title: Unbinding force of chemical bonds and tensile strength in strong crystals.
abstract: A model of covalent and ionic bond strength is proposed in terms of the tensile unbinding force by introducing the concept of the effectively bonded valence electron (EBVE) number of a chemical bond. Bond strength proves to be exclusively dependent on two microscopic parameters: bond length and EBVE number. This model allows us to determine bond strength for a variety of crystals and accounts for the observation that a low-coordination number of binding atoms has a tendency to higher bond strength. For crystals of simple structures, we propose linking bond strength to the theoretical tensile strength of a crystal; the latter reproduces the results of first-principles calculations. The model also allows for the assessment of the theoretical tensile strength of graphene and single-walled nanotubes constructed with typical material systems.
authors.affiliation: State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, People's Republic of China.
authors.forename: Xiaoju
authors.initials: X
authors.lastname: Guo
authors.forename: Li-Min
authors.initials: LM
authors.lastname: Wang
authors.forename: Bo
authors.initials: B
authors.lastname: Xu
authors.forename: Zhongyuan
authors.initials: Z
authors.lastname: Liu
authors.forename: Dongli
authors.initials: D
authors.lastname: Yu
authors.forename: Julong
authors.initials: J
authors.lastname: He
authors.forename: Hui-Tian
authors.initials: HT
authors.lastname: Wang
authors.forename: Yongjun
authors.initials: Y
authors.lastname: Tian