Dresden 2003 – wissenschaftliches Programm

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SYSE: Simulation and experiment

SYSE 2: Poster (gemeinsam mit SYCN und CPP)

SYSE 2.12: Poster

Dienstag, 25. März 2003, 19:00–21:00, ZEU/250

Atomic Scale Simulations of Vapor Phase Condensation — •Paul Erhart and Karsten Albe — Technische Universität Darmstadt, Fachbereich Material- und Geowissenschaften, Petersenstr. 23, 64287 Darmstadt

Chemical vapor synthesis (CVS) [1] is a technique that allows to produce nanoparticles with high crystallinity and grains as small as a few nanometers. These powders usually exhibit a number of interesting properties including excellent sintering behavior. The mechanisms of sinterering as well as particle nucleation and growth, however, are not fully understood, yet. In this contribution we present molecular dynamics simulations on SiC nanoparticle formation using an improved analytic bond-order potential. Results on sintering behavior as well as particle nucleation and growth in an inert gas atmosphere are presented and compared to experiments. The role of thermstats as well as the scaling laws are discussed. [1] M. Winterer, Nano-crystalline Ceramics, Springer (2002)