arXiv subjects

Chern Chuang

Publications and source records attributed to Chern Chuang.

21 records · Page 2Linked to original sources

arXiv2015

Relative Stability and Local Curvature Analysis in Carbon Nanotori

We introduce a concise formalism to characterize nanometer-sized tori based on carbon nanotubes and to determine their stability by combining {\em ab initio} density functional calculations with a continuum elasticity theory approach that requires only shape information. We find that the high strain energy in nanotori containing only hexagonal rings is significantly reduced in nanotori containing also other polygons. Our approach allows to determine local curvature and link it to local strain energy, which is correlated with local stability and chemical reactivity.

cond-mat.mes-hall↗

arXiv2014

Local curvature and stability of two-dimensional systems

We propose a fast method to determine the local curvature in two-dimensional (2D) systems with arbitrary shape. The curvature information, combined with elastic constants obtained for a planar system, provides an accurate estimate of the local stability in the framework of continuum elasticity theory. Relative stabilities of graphitic structures including fullerenes, nanotubes and schwarzites, as well as phosphorene nanotubes, calculated using this approach, agree closely with ab initio density functional calculations. The continuum elasticity approach can be applied to all 2D structures and is particularly attractive in complex systems with known structure, where the quality of parameterized force fields has not been established.

cond-mat.mtrl-sci↗

arXiv2012

Comments on structural types of toroidal carbon nanotubes

We clarify the relationships between the eight structural types of toroidal carbon nanotubes (TCNTs), which can be identified as the eight corners of a cube of structural transformation. The four families with Dnh symmetry can be related by rim rotations, and the same is true for those with Dnd symmetries. These two sets are then connected by horizontal shiftings, thereby completing the cube. Moreover, we further point out that there are five more highly symmetric Dnh structural types that can be derived from performing the generalized Stone-Wales transformatoin on certain TCNTs with Dnh structural types.

physics.atm-clus↗