Computer Simulation of Surface Phenomena


CSP - ITDC-240

Keywords: microelectronics, simulation, porous media, adsorption, parallel processing


Start Date: 1 July 95 / Duration: 32 months

[ participants / contact]


Objectivies and Approach

Surface phenomena like molecular reactions on metals (catalysis), corrusion, growth of polycrystaline films, growth of thin epitaxial films, adsorption and surface diffusion of gases on porous solids, etc., play a fundamental role in a number of processes relevant to the microelectronics and computer industry, the petrochemical industry, metallurgical industries and others. These phenomena have been intensively studied in the past, from both experimental and theoretical approaches. However, in the last ten years it has become clear that computer simulation of these phenomena is capable of contributing to our understanding. The purpose of the present project is to continue the research work in Computer Simulation of Surface Phenomena, done by the group in the last ten years. Fifteen researchers and graduate students will be working on projects which develop along four research lines: Criticality in Surface Phenomena, Heterogeneous Surfaces, Molecular Surface Reactions and Porous Media.

Progress and Results

The kinetics of the annihilation reaction has been studied on correlated heterogeneous surfaces. Dimer deposition processes were studied in the cases of hot dimers on a one-dimensional contiuum and rigid dimers on fractal surfaces. The jamming density revealed new interesting features in both cases. The behaviour of diffusion coefficients was obtained for adsorbates on correlated heterogeneous surfaces, showing how these are strongly affected by surface energetic topography, even in the case of non-interacting particles. Adsorption on correlated heterogeneous surfaces was studied by means of the energetic structure of adsorbed particles. Methods for the characterisation of porous structures were developed.

Invasion percolation in correlated site-bond porous network was studied.

Information Dissemination Activities and/or Exploitation

Results of the project were presented at international conferences. A list of over three publications may be acquired from the coordinator.

Presentations were also made through seminars delivered at Pennsylvania State University, USA, November 1995 and at University of Rome, Italy, September 1996.


Coordinator

Department of Physics
University of San Luis
Chacabuco 917
5700 San Luis, AR

EU Partners

Parsytec GmbH, D

Non-EU Partners

University of San Luis, AR
CONICET, AR

CONTACT POINT

Prof. Victor Pereyra
Tel: +54 652 23 789 int. 128
Fax: +54 652 30 224
E-mail: pereyra@unsl.edu.ar


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CSP - ITDC-240, May 1997


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html version of synopsis by Nick Cook