Unbinding force of chemical bonds and tensile strength in strong crystals
Creators
- 1. State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)
- 2. Nanjing National Laboratory of Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China)
Description
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.
Availability note (English)
Available from http://dx.doi.org/10.1088/0953-8984/21/48/485405Additional details
Identifiers
- DOI
- 10.1088/0953-8984/21/48/485405;
- PII
- S0953-8984(09)23987-7;
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 21
- Journal Issue
- 48
- Journal Page Range
- [5 p.]
- ISSN
- 0953-8984
- CODEN
- JCOMEL
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 41106474
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- BOND LENGTHS; CHEMICAL BONDS; COORDINATION NUMBER; COVALENCE; CRYSTALS; ELECTRONS; NANOTUBES; TENSILE PROPERTIES; VALENCE
- Descriptors DEC
- DIMENSIONS; ELEMENTARY PARTICLES; FERMIONS; LENGTH; LEPTONS; MECHANICAL PROPERTIES; NANOSTRUCTURES