Tech Front
seen in compressed graphite, has been detected in interstellar dust and has been created in small quantities by researchers. “I have always been interested in the stability of ultimately thin wires of anything and how thin a rod you could make
from a given chemical,” Yakobson said. “We had a paper 10 years ago about silicon in which we explored what happens to silicon nanowire as it gets thinner. To me, this was just a part of the same question.”
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The Rice researchers, led by Rice graduate student Mingjie Liu and post- doctoral researcher Vasilii Artyukhov, set out to detail carbyne with computer models using fi rst-principle rules to determine the energetic interactions of atoms, Artyukhov said. “Our intention was to put it all together, to construct a complete mechanical picture of carbyne as a material,” Artyukhov said. “The fact that it has been observed tells us it’s stable under tension, at least, because otherwise it would just fall apart.” Yakobson said the researchers were surprised to fi nd the band gap in carbyne was so sensitive to twisting. Another fi nding of great interest was the energy barrier that keeps atoms on adjacent carbyne chains from col- lapsing into each other. “When you’re talking about theoretical material, you always need to be careful to see if it will react with itself,” Artyukhov said. “This has never really been investi- gated for carbyne.”
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36
ManufacturingEngineeringMedia.com | January 2014
Rice graduate student Fangbo Xu and former postdoctoral researcher Hoonkyung Lee, now a professor at Konkuk University in South Korea, are co-authors of the paper. The Air Force Offi ce of Scientifi c Research and the Welch Foundation supported the research, and calculations were performed on the National Science Foundation-supported DaVinCI su- percomputer, administered by Rice’s Ken Kennedy Institute for Information Technology. For more information, see
www.rice.edu or read the abstract at
http://tinyurl.com/Carbyne. ME
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