相关论文: Fracture of complex metallic alloys: An atomistic …

The cubic $C$15 CaAl$_2$ Laves phase is a crucial brittle intermetallic precipitate in Mg-Al-Ca alloys. Although knowledge of the mechanical properties of coexisting phases is essential for improved alloy design, the fracture toughness is…

Ebert et al. [Phys. Rev. Lett. 77, 3827 (1996)] have fractured icosahedral Al-Mn-Pd single crystals in ultrahigh vacuum and have investigated the cleavage planes in-situ by scanning tunneling microscopy (STM). Globular patterns in the…

We report a clear evidence of atomic fractals in the nonlinear motion of a two-level atom in a standing-wave microcavity. Fractal-like structures, typical for chaotic scattering, are numerically found in the dependencies of outgoing…

Fracture in aluminum alloys with precipitates involves at least two mechanisms, namely, ductile fracture of the aluminum-rich matrix and brittle fracture of the precipitates. In this work, a coupled crystal plasticity-phase field model for…

Growth and structures of crystals in the model of Al obtained in results of isothermal annealing after quick cooling to certain temperatures are studied by the method of molecular dynamics applying the known potential of EAM type. The…

The interaction between cracks, as well as their propagation, in single-crystal aluminum is investigated at the atomic scale using the molecular dynamics method and the modified embedded atom method. The results demonstrated that the crack…

Atomic-resolution electron microscope images show that a quasicrystal is a quasiperiodic packing of clusters. The outer atomic shells of multi-shell clusters occuring in quasicrystals are highly symmetric and rather robust, but some…

The identification of defects in crystal structures is crucial for the analysis of atomistic simulations. Many methods to characterize defects that are based on the classification of local atomic arrangement are available for simple…

This paper focuses on the development of the atomistic framework for determining the lower scale mechanical parameters of single components of a metal matrix composite for final application to a micromechanical damage model. Here, the…

Aluminum alloys, the most widely utilized lightweight structural materials, predominantly depend on coherent complex-structured nano-plates to enhance their mechanical properties. Despite several decades of research, the atomic-scale…

Crack propagation is studied in a two dimensional decagonal model quasicrystal. The simulations reveal the dominating role of highly coordinated atomic environments as structure intrinsic obstacles for both dislocation motion and crack…

Intermetallics, which encompass a wide range of compounds, often exhibit similar or closely related crystal structures, resulting in various intermetallic systems with structurally derivative phases. This study examines the hypothesis that…

The rheological behavior of metallic alloys containing both solid and liquid phases is investigated in the low solid fraction range (<50%). This behavior depends on both the solid fraction and the shear rate. The concept of Effective Volume…

Numerical simulations of concrete fracture performed with a probabilistic mesoscale discrete model are presented. The model represents a substantial part of material randomness by assigning random locations to the largest aggregates. The…

Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…

Understanding, predicting and eventually improving the resistance to fracture of silicate materials is of primary importance to design new glasses that would be tougher, while retaining their transparency. However, the atomic mechanism of…

The striking variation in damage tolerance among refractory complex concentrated alloys is examined through the analysis of atomistic fracture simulations, contrasting behavior in elemental Nb with that in brittle NbMoTaW and ductile…

A coarsened model for a binary system with limited miscibility of components is proposed; the system is described in terms of structural states in small parts of the material. The material is assumed to have two alternative types of…

Special role in computer simulations of supercooled liquid and glasses is played by few general models representing certain classes of real glass-forming systems. Recently, it was shown that one of the most widely used model glassformers --…

A comparative study of fracture in Al is carried out by using quantum mechanical and empirical atomistic description of atomic interaction at crack tip. The former is accomplished with the density functional theory (DFT) based…