Work

Modelling of surface energies of elemental crystals

Year: 2004

Type: article

Abstract: A simple formula without any free parameter is established to estimate surface energies of elemental metals of low-index surfaces, which is developed by modifying the classic broken-bond rule. The predicted results of the formula for 52 A1–A4 and sc elemental crystals are in agreement with experimental results and the first-principles calculations although deviations are present for several divalent sp metals.

Source: Journal of Physics Condensed Matter

DOI: 10.1088/0953-8984/16/4/001

Authors: Q Jiang, H M Lu, M Zhao

Institutions: Jilin University, Key Laboratory of Automobile Materials, Ministry of Education, Jilin University

Language: English

Topic: Thermodynamic and Structural Properties of Metals and Alloys

Subfield: Metals and Alloys

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

Funder: National Natural Science Foundation of China

Award: G1375338393