Search results for "surface"
showing 10 items of 9345 documents
Molecular polarizability of Scn, Cn and endohedral Scn@Cm clusters
2002
The interacting induced dipoles polarization model implemented in the program POLAR is used for the calculation of the molecular dipole-dipole polarizability . The method is tested with Sc1-Sc7, Sc12, Sc17, Sc74, C, C12, C60, C70, C82-fullerene, Sc@C60, Sc@C82, Sc2@C82, Sc3@C82, C1-C6, C10, C13, C16, C19, C22, C24, C42, C54, C84 and C96-graphite clusters. The polarizability is an important quantity for the identification of clusters with different numbers of atoms and even for the separation of isomers. The results for the polarizability are of the same order of magnitude as reference calculations performed with another program based on the same formulation. The bulk limit for the polarizab…
One- and Two-Dimensional Diffusion of Metal Atoms in Graphene
2008
In the present work, individual Au or Pt atoms in layersconsisting of one or twographene planes have been monitoredin real time at high temperature by high-resolution TEM. Weobtain information about the location of metal atoms ingrapheneandthediffusionmechanisms.Activationenergiesfordiffusion are obtained in a temperature range close to thetemperature of the technically important metal-assisted CVDprocess.Thematerialwassynthesizedinanarcdischarge
Impact of Superfinish Turning on Surface Integrity of Pure Copper
2011
Abstract The presented study deals with comprehension of relationships between machining cutting conditions and physical-chemical properties linked with surface integrity. A multi-physics model is presented to calculate residual stress, temperature and dislocation fields in the machined material. This model includes both thermal-mechanical, structural evolution and dynamic recristallisation approaches. The model was applied to pure copper after superfinish turning. Good agreement was found between numerical values and experimental ones. This paper also presents a work on the impact of mechanical and microstructural changes induced by machining on the electrochemical behaviour and corrosion …
Size control of InAs∕InP(001) quantum wires by tailoring P∕As exchange
2004
The size and emission wavelength of self-assembled InAs∕InP(001) quantum wires (QWrs) is affected by the P∕As exchange process. In this work, we demonstrate by in situ stress measurements that P∕As exchange at the InAs∕InP interface depends on the surface reconstruction of the InAs starting surface and its immediate evolution when the arsenic cell is closed. Accordingly, the amount of InP grown on InAs by P∕As exchange increases with substrate temperature in a steplike way. These results allow us to engineer the size of the QWr for emission at 1.3 and 1.55 μm at room temperature by selecting the range of substrate temperatures in which the InP cap layer is grown.
Increasing Nanoparticles’ Refractive Index Sensitivity
2012
Since the plasmon resonance of nanoparticles depends on the refractive index of the immediate environment, these particles form the basis of many sensing schemes . The sensitivity of plasmon sensors for the detection of changes in the environment varies greatly and depends on the particle material and its morphology (size and shape). To further increase this sensitivity by chemical modifications was another goal of my work.
The shakedown load boundary of an elastic-perfectly plastic structure
1995
In the hypothesis of small displacements and combined time-variable/steady loads, the geometrical-mechanical properties of the shakedown load boundary are investigated. It is shown that, in the load space, the shakedown load boundary plays the role of yield surface, and that a certain plastic strain accumulation vector—characterizing some impending inadaptation collapse mechanism—obeys the normality rule, whereas a specific form of the maximum plastic work theorem constitutes an effective tool for the evaluation of the shakedown limit load corresponding to a specified inadaptation collapse mode. The equations governing the state of the structure at the shakedown limit are provided and the r…
Microwave-based gas sensor with phthalocyanine film at room temperature
2013
Abstract This work presents the development of a microwave gas sensor at room temperature. The design of the sensor includes a coplanar grounded wave guide where is deposited a molecular gas sensing material. In this study, the sensitive material is a thin layer of cobalt phthalocyanine (CoPc), sensitive to ammonia and toluene. Submitted to an electromagnetic incident wave in the microwave range, the sensor response is a reflected wave. In the presence of pollutant, the reflected wave shape is specific to the species concentrations. The results interpretation is led at each frequency by the evaluation of the reflected coefficient, which traduces the ratio between the reflected wave over the…
Phase Stability of Natural Ni0.75Mg0.22Ca0.03CO3 Gaspeite Mineral at High Pressure and Temperature
2020
[EN] Divalent metal carbonates play an important role in Earth's carbon cycle, but the effect of chemical substitution is still poorly known. In this work, we have studied the structural and vibrational properties of natural mineral gaspeite (Ni0.75Mg0.22Ca0.03CO3) under high pressure and temperature using in situ synchrotron X-ray diffraction and Raman spectroscopy in diamond-anvil cells. These experiments have been complemented by ab initio simulations. Synchrotron high-pressure XRD measurements at room temperature using He as the pressure transmitting medium have shown that the calcite-type structure is stable up to 23.3 GPa. A bulk modulus at zero pressure of B-0 = 105(2) GPa with B-0' …
Determination of water intrusion heat in hydrophobic microporous materials by high pressure calorimetry
2010
International audience; The understanding of interactions between a solid surface and a non-wetting liquid still remains of fundamental interest in numerous research fields, from chemistry to biology. This work focuses on the mechanisms of water intrusion in hydrophobic microporous materials through the thermal analysis of the phenomenon. A specific calorimetric technique coupled to high pressure equipment has been developed to investigate equilibrium thermal effects in such thermodynamic systems from 0 to 400 MPa under isothermal conditions. First validation tests of this method were carried out by compressing degassed water in a constant volume V with successive small pressure increments …
Crystalline-Size Dependence of Dual Emission Peak on Hybrid Organic Lead-Iodide Perovskite Films at Low Temperatures
2018
In this work, we have investigated the crystalline-size dependence of optical absorption and photoluminescence emission of CH3NH3PbI3 films, which is necessary to identify the potential practical applications of the gadgets based on perovskite films. This study was carried out at low temperatures to minimize the extra complexity induced by thermal effects. The purpose was to clarify the origin of the dual emission peak previously reported in the literature. We found that the grain size is responsible for the appearance or disappearance of this dual emission on CH3NH3PbI3 at low temperatures, whereas we have inferred that the thickness of the perovskite layer is a much more important factor …