Simple and accurate model of fracture toughness of solids
arXiv:1805.05820 · doi:10.1063/1.5066311
Abstract
Fracture toughness plays an important role in materials design. Along with numerous experimental methods to measure fracture toughness of materials, its understanding and theoretical prediction is very important. However, theoretical prediction of fracture toughness is challenging. By investigating the correlation between fracture toughness and 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 parameters in the proposed model of fracture toughness can be obtained from first-principles calculations, which makes it suitable for practical applications.
References in corpus (1)
Cited by in corpus (9)
- Origin of high hardness and optoelectronic and thermo-physical properties of boron-rich compounds B6X (X = S, Se): a comprehensive study via DFT approach
- Machine Learning and Evolutionary Prediction of Superhard B-C-N Compounds
- Temperature-dependent elastic properties of binary and multicomponent high-entropy refractory carbides
- Structure, Stability and Mechanical Properties of Boron-Rich Mo-B Phases: A Computational Study
- Coevolutionary search for optimal materials in the space of all possible compounds
- Temperature-dependent mechanical properties of ZrC and HfC from first principles
- A hunt for ultrahard materials
- Discovery of new boron-rich chalcogenides: orthorhombic B6X (X = S, Se)
- Hardness and fracture toughness models by symbolic regression