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Fundamental studies of atomic diffusion by computer simulation of atomic processes on the giga event scale and multiple PC's in parallel

The classic treatment of diffusion by Einstein and by Chandrasekhar assumed
conservative boundary conditions; mobile species were neither created nor destroyed
on the sample surface. It is normal to assume that vacancies and host interstitials are
created and annihilated on incoherent interfaces or free surfaces; i.e., these are
assumed to be perfect sources and sinks. Impurities may also be gained or lost at an
interface. It seems that no analytic solutions are available for diffusion with
annihilating boundary conditions. In this thesis, the author presents massive data
obtained by giga event Monte Carlo simulation of the macro-consequence of atomic
level assumptions using VIDSIM, a computer simulation program for the simulation
of point defect diffusion and interaction in diamond and zinc-blend structure crystals.
The author contrasts these results with the error function complement (ERFC) forms
obtained with conservative boundary conditions. An empirical formula is proposed
with the help of DF_FIT, a fitting program developed by the author to conduct the
statistical analysis and fitting the experimental data to certain functions typical for
diffusion processes. Investigations on the redistributions of impurities in an atomiclayer-
doped (ALD) host materials such as Si is reported. Asymmetric diffusion of
ALD impurities is observed and demonstrated. / Graduation date: 1993

Identiferoai:union.ndltd.org:ORGSU/oai:ir.library.oregonstate.edu:1957/36605
Date11 June 1992
CreatorsZhang, Qiongshan
ContributorsVan Vechten, James A.
Source SetsOregon State University
Languageen_US
Detected LanguageEnglish
TypeThesis/Dissertation

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