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Ever since its publication, the Griffith theory is the most widely used criterion for estimating the ideal strength and fracture strength of materials depending on whether the materials contain cracks or not. A Griffith strength limit of ~E/9 is the upper bound for ideal strengths of materials. With the improved quality of fabricated samples and the power of computational modeling, people have recently reported the possibility of exceeding the ideal strength predicted by the Griffith theory. In this study, a new strength criterion was established based on the stable analysis of thermodynamical systems; then first-principles density functional theory (DFT) is used to study the ideal strength of four materials (diamond, c-BN, Cu, and CeO2) under uniaxial tensile loading along the [100], [110], and [111] low-index crystallographic directions. By comparing the ideal strengths between DFT results and the Griffith theory, it is found that the Griffith theory fails in all the four materials. Further analysis of the fracture mechanism demonstrates that the failure of the Griffith theory is because the ideal strength point does not correspond to creating of new surfaces, which is against the Griffith assumption that the crack intrinsically exists all the time; the failure point corresponds to the crack at the start of propagation.
We study the mechanical properties of two-dimensional (2D) boron, borophenes, by first-principles calculations. The recently synthesized borophene with 1/6 concentration of hollow hexagons (HH) is shown to have in-plane modulus C up to 210 N/m and be
Based on the first-principles calculations, we perform an initiatory statistical assessment on the reliability level of theoretical positron lifetime of bulk material. We found the original generalized gradient approximation (GGA) form of the enhance
We note that the social inequality, represented by the Lorenz function obtained plotting the fraction of wealth possessed by the faction of people (starting from the poorest in an economy), or the plot or function representing the citation numbers ag
We present a general prediction scheme of failure times based on updating continuously with time the probability for failure of the global system, conditioned on the information revealed on the pre-existing idiosyncratic realization of the system by
Recent studies showed that hardness, a complex property, can be calculated using very simple approaches or even analytical formulae. These form the basis for evaluating controversial experimental results (as we illustrate for TiO2-cotunnite) and enab