Search results for "THERMODYNAMICS"
showing 10 items of 2774 documents
On the significance of molecular surfaces and thermodynamic interactions for the excess viscosities of liquid mixtures
1994
The viscosities η of homogeneous binary mixtures of liquids are usually approximated as In η = ϕ1 In η1 + ϕ2 In η2 where ϕi and ηi are the volume fractions and the viscosities, resp., of the i-th pure substance; the behavior of real systems is then discussed in terms of Δ In η, the deviations from the above reference behavior. Here a semi-empirical approach is presented according to which volume fractions are replaced by the surface fractions Ωi to create a more realistic reference state, and the thermodynamic interaction parameter g is taken into account. The new equation reads (expressing it for practical purposes still in the terms of ϕi) γ is a geometric factor, measuring the difference…
Light source inner surface changes depending on treatment
2008
Our work is connected with the preparation of different type of electrodeless discharge lamps. In this work we investigate the influence of the SiO2 glass wall treatment procedures on the inner surface of the electrodeless lamps. Three different treatment procedures were applied: vacuum cleaning, vacuum-thermal cleaning and training in the high frequency discharge. The surface modification has been investigated by means of atomic force microscopy. Substantial changes of the SiO2 glass surface have been observed. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Surface segregation trends in transition metal alloys
2013
In this work, we revisit the problem of predicting the surface segregation trends in binary transition metal alloys from the knowledge of the basic features of the pure component $d$-band electronic structure within tight-binding approximation. In contrast to previous trend studies, the present one includes, within the fourth-moment approximation (FMA) of the tight-binding scheme, both the difference in the average band energies (diagonal disorder) and the difference in the band widths (off-diagonal disorder) of the two components. We show that treating on the same footing these two effects is essential for a correct prediction of surface segregation. The presented study, giving a natural l…
Investigation on the influence of the surface resin rich layer on the thermoelastic signal from different composite laminate lay-ups
2006
This work presents a set of experimental results based on the measured thermoelastic signal from GRP composite coupons adopting different lay-ups. A comparison is made with the thermoelastic signal predicted by two different analytical models: one based on the classical law of the thermoelastic effect for orthotropic materials, and the other based on a novel theory accounting for the presence of a resin layer on the external surface of the composite structure. The composite coupons were designed such to determine a significant difference in the predictions made by the two theoretical models. Experimental results have shown a far better match with the predictions based on the novel theory ac…
Improving surface detection on nanoindentation of compliant materials
2010
Nanoindentation is a versatile tool for monitoring mechanical properties on a local scale. Accurate knowledge of a contact area, and therefore an initial contact, is however necessary for translating the force curve into sample mechanical properties. It is shown that methods for sensing an initial contact by depth sensing instruments (DSI) may be severely in error for compliant materials. With the hardware adopted in this work, the threshold is determined by the elastic modulus; hence the error potentially increases if the material becomes more compliant. A simple method is therefore suggested to determine with accuracy the initial contact on compliant materials whereby the surface contact …
Standardization of Methods for Characterizing the Surface Geometry of Solids
2003
Since a comprehensive survey published in 1999 [1] much work was done in standardizing measuring methods to characterize the surface geometry of dispersed and/or porous solids and to certify reference materials. The present paper is an extension of a short communication [2]. It gives a survey on existing standards and reports on new drafts and proposals.
Systematic Error Correction of a 3D Laser Scanning Measurement Device
2011
International audience; Non-contact measurement techniques using laser scanning have the advantage of fast acquiring large numbers of points. However, compared to their contact-based counterparts, these techniques are known to be less accurate. The work presented in this paper aims at improving the accuracy of these techniques through an error correction procedure based on an experimental process that concerns mechanical parts. The influence of the three parameters defining the relative position and the orientation between the sensor and the surface is studied. The process used to build an experimental global model of error is presented and applied to a typical part composed of planes or sk…
A surface hopping algorithm for nonadiabatic minimum energy path calculations
2015
The article introduces a robust algorithm for the computation of minimum energy paths transiting along regions of near-to or degeneracy of adiabatic states. The method facilitates studies of excited state reactivity involving weakly avoided crossings and conical intersections. Based on the analysis of the change in the multiconfigurational wave function the algorithm takes the decision whether the optimization should continue following the same electronic state or switch to a different state. This algorithm helps to overcome convergence difficulties near degeneracies. The implementation in the MOLCAS quantum chemistry package is discussed. To demonstrate the utility of the proposed procedur…
Dynamics of multilayer adsorption: a Monte Carlo simulation
1992
Abstract The growth of an adsorbed film at an initially empty surface which is exposed at time t = 0 to a gas is studied within the framework of a kinetic lattice gas model by Monte Carlo simulation. The model includes an attractive potential V ( z ) between adsorbed particles at distance z from the surface, V(z) = −A z 3 and a nearest-neighbor attractive interaction between the gas atoms. Several choices of the surface potential depth A , corresponding to different sequence of layering transitions, are considered. The Monte Carlo process assumes random evaporation/condensation events of gas atoms in adsorbed layers close to the surface, while surface diffusion is disregarded. For temperatu…
Comment on “Surface diffusion near the points corresponding to continuous phase transitions” [J. Chem. Phys. 109, 3197 (1998)]
1999
It is well known that unlike static equilibrium properties, kinetic quantities in Monte Carlo simulations are very sensitive to the details of the algorithm used for the microscopic transition rates. This is particularly true near the critical region where fluctuations are pronounced. We demonstrate that when diffusion of oxygen adatoms near the order–disorder transition of a lattice-gas model of the O/W(110) model system is studied, the transition rates must be chosen carefully. In particular, we show that the choice by Uebing and Zhdanov [J. Chem. Phys. 109, 3197 (1998)] is inappropriate for the study of critical effects in diffusion.