small changes to abstract

diff --git a/posic/publications/sic_prec_merge.tex b/posic/publications/sic_prec_merge.tex
index 9743fb2..f0b85a2 100644 (file)
--- a/posic/publications/sic_prec_merge.tex
+++ b/posic/publications/sic_prec_merge.tex
@@ -36,7 +36,8 @@
 
 \begin{abstract}
 Atomistic simulations on the silicon carbide precipitation in bulk silicon employing both, classical potential and first-principles methods are presented.
 
 \begin{abstract}
 Atomistic simulations on the silicon carbide precipitation in bulk silicon employing both, classical potential and first-principles methods are presented.

-These aime to clarify a controversy concerning the precipitation mechanism as revealed from literature.
+%These aime to clarify a controversy concerning the precipitation mechanism as revealed from literature.
+The calculations aim at a comprehensive, microscopic understanding of the precipitation mechanism in the context of controversial discussions in the literature.

 %
 For the quantum-mechanical treatment, basic processes assumed in the precipitation process are calculated in feasible systems of small size.
 The migration mechanism of a carbon \hkl<1 0 0> interstitial and silicon \hkl<1 1 0> self-interstitial in otherwise defect-free silicon using density functional theory calculations are investigated.
 %
 For the quantum-mechanical treatment, basic processes assumed in the precipitation process are calculated in feasible systems of small size.
 The migration mechanism of a carbon \hkl<1 0 0> interstitial and silicon \hkl<1 1 0> self-interstitial in otherwise defect-free silicon using density functional theory calculations are investigated.


@@ -47,6 +48,7 @@ The formation of structures involving strong carbon-carbon bonds turns out to be
 In contrast, substitutional carbon occurs in all probability.
 A long range capture radius has been observed for pairs of interstitial carbon as well as interstitial carbon and vacancies.
 A rather small capture radius is predicted for substitutional carbon and silicon self-interstitials.
 In contrast, substitutional carbon occurs in all probability.
 A long range capture radius has been observed for pairs of interstitial carbon as well as interstitial carbon and vacancies.
 A rather small capture radius is predicted for substitutional carbon and silicon self-interstitials.

+%

 We derive conclusions on the precipitation mechanism of silicon carbide in bulk silicon and discuss conformability to experimental findings.
 %
 Furthermore, results of the accurate first-principles calculations on defects and carbon diffusion in silicon are compared to results of classical potential simulations revealing significant limitations of the latter method.
 We derive conclusions on the precipitation mechanism of silicon carbide in bulk silicon and discuss conformability to experimental findings.
 %
 Furthermore, results of the accurate first-principles calculations on defects and carbon diffusion in silicon are compared to results of classical potential simulations revealing significant limitations of the latter method.