface is simulated by a neutral Ti(OH)4(H2O)2 cluster. The results of analysis of the geometry and energy characteristics of all the calculated complexes show that the highest interaction energy is inherent to the intermolecular complex of orthophosphoric acid and hydrated surface of anatase, where the oxygen atom of the phosphoryl group (О=Р≡) forms a hydrogen bond with a hydrogen atom of the coordinated water molecule of Ti(OH)4(H2O)2 cluster and two hydrogen atoms of the hydroxyl groups of the orthophosphoric acid molecule form two hydrogen bonds with two oxygen atoms of the titanol groups. The formation energy effect of this complex is -134.0 kJ/mol. The formation energy effect of the complex with separated charges by the proton transfer from the molecule H3PO4 to the Ti(OH)4(H2O)2 cluster with the formation of dihydrogen phosphate anion and the protonated form of the titanol group (º) is -131.1 kJ/mol, so indicating less thermodynamic probability of such intermolecular interaction. The smallest thermodynamic probability (-123.9 kJ/mol) of complexation between orthophosphoric acid and hydrated anatase surface where a water molecule moves from the coordination sphere of the titanium atom. The calculation results indicate a possible adsorption of the H3PO4 molecule in an aqueous solution on the hydrated anatase surface. Taking into account the effect of the solvent within the polarization continuum insignificantly changes the adsorption energy, which is -44.5 kJ/mol; for vacuum conditions this value is -49.0 kJ/mol.
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8

Vorobets, M. O., et V. V. Strebezhev. « The possibility of using filamentous fungus in the technology of the formation of highly porous surfaces on biocompatible substances ». Surface 10(25) (30 décembre 2018) : 137–41. http://dx.doi.org/10.15407/surface.2018.10.137.

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9

Garbuz, V. V., V. A. Petrova, T. A. Silinskaya, T. F. Lobunets, O. I. Bykov, V. B. Muratov, T. M. Terentyeva et al. « Specific surface area, crystallite size and thermokinetic of oxide formation γ → α-Al2O3 nano powders at 570 – 1470 K ». Surface 12(27) (30 décembre 2020) : 146–52. http://dx.doi.org/10.15407/surface.2020.12.146.

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Powders where the γ≈α-Al2O3-nano phases are the priority precursors for catalysts for heterogeneous catalysis with the maximum content of surface 5-coordinated Al centers for Pt attachment. Hydrogenated nano powders (~8 nm) of γ-, γ '-, θ-, κ-Al2O3 soluble in hydrochloric acid were obtained from the processing of aluminum boride powders with an icosahedral structure. Samples, which underwent a step-by-step and single heating of 50-100K heat treatment for 2 hours at temperatures of 570-1470K, were received in quantity of 34. The specific surface area of SВET, m2g-1 was measured by the thermal nitrogen desorption express method of gas chromatography through the GC-1 device. X-ray (phase and coherent), fluorescence and phase chemical-analytical evaluation of the samples were performed. The thermokinetic characteristics of the processes are calculated using the exponential Arrhenius law. Dimensional characteristics of crystallites (10.4-48 nm); specific surface area of powders (213-8.6 m2g-1, SВET); thermokinetic parameters of α-Al2O3 crystallite growth process (V α-Al2O3 - 1.44 10-3 - 6.67 10-3 nm s-1; E α-Al2O3 = 38.7±2.1kJ mol-1; A0 = 0.16±0.0 s-1 along the temperature line 1220-1470K were determined and calculated. The process of dehydration of two OH-groups occurs in the region 570-720K Ea H2O ↑ = 30.5 ± 0.5 kJ mol-1 A0 = 1.33±0.3 s-1. The last group of OH at temperatures of 820 -1070К and a rate of 2.13 10-4 - 4.93 10-4 mol s-1 Ea H2O ↑ = 13.2 ± 0.8 kJ mol-1 A0 = 16.9 ± 0.9 s-1. The activation energy of the phase transition is Ea., γ → α-Al2O3 = 23.9 ± 1.0 kJ mol-1 A0 = 2.01 ± 0.72 s-1 (770-970K) and Ea., γ → α-Al2O3 = 83.5 ± 0.8 kJ mol-1 A0 =(2,05±0,95) 103 s-1 (1070-1170K). It agrees well with the known heat of conversion Eа, γ→α-Al2O3 = 85 kJ mol-1. The TK of γ≈α-Al2O3-nano phases is at 1170K.
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10

Novoselov, Yu A. « Surface formation in cutting ». Russian Engineering Research 28, no 4 (avril 2008) : 385–90. http://dx.doi.org/10.3103/s1068798x08040230.

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11

Hoster, Harry E. « Catalysing surface film formation ». Nature Catalysis 1, no 4 (avril 2018) : 236–37. http://dx.doi.org/10.1038/s41929-018-0060-2.

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12

Anoshin, V. A., et V. M. Ilyushenko. « Effect of surface-active elements on the formation of solidification cracks ». Paton Welding Journal 2018, no 10 (28 octobre 2018) : 14–21. http://dx.doi.org/10.15407/tpwj2018.10.03.

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13

Ali, Sarwar H., et S. R. Saeed. « Simulation of Nanopattern Formation of Si Surface due to Ion Irradiation ». Journal of Zankoy Sulaimani - Part A 16, no 1 (27 janvier 2014) : 29–36. http://dx.doi.org/10.17656/jzs.10282.

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14

Havryliuk, O. O., et O. Yu Semchuk. « Formation of Periodic Structures on the Solid Surface under Laser Irradiation ». Ukrainian Journal of Physics 62, no 1 (janvier 2017) : 20–32. http://dx.doi.org/10.15407/ujpe62.01.0020.

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15

Dutta, Soham, et Andrew J. Gellman. « Enantiomer surface chemistry : conglomerate versus racemate formation on surfaces ». Chemical Society Reviews 46, no 24 (2017) : 7787–839. http://dx.doi.org/10.1039/c7cs00555e.

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16

Сальков, Николай, et Nikolay Sal'kov. « General Principles for Formation of Ruled Surfaces. Part 3 ». Geometry & ; Graphics 7, no 2 (15 août 2019) : 13–27. http://dx.doi.org/10.12737/article_5d2c170ab37810.30821713.

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We continue to consider the formation of ruled surfaces with a single method of their formation. In the first and second parts have been introduced more than forty options for specifying surfaces. These formations with the help of guide lines and surfaces are considered in a new aspect – as formation in science and production of all of ruled surfaces. In this paper, we consider new options for specifying ruled surfaces. Generalized the task for torso surface. If in textbooks on descriptive geometry torso surface is given as 1∞ straight lines, tangent to the spatial line, the proposed version of the are considered three guides: two curves (surface) plus a plane touching to both curves (surfaces). It is shown that three guides are also required to set screw ruled surfaces. The concept of a limit ruled surface is introduced to determine the region of existence of ruled surfaces. The table of the simplest geometrical figures for obtaining congruences is given. A number of examples of congruences obtained by using two guides are given. All these examples once again confirmed the validity of the law of assignment of ruled surfaces using three guides and three geometric conditions characterizing the ratio of the forming line to these three guides. The three geometric conditions are the contact of the forming line to the guide surface and the intersection of the forming line with the guide line. The proposed task of ruled surfaces can be used in the consideration of ruled surfaces in lectures on descriptive geometry and other geometric disciplines.
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17

Bogatyrov, V. M., M. V. Borysenko, M. V. Galaburda et O. I. Oranska. « Synthesis and properties of nanocomposites based on zinc phosphate and fumed silica ». Surface 12(27) (30 décembre 2020) : 179–92. http://dx.doi.org/10.15407/surface.2020.12.179.

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The aim of the work was to synthesize nanocomposites based on pyrogenic silica and zinc phosphate by a simple method without using a large amount of solvent and to study the characteristics and properties of the obtained materials. The dual systems of zinc phosphate/pyrogenic silica with the different ratio of components were synthesized via mechanical grinding in a porcelain drum ball mill of fumed silica (Orysyl A-380), zinc acetate (Zn(CH3COO)2·2H2O) and phosphoric acid with distilled water, followed by air-drying in an oven at 125 °C (2 h) and calcination in a muffle oven at 450 °C for 2 h. The zinc phosphate content was 0.1, 0.2, and 0.3 mmol per 1 g of SiO2. The control sample (ZP-K) was synthesized by thermal treatment of the precipitate, formed after mixing on a magnetic stirrer an aqueous solution of zinc acetate with the addition dropwise of phosphoric acid, without the use of SiO2. X-ray diffraction studies of the nanocomposites confirmed the formation of the crystalline phase of Zn3(PO4)2·4H2O (orthorhombic modification) both in the silica-containing and control ZP-K samples after air drying at 125 °C, while heat treatment at 450 °C leaded to the formation of the anhydrous monoclinic Zn3(PO4)2 phase. The content of the zinc phosphate in the dual composites was 0.1, 0.2, and 0.3 mmol per 1 g of SiO2. The IR spectra of the nanocomposites indicated the presence of absorption bands in the range of 3760-3600 cm-1, which were attributed to the unequal structural ‒OH groups of silicon and phosphorus atoms. It was found that the presence of zinc phosphate on the SiO2 surface does not cause the chemical interaction with silica during heat treatment of composites in air even at 900-1000 °C. It was shown that the ability of Zn3(PO4)2/SiO2 composites to adsorb water vapor decreases with increasing amount of modifying compound. The effect of the obtained phosphorus-containing nanocomposite on the thermal stability of an alkyd polymer matrix was considered.
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18

Görög, Augustín. « Simulation of Superfinished Surface Formation ». Advances in Science and Technology Research Journal 15, no 2 (1 juin 2021) : 219–27. http://dx.doi.org/10.12913/22998624/133064.

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19

Tromp, R. M. « Surface stress and interface formation ». Physical Review B 47, no 12 (15 mars 1993) : 7125–27. http://dx.doi.org/10.1103/physrevb.47.7125.

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20

Duś, R., et E. Nowicka. « Surface mediated yttrium deuteride formation ». Surface Science 507-510 (juin 2002) : 819–24. http://dx.doi.org/10.1016/s0039-6028(02)01406-1.

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21

Valls-Gabaud, D., et T. Zannias. « Mechanism of trapped surface formation ». Physical Review D 48, no 6 (15 septembre 1993) : 2943–46. http://dx.doi.org/10.1103/physrevd.48.2943.

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22

Zhu, Min, Pierre O. Souillac, Cristian Ionescu-Zanetti, Sue A. Carter et Anthony L. Fink. « Surface-catalyzed Amyloid Fibril Formation ». Journal of Biological Chemistry 277, no 52 (27 septembre 2002) : 50914–22. http://dx.doi.org/10.1074/jbc.m207225200.

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23

Heinz, K., L. Hammer, A. Klein et A. Schmidt. « Nanowire formation without surface steps ». Applied Surface Science 237, no 1-4 (octobre 2004) : 520–28. http://dx.doi.org/10.1016/j.apsusc.2004.07.021.

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24

HEIDARI, Mehdi, et Jiwang YAN. « 0702 Investigation on surface formation mechanism of porous carbon in diamond turning ». Proceedings of International Conference on Leading Edge Manufacturing in 21st century : LEM21 2015.8 (2015) : _0702–1_—_0702–6_. http://dx.doi.org/10.1299/jsmelem.2015.8._0702-1_.

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25

SCHMIDLIN, Patrick R., Phillip MÜLLER, Thomas ATTIN, Marco WIELAND, Deborah HOFER et Bernhard GUGGENHEIM. « Polyspecies biofilm formation on implant surfaces with different surface characteristics ». Journal of Applied Oral Science 21, no 1 (février 2013) : 48–55. http://dx.doi.org/10.1590/1678-7757201302312.

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26

Dietze, Elisabeth M., Lin Chen et Henrik Grönbeck. « Surface steps dominate the water formation on Pd(111) surfaces ». Journal of Chemical Physics 156, no 6 (14 février 2022) : 064701. http://dx.doi.org/10.1063/5.0078918.

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27

Makoshi, K. « Anomalous Fermi Surface Effect in Positronium Formation at Metal Surfaces ». Solid State Phenomena 28-29 (janvier 1992) : 251–66. http://dx.doi.org/10.4028/www.scientific.net/ssp.28-29.251.

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28

Bruellhoff, Kristina, JöRg Fiedler, Martin MöLler, JüRgen Groll et Rolf E. Brenner. « Surface Coating Strategies to Prevent Biofilm Formation on Implant Surfaces ». International Journal of Artificial Organs 33, no 9 (septembre 2010) : 646–53. http://dx.doi.org/10.1177/039139881003300910.

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29

Hamed, Rania, Daniel M. Schenck et Jennifer Fiegel. « Surface rheological properties alter aerosol formation from mucus mimetic surfaces ». Soft Matter 16, no 33 (2020) : 7823–34. http://dx.doi.org/10.1039/d0sm01232g.

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The effects of surface tension and surface viscoelastic properties on the formation of aerosol droplets generated from mucus-like viscoelastic gels (mucus mimetics) during shearing with a high velocity air stream were investigated.
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30

Momin, O., S. Z. Shuja et B. S. Yilbas. « CO2 laser heating of surfaces : Melt pool formation at surface ». Optics & ; Laser Technology 44, no 2 (mars 2012) : 463–70. http://dx.doi.org/10.1016/j.optlastec.2011.08.014.

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31

Darmawan, Marten, et Doyoung Byun. « Focused surface acoustic wave induced jet formation on superhydrophobic surfaces ». Microfluidics and Nanofluidics 18, no 5-6 (16 octobre 2014) : 1107–14. http://dx.doi.org/10.1007/s10404-014-1503-y.

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32

Kang, Min-Gu, et Hyung-Ho Park. « Surface preparation and effective contact formation for GaAs surface ». Vacuum 67, no 1 (septembre 2002) : 91–100. http://dx.doi.org/10.1016/s0042-207x(02)00202-6.

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33

Cansizoglu, Mehmet F., Mesut Yurukcu et Tansel Karabacak. « Ripple Formation during Oblique Angle Etching ». Coatings 9, no 4 (22 avril 2019) : 272. http://dx.doi.org/10.3390/coatings9040272.

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Chemical removal of materials from the surface is a fundamental step in micro- and nano-fabrication processes. In conventional plasma etching, etchant molecules are non-directional and perform a uniform etching over the surface. However, using a highly directional obliquely incident beam of etching agent, it can be possible to engineer surfaces in the micro- or nano- scales. Surfaces can be patterned with periodic morphologies like ripples and mounds by controlling parameters including the incidence angle with the surface and sticking coefficient of etching particles. In this study, the dynamic evolution of a rippled morphology has been investigated during oblique angle etching (OAE) using Monte Carlo simulations. Fourier space and roughness analysis were performed on the resulting simulated surfaces. The ripple formation was observed to originate from re-emission and shadowing effects during OAE. Our results show that the ripple wavelength and root-mean-square roughness evolved at a more stable rate with accompanying quasi-periodic ripple formation at higher etching angles (θ > 60°) and at sticking coefficient values (Sc) 0.5 ≤ Sc ≤ 1. On the other hand, smaller etching angle (θ < 60°) and lower sticking coefficient values lead to a rapid formation of wider and deeper ripples. This result of this study can be helpful to develop new surface patterning techniques by etching.
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34

Zhao, Ying, Tian Ying Xiong, Yu Liang Liu, Tie Fan Li et Long Bao Wang. « Effect of Surface Morphology on Apatite Formation ». Materials Science Forum 510-511 (mars 2006) : 974–77. http://dx.doi.org/10.4028/www.scientific.net/msf.510-511.974.

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The bioactivity of Ti6Al4V induced by SSPB (supersonic particles bombarding) and alkali treatment was investigated in this work. More coarse surfaces were formed by SSPB and alkali treatment, which led to better bioactivity than that by only alkali treatment. Apatite began to appear on the surface of specimen only after 1 day of immersion in 1.5 SBF. As time passed, they gradually covered the whole surfaces. After 7 days of soaking in vitro, apatite formed and covered all the surfaces of the titanium alloys, and they packed very densely and uniformly. EDS and XRD results proved all the new-formed phases were composed of a carbonate containing hydroxyapatite with small crystallites and defective structure. As a result, SSPB treatment might be an effective way to enhance the bioactivity of titanium alloys for implantation.
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Pita, Pedro Paulo Cardoso, José Augusto Rodrigues, Claudia Ota-Tsuzuki, Tatiane Ferreira Miato, Elton G. Zenobio, Gabriela Giro, Luciene C. Figueiredo et al. « Oral Streptococci Biofilm Formation on Different Implant Surface Topographies ». BioMed Research International 2015 (2015) : 1–6. http://dx.doi.org/10.1155/2015/159625.

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The establishment of the subgingival microbiota is dependent on successive colonization of the implant surface by bacterial species. Different implant surface topographies could influence the bacterial adsorption and therefore jeopardize the implant survival. This study evaluated the biofilm formation capacity of five oral streptococci species on two titanium surface topographies.In vitrobiofilm formation was induced on 30 titanium discs divided in two groups: sandblasted acid-etched (SAE-n=15) and as-machined (M-n=15) surface. The specimens were immersed in sterilized whole human unstimulated saliva and then in fresh bacterial culture with five oral streptococci species:Streptococcus sanguinis,Streptococcus salivarius,Streptococcus mutans,Streptococcus sobrinus, andStreptococcus cricetus. The specimens were fixed and stained and the adsorbed dye was measured. Surface characterization was performed by atomic force and scanning electron microscopy. Surface and microbiologic data were analyzed by Student’st-test and two-way ANOVA, respectively (P<0.05).S. cricetus,S. mutans,andS. sobrinusexhibited higher biofilm formation and no differences were observed between surfaces analyzed within each species (P>0.05).S. sanguinisexhibited similar behavior to form biofilm on both implant surface topographies, whileS. salivariusshowed the lowest ability to form biofilm. It was concluded that biofilm formation on titanium surfaces depends on surface topography and species involved.
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Kazakova, O. O., N. O. Lipkovska et V. M. Barvinchenko. « Spectral and quantum-chemical investigation of interactions in supra-molecular systems : cucumin - decametoxin - silica in aqueous solutions ». SURFACE 14(29) (30 décembre 2022) : 221–30. http://dx.doi.org/10.15407/surface.2022.14.221.

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The peculiarities of the interaction in the supramolecular system: the natural hydrophobic polyphenol curcumin - the antiseptic cationic surface-active substance decamethoxin - highly dispersed silica was revealed by the spectrophotometric method. It was established that significant changes in the spectral characteristics of curcumin in aqueous solutions and on the surface of the sorbent depend on the concentration of this cationic surfactant, which can exist in the solution in the form of monomers, associates, and micelles. The PM7 method and the COSMO solvation model, implemented in the MOPAC2016 software package were used to determine the mechanism of adsorption of the supramolecular complex of curcumin (in ketone or enol form) with decamethoxine on the silica surface. The distribution of electrostatic and hydrophobic potentials of the studied molecules, calculated by the FieldView 2.0.2 method (Flare software package), indicates a significant contribution of hydrophobic interactions in the formation of supramolecular complexes of curcumin with decamethoxin in solution and on the surface of silica. The obtained results are of practical importance and can be used in the development of new more effective drugs containing bioactive curcumin, antiseptic decamethoxine and enterosorbent silicon dioxide.
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Strelko, V. V., et Yu I. Gorlov. « Influence of electronic states of nanographs in carbon microcrystallines on surface chemistry of activated charcoal varieties ». Surface 13(28) (30 décembre 2021) : 15–38. http://dx.doi.org/10.15407/surface.2021.13.015.

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In this paper, the nature of the chemical activity of pyrolyzed nanostructured carbon materials (PNCM), in particular active carbon (AC), in reactions of electron transfer considered from a single position, reflecting the priority role of paramagnetic centers and edge defunctionaled carbon atoms of carbon microcristallites (CMC) due to pyrolysis of precursors. Clusters in the form of polycyclic aromatic hydrocarbons with open (OES) and closed (CES) electronic shells containing terminal hydrogen atoms (or their vacancies) and different terminal functional groups depending on specific model reactions of radical recombination, combination, replacement and elimination were used to model of nanographenes (NG) and CM. Quantum-chemical calculations of molecular models of NG and CMC and heat effects of model reactions were performed in frames of the density functional theory (DFT) using extended valence-splitted basis 6-31G(d) with full geometry optimization of concrete molecules, ions, radicals and NG models. The energies of boundary orbitals were calculated by means of the restricted Hartry-Fock method for objects with closed (RHF) and open (ROHF) electronic shells. The total energies of small negative ions (HOO-, HO-) and anion-radical О2•‾) were given as the sum of calculated total energies of these compounds and their experimental electron affinities. The estimation of probability of considered chemical transformations was carried out on the base on the well-known Bell-Evans-Polyani principle about the inverse correlation of the thermal effects of reactions and its activation energies. It is shown that the energy gap ΔЕ (energy difference of boundary orbitals levels) in simulated nanographens should depend on a number of factors: the periphery structure of models, its size and shape, the number and nature of various structural defects, electronic states of NG. When considering possible chemical transformations on the AC surface, rectangular models of NG were used, for which the simple classification by type and number of edge structural elements of the carbon lattice was proposed. Quantum chemical calculations of molecular models of NG and CNC and the energy of model reactions in frames of DTF showed that the chemisorption of free radicals (3O2 and N•O), as recombination at free radical centers (FRC), should occur with significant heat effects. Such calculations give reason to believe that FRC play an important role in formation of the functional cover on the periphery of NG in CMC of studied materials. On the base of of cluster models of active carbon with OES new ideas about possible reactions mechanisms of radical-anion О2•‾ formation and decomposition of hydrogen peroxide on the surface of active carbon are offered. Explanation of increased activity of AC reduced by hydrogen in H2O2 decomposition is given. It is shown that these PNCM models, as first of all AC, allow to adequately describe their semiconductor nature and acid-base properties of such materials.
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Chiang, Wen-Chi, Casper Schroll, Lisbeth Rischel Hilbert, Per Møller et Tim Tolker-Nielsen. « Silver-Palladium Surfaces Inhibit Biofilm Formation ». Applied and Environmental Microbiology 75, no 6 (16 janvier 2009) : 1674–78. http://dx.doi.org/10.1128/aem.02274-08.

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ABSTRACT Undesired biofilm formation is a major concern in many areas. In the present study, we investigated biofilm-inhibiting properties of a silver-palladium surface that kills bacteria by generating microelectric fields and electrochemical redox processes. For evaluation of the biofilm inhibition efficacy and study of the biofilm inhibition mechanism, the silver-sensitive Escherichia coli J53 and the silver-resistant E. coli J53[pMG101] strains were used as model organisms, and batch and flow chamber setups were used as model systems. In the case of the silver-sensitive strain, the silver-palladium surfaces killed the bacteria and prevented biofilm formation under conditions of low or high bacterial load. In the case of the silver-resistant strain, the silver-palladium surfaces killed surface-associated bacteria and prevented biofilm formation under conditions of low bacterial load, whereas under conditions of high bacterial load, biofilm formation occurred upon a layer of surface-associated dead bacteria.
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Hassiotis, N., G. Petropoulos, C. Hatzopoulos et N. Vaxevanidis. « Influence of Surface Topography on Corrosion of Stainless Steel AISI 304 Turned Surfaces with Different Cutting Conditions ». Advanced Materials Research 18-19 (juin 2007) : 399–405. http://dx.doi.org/10.4028/www.scientific.net/amr.18-19.399.

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In this study, the correlation between corrosion behaviour and formations, and topographic characteristics of machined surfaces of stainless steel AISI 304 is investigated. Face turning was performed for combinations of cutting conditions, leading to four differing surface patterns owing to regular chip formation, very small chip thickness effect and built-up-edge formation. To simulate industrial and environmental corrosion two corrosion tests were applied i.e. alternate immersion method and exposure to FeCl3 solution. Different corrosion behaviour was revealed through stereoscopic examination of the surfaces with regard to machining conditions and the best global anti-corrosive performance was exhibited by the surfaces generated under regular chip formation.
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Das, Ankan, Kinsuk Acharyya, Sonali Chakrabarti et Sandip K. Chakrabarti. « Methanol formation : A Monte Carlo study ». Proceedings of the International Astronomical Union 4, S251 (février 2008) : 121–22. http://dx.doi.org/10.1017/s1743921308021327.

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AbstractWe carry out a Monte-Carlo simulation to study the formation of methanol on the grain surfaces. We found that the recombination efficiencies are strongly dependent on the extrinsic properties of the grain, such as the number of sites on the grain surface and the flux of the accreting matter. This uses the concept of effective grain surface (denoted through a factor α) area which changes as the grain is populated.
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CONRAD, EDWARD H. « THE STABILITY OF LOW INDEX METAL SURFACES TO TOPOLOGICAL DEFECTS ». International Journal of Modern Physics B 05, no 03 (10 février 1991) : 427–59. http://dx.doi.org/10.1142/s0217979291000274.

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The study of defect formation at metal surfaces is a fundamental problem in surface physics. An understanding of defect formation is pertinent to growth and diffusion mechanisms. In addition, surface roughening, faceting, and surface melting are all defect mediated phase transitions involving the formation of different topological defects. While the importance of defects at surfaces is well recognized, the study of surface defects has been hampered by the lack of sufficiently accurate experimental techniques. In fact, it is only in the past 6 years that experiments on the thermal generation of defects on metal surfaces have been performed. This review attempts to outline both the theoretical and experimental work on surface defect formation on metal systems.
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Zhao, Budi, et J. Carlos Santamarina. « Desiccation crack formation beneath the surface ». Géotechnique 70, no 2 (février 2020) : 181–86. http://dx.doi.org/10.1680/jgeot.18.t.019.

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Prabhu Suraj Nanduru, Venkata Sai, Nagalla Siva Ramakrishna, Ramineni Surendra Babu, P. Dinesh Babu, P. Marimuthu, Sandeep Miryala et C. S. Srinandan. « Laser surface texturing inhibits Biofilm formation ». Materials Chemistry and Physics 271 (octobre 2021) : 124909. http://dx.doi.org/10.1016/j.matchemphys.2021.124909.

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Hagmar, Björn. « CELL SURFACE CHARGE AND METASTASIS FORMATION ». Acta Pathologica Microbiologica Scandinavica Section A Pathology 80A, no 3 (15 août 2009) : 357–66. http://dx.doi.org/10.1111/j.1699-0463.1972.tb00291.x.

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Duś, R., E. Nowicka et Z. Wolfram. « Surface-Mediated Formation of Vanadium Hydrides ». Langmuir 14, no 19 (septembre 1998) : 5487–94. http://dx.doi.org/10.1021/la980159d.

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Geib, K. M. « Formation of S–GaAs surface bonds ». Journal of Vacuum Science & ; Technology B : Microelectronics and Nanometer Structures 8, no 4 (juillet 1990) : 838. http://dx.doi.org/10.1116/1.584975.

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Romanzin, C., S. Ioppolo, H. M. Cuppen, E. F. van Dishoeck et H. Linnartz. « Water formation by surface O3 hydrogenation ». Journal of Chemical Physics 134, no 8 (28 février 2011) : 084504. http://dx.doi.org/10.1063/1.3532087.

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Krüger, Justus, Niko Pavliček, José M. Alonso, Dolores Pérez, Enrique Guitián, Thomas Lehmann, Gianaurelio Cuniberti et al. « Tetracene Formation by On-Surface Reduction ». ACS Nano 10, no 4 (15 mars 2016) : 4538–42. http://dx.doi.org/10.1021/acsnano.6b00505.

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Song, Mo, Douglas J. Hourston et Yongxin Pang. « Surface dynamics during latex film formation ». Progress in Organic Coatings 40, no 1-4 (décembre 2000) : 167–73. http://dx.doi.org/10.1016/s0300-9440(00)00143-0.

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Boyne, A., M. D. Rauscher, S. A. Dregia et Y. Wang. « Surface island formation with localized stresses ». Scripta Materialia 64, no 8 (avril 2011) : 705–8. http://dx.doi.org/10.1016/j.scriptamat.2010.12.017.

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