Published December 2, 2009 | Version v1
Journal article

Unbinding force of chemical bonds and tensile strength in strong crystals

  • 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/10.1088/0953-8984/21/48/485405

Additional 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