TCU DEPARTMENT of PHYSICS and ASTRONOMY

 

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TCU Box 298840
Fort Worth, TX 76129
Phone: (817) 257-7375
Fax: (817) 257-7742
Email:physics@tcu.edu

This page maintained
by Kaoru Yoshida


Fall 2007 Seminar Information


Friday December 7th at 1:30 p.m. in SWR 357

Escape in the Strong Quantum Regime

Alejandro Puga
Department of Physics and Astronomy
TCU

Refreshments Served 2:30pm
The Dissertation Oral Examination will follow at 2:45

Sponsor: Dr. Miller


Friday November 30th at 2:00 p.m. in SWR 357

Pre-Dissertation:

Temperature dependence of the positron lifetime in rubber-carbon black composites

Jingyi Wang
Department of Physics and Astronomy
TCU

Sponsor: Dr. Quarles


Thursday November 29th at 1:30 p.m. in SWR 357

Infrared Studies on the Spectra and Structures of Novel Carbon Molecules

Rafael Cardenas
Department of Physics and Astronomy
TCU

Refreshments Served
The Dissertation Oral Examination will follow at 2:45

Sponsor: Dr. Graham


Friday November 9th at 1:30 p.m. in SWR 357

Seminar:

Structure of carbon nanotubes and nanodiamonds – diffraction measurements and molecular dynamics simulations

Aleksander Brodka
Institute of Physics, University of Silesia,
Uniwersytecka 4, 40-007 Katowice, Poland

Abstract:

The neutron and X-ray diffraction data are used to study structure of the carbon nanotubes (CNTs) and nanodiamonds (nDs). The experimental techniques provide quantitative information about structure for the total sample volume that may be helpful for future industrial applications. To interpret the diffraction patterns molecular dynamics (MD) simulations are used. In the calculation the carbon-carbon interaction is represented by the reactive empirical bond order potential. In this method thermal vibrations are inherent property of the system, and calculation of the structure factor does not need the Debye-Waller factor. The experimental neutron and X-ray diffraction data of CNTs synthesized by various methods can be properly described introducing topological defects in the form of the pentagon-heptagon pairs. The simulation method was also used to reproduce results of the X-ray diffraction measurements of commercially available NDs. The structure factor and reduced radial distribution function obtained from MD simulation of nD particles with the shapes of a truncated octahedron and a sphere with an average size of about 2.3 nm, performed at 300 K, match quite well the experimental diffraction data. The obtained results showed diamond-like structure of the nD interior, however, interatomic distances were larger than those for the ideal diamond structure. At the same time rebuilt of the surface structure was observed. Additionally, graphitization process of the nDs with sizes of 2.3 and 3 nm at elevated temperatures up to 1800 K was studied. At lower temperatures, up to 600 K, the nDs had stable structure with diamond-like core and fragments of graphite layers in its outer shell, and at the highest temperature the nDs were transformed into carbon onions. Graphitization process of nDs was observed in temperature range from 1200 to 1500 K, and the transition temperature was higher for larger nD, and lower for nD in the shape of a truncated octahedron. In the latest case breaking of bonds between the neighboring {1,1,1} planes appear not only in the surface shell but also in the nD interior that leads to fast formation of relatively large fragments of graphite planes in the whole nD. Moreover, for nDs in the shape of a truncated octahedron with different sizes MD simulations were performed at temperatures 300 and 340 K. From atom positions we calculated reduced radial distribution functions, that were used to estimate the thermal expansion coefficient. The obtained results showed the decrease of the coefficient with the nD size, and for larger nD the coefficient is close to the value obtained from simulation of bulk diamond.

Sponsor: Dr. Zerda


Friday November 2nd at 1:30 p.m. in SWR 357

The Stellar Content and Star Formation Rates of Dwarf Irregular Galaxies

Jackie Dunn
Department of Physics and Astronomy
TCU

Refreshments Served
The Dissertation Oral Examination will follow at 2:45

Sponsors: Dr. Pamela Marcum
Dr. Mike Fanelli


Thursday November 1st at 4:00 p.m. in SWR 357

High Energy Particle Physics at Rice from Top to Bottom

Michelle Prewitt
Department of Physics and Astronomy
Rice University

Sponsor: Dr. Quarles


Friday September 28th at 1:30 p.m. in SWR 357

Pre-Dissertation:

Dislocations and Planar Defects in Silicon Carbide after High Pressure and High Temperature Sintering

Stephen Nauyoks
Department of Physics and Astronomy
TCU

Sponsor: Dr. Zerda


Friday October 12th at 1:30 p.m. in SWR 357

Pre-Dissertation:

Surface Stress Distribution in Diamond Crystals in Diamond-SiC Composites

Monika Wieligor
Department of Physics and Astronomy
TCU

Sponsor: Dr. Zerda


 


Copyright © 2002-06 Magnus Rittby / Kaoru Yoshida; Last Updated: Thursday, November 29, 2007