Search results for "interfaces"
showing 10 items of 1258 documents
Ethylene and phenylene bridged polysilsesquioxanes functionalized by amine and thiol groups as adsorbents of volatile organic compounds
2007
Abstract Ethylene and phenylene bridged polysilsesquioxane xerogels having amine and thiol groups attached to the surface have been obtained by the sol–gel method from 1,2-bis(triethoxysilyl)ethane or 1,4-bis(triethoxysilyl)benzene and functionalized silanes in the presence of an ammonium fluoride catalyst in an ethanol solution. The synthesized samples have a porous structure (700–850 m2/g) and a high content of functional groups (1.4–1.9 mmol/g). The obtained porous bridged polysilsesquioxanes exhibit a considerable affinity for adsorbing several organic compounds (n-hexane, n-heptane, benzene, cyclohexane, acetonitrile and triethylamine) from the gas phase. The sample with an ethylene br…
DFT study on complete ethylene decomposition on flat and stepped Pd
2010
Abstract We applied density functional theory (DFT) calculations to study ethylidyne (CCH 3 ) adsorption and decomposition to C and H over flat and stepped Pd surfaces. Our calculations show that ethylidyne is the most stable molecule among all the possible dehydrogenation or decomposition residues of ethylene. We discuss various possible reaction pathways for ethylidyne decomposition and point out that the most probable one is via ethynyl (CCH) species suggested also by experimental observations. Our calculations indicate that the presence of steps modify the potential energy surface by increasing the binding of most of the species, and also lowering the activation barrier for several reac…
Study of the reactive dynamics of nanometric metallic multilayers using Molecular Dynamics: the Al−Ni system
2012
A molecular dynamics study of a layered Ni-Al-Ni system is developed using an embedded atom method potential. The specific geometry is designed to model a Ni-Al nanometric metallic multilayer. The system is initially thermalized at the fixed temperature of 600 K. We first observe the interdiffusion of Ni and Al at the interfaces, which is followed by the spontaneous phase formation of B2-NiAl in the Al layer. The solid-state reaction is associated with a rapid system's heating which further enhances the diffusion processes. NiAl phase is organized in small regions separated by grain boundaries. This study confirms the hypothesis of a layer-by-layer development of the new phase. For longer t…
An experimental study of dynamic behaviour of graphite polycarbonatediol polyurethane composites for protective coatings
2013
Segmented polycarbonatediol polyurethane (PUPH) has been synthesized and modified with different amounts of graphite conductive filler (from 0 to 50 wt%). Thermal and dynamical thermal analysis of the composites clearly indicates changes in the polyurethane relaxations upon addition of graphite. Broadband dielectric spectroscopy has been used to study the dielectric properties of the (PUPH) and one composite in the frequency range from 10−2 to 107 Hz and in the temperature window of −140 to 170 ◦C. Relaxation processes associated with different molecular motions and conductivity phenomena (Maxwell–Wagner–Sillars and electrode polarization) are discussed and related to the graphite content
Wear modelling in mild steel orthogonal cutting when using uncoated carbide tools
2007
Abstract Wear prediction in machining has been recently studied by FEM although the use of numerical methods for such applications is still a very challenging research issue. In fact, wear phenomenon involves many aspects related to process mechanics which require a very accurate modelling. In other words, only a very punctual code set-up can help the researchers in order to obtain consistent results in FE analysis. The high relative velocity between chip and tool requires effective material models as well as friction modelling at the interface. Moreover the prediction of temperature distribution is another critical task; in the paper some different procedures are discussed. Subsequently a …
Controlled solution-based fabrication of perovskite thin films directly on conductive substrate
2021
Abstract Organometallic perovskites are one of the most investigated materials for high-efficiency thin-film devices to convert solar energy and supply energy. In particular, methylammonium lead iodide has been used to realize thin-film perovskite solar cells, achieving an efficiency higher than 20%. Different fabrication procedures based on the spin-coating technique have been proposed, which do not ensure homogenous morphologies. In this work, we present a scalable process to fabricate methylammonium lead iodide thin films directly on conductive substrates, consisting of electrodeposition and two subsequent chemical conversions. A thorough investigation of the morphological, structural an…
CMOS-compatible nanoscale gas-sensor based on field effect
2009
The integration of a solid state gas sensor of the metal oxide sensor type into CMOS technology still is a challenge because of the high temperatures during metal oxide annealing and sensor operation that do not comply with silicon device stability. In the presence of an external electric field sensor sensitivity can be controlled through a change of the Fermi energy level and consequently it is possible to reduce the operation temperature. Based in this effect, a novel field effect gas sensor was developed resembling a reversed insulated : gate field effect transistor (IGFET) with the thickness of gas sensing layer in the range of the Debye length (L D ). Under these conditions the control…
GESTURES AS A COMMUNICATION FEATURE IN CHILDREN WITH DEVELOPMENTAL LANGUAGE DISORDER
2019
Gestures as non-verbal communication allow us to express our attitude, emotional state, and it functions unconsciously. The verbal communication appears in the life of a child about 2 years of age and gradually replaces the non-verbal communication. However, children with DLD (Developmental Language Disorder) at the age of 3 and more do not speak or speak using separate sounds and combinations of sounds in their speech and use gestures broadly; it helps them to communicate with others. The aim of the article is to explore what kind of gestures as non-verbal communication are used by children with DLD in order to communicate with peers and adults. Based on the scientific literature of the re…
The electronic properties of SrTiO3-δ with oxygen vacancies or substitutions
2021
The authors would like to thank R. Dittmann for useful discussions, T. Kocourek, O. Pacherova, S. Cichon, V. Vetokhina, and P. Babor for their contributions to sample preparation and characterization. The authors (M.T., A.D.) acknowledge support from the Czech Science Foundation (Grant No. 19-09671S), the European Structural and Investment Funds and the Ministry of Education, Youth and Sports of the Czech Republic through Programme “Research, Development and Education” (Project No. SOLID21 CZ.02.1.01/0.0/0.0/16-019/0000760). This study was partly supported by FLAG-ERA JTC project To2Dox (L.R. and E.K.). Calculations have been performed on the LASC Cluster in the Institute of Solid State Phy…
Twisting and buckling: A new undulation mechanism for artificial swimmers
2012
Among the various locomotion strategies of the animal kingdom, the undulation locomotion is of particular interest for biomimetic applications. In this paper, we present an artificial swimmer set into motion by a new and non-trivial undulation mechanism, based on the twisting and buckling of its body. The swimmer consists of a long cylinder of ferrogel which is polarized transversely and in opposite directions at each extremity. When it is placed on a water film and submitted to a transverse oscillating magnetic field, the worm-like swimmer undulates and swims. Whereas symmetry breaking is due to the field gradient, the undulations of the worm result from a torsional buckling instability as…