Morphology- and dehydrogenation-controlled mechanical properties in diamond nanothreads
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DOI: 10.1016/j.carbon.2017.08.015
Abstract: Abstract Recently synthesized diamond nanothreads (DNTs), collecting desired properties of both inorganic nanostructures and hydrocarbon molecular structures, are an interesting group of carbon-based materials. Using full atomistic first-principles based ReaxFF molecular dynamics (MD) simulations, a… read more here.
Keywords: dehydrogenation; morphology dehydrogenation; diamond nanothreads; bending stiffness ... See more keywords