Fracture toughness plays an important role in materials design. Along with numerous experimental methods to measure the fracture toughness of materials, its understanding and theoretical prediction are very important. However, theoretical prediction of fracture toughness is challenging. By investigating the correlation between fracture toughness and the elastic properties of materials, we have constructed a fracture toughness model for covalent and ionic crystals. Furthermore, by introducing an enhancement factor, which is determined by the density of states at the Fermi level and atomic electronegativities, we have constructed a universal model of fracture toughness for covalent and ionic crystals, metals, and intermetallics. The predicted fracture toughnesses are in good agreement with experimental values for a series of materials. All the ingredients of the proposed model of fracture toughness can be obtained from first-principles calculations or from experiments, which makes it suitable for practical applications.
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14 February 2019
Research Article|
February 13 2019
Simple and accurate model of fracture toughness of solids
Special Collection:
Ultra-Hard Materials
Haiyang Niu;
Haiyang Niu
a)
1
Department of Geosciences and Center for Materials by Design, Institute for Advanced Computational Science, State University of New York
, Stony Brook, New York 11794-2100, USA
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Shiwei Niu;
Shiwei Niu
b)
2
College of Mining and Safety Engineering, Shandong University of Science and Technology
, Qingdao 266590, China
3
Mining Technology Institute, Taiyuan University of Technology
, Taiyuan 030024, China
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Artem R. Oganov
Artem R. Oganov
c)
4
Skolkovo Institute of Science and Technology, Skolkovo Innovation Center
, 4 Nobel Street, Moscow 143026, Russia
5
Moscow Institute of Physics and Technology
, 9 Institutsky Lane, Dolgoprudny 141700, Russia
6
International Center for Materials Discovery, Northwestern Polytechnical University
, Xi’an 710072, China
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Note: This paper is part of the Special Topic on: Ultra-Hard Materials.
J. Appl. Phys. 125, 065105 (2019)
Article history
Received:
October 14 2018
Accepted:
November 27 2018
Citation
Haiyang Niu, Shiwei Niu, Artem R. Oganov; Simple and accurate model of fracture toughness of solids. J. Appl. Phys. 14 February 2019; 125 (6): 065105. https://doi.org/10.1063/1.5066311
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