Joint Russian and Bulgarian Academies of Sciences Database of Intermolecular Potentials and Diffusion Coefficients for Components of the CVD Processes in Microelectronics

  title={Joint Russian and Bulgarian Academies of Sciences Database of Intermolecular Potentials and Diffusion Coefficients for Components of the CVD Processes in Microelectronics},
  author={L. R. Fokin and Victor Nikolaevich Popov and A. N. Kalashnikov and Lydia Zarkova and P. S. Pirgov and Ivan Zhelyazkov Petkov},
  journal={International Journal of Thermophysics},
The goal of the database (DB) EPIDIF-JRB is to promote the modeling of gas-phase transport processes in CVD technologies in microelectronics. The transport properties (molecular diffusion coefficients, viscosity, and thermal conductivity) of pure gases and gas mixtures in the temperature range 250 to 2000K and at a pressure <0.1MPa are calculated using (1) the Chapman–Enskog method in binary collision approximation and (2) the three-parameter Lennard–Jones (m–6) intermolecular potentials (IP… 

Interaction potentials of nine quasi-spherical molecules in the database on the transport properties of gases

Experimental data on the second virial coefficient and viscosity are generalized using (m-6) Lennard-Jones potentials with four and three parameters for a group of rarefied gases consisting of

Grand canonical Monte Carlo simulation study of capillary condensation between nanoparticles.

The simulation results show that the specific geometry in the capillary zone, the surface-surface distance, and the saturation ratio are important for determining the onset and broadening of the liquid meniscus.

Prediction of Intermetallic Compounds

The problems of predicting not yet synthesized intermetallic compounds are discussed. It is noted that the use of classical physicochemical analysis in the study of multicomponent metallic systems is

Internet-Accessible Electronic Materials Database System

The Electronic Materials Database System described in this paper incorporates the Diagramma Database (phase diagrams of semiconductor systems) and the Kristall Database (substances with special

Computer information resources of inorganic chemistry and materials science

Basic trends in the development of modern information systems in these areas are highlighted: access to information via the Internet, merging of documental and factual databases, involvement of experts in the evaluation of the data reliability, supplementing databases with information analysis tools on the properties of inorganic substances and materials.



Equilibrium and transport properties of the noble gases and their mixtures at low density

The report contains a set of easy‐to‐program expressions for the calculation of the thermodynamic and transport properties of the five noble gases (He, Ne, Ar, Kr, Xe) and of the 26 binary and


This paper uses results from statistical‐mechanical theory, applied through a combination of an extended principle of corresponding states with some knowledge of intermolecular potentials, to the

Recommended thermophysical data for pure halides and their mixtures obtained by means of an effective isotropic temperature-dependent potential

The results of restoring parameters of heavy globular molecule interactions obtained by means of an isotropic temperature-dependent potential are presented. Tables with recommended values for the

Reference data on the viscosity of rarefied steam at a temperature of 2000 to 2500 K

An extensive array of experimental data on the coefficients of viscosity and self-diffusion of rarefied steam at temperatures ranging from 280 to 1773 K is fitted using relations of molecular kinetic

An isotropic intermolecular potential with temperature dependent effective parameters for heavy globular gases

An isotropic intermolecular potential with effective parameters influenced by the vibrational excitation is proposed for the interaction of heavy globular gases. The effective equilibrium distance

Determination of Diffusion Coefficients from Viscosity Measurements: Effect of Higher Chapman—Enskog Approximations

Numerical calculations based on the higher Chapman—Enskog approximations show that mutual diffusion coefficients calculated from binary mixture viscosity data agree within experimental uncertainty

B Atom

  • Mol. Phys. 30:329 (1997).
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Chemical Transport Reactions. By Harald Schäifer

High Temp . High Press

  • 1996