Related papers: Dynamical brittle fractures of nanocrystalline sil…
Silicon offers great promise as a potential anode active material and the optimum alternative to lithium metal in all-solid-state lithium-ion batteries. However, its practical application is limited by severe volume expansion (~300%) during…
Understanding the fracture mechanisms in composite materials across scales, from nano- to micro-scales, is essential for an in-depth understanding of the reinforcement mechanisms and designing the next generation of lightweight,…
We study the numerical anisotropy existent in compact difference schemes as applied to hyperbolic partial differential equations, and propose an approach to reduce this error and to improve the stability restrictions based on a previous…
When two solids start rubbing together, frictional sliding initiates in the wake of slip fronts propagating along their surfaces in contact. This macroscopic rupture dynamics can be successfully mapped on the elastodynamics of a moving…
Dynamic fracture experiments were performed in PMMA over a wide range of velocities and reveal that the fracture energy exhibits an abrupt 3-folds increase from its value at crack initiation at a well-defined critical velocity, below the…
Atomic-resolution imaging with scanning transmission electron microscopy is a powerful tool for characterizing the nanoscale structure of materials, in particular features such as defects, local strains, and symmetry-breaking distortions.…
Nanometer-sized molecular structures exhibiting mechanical-like switching between discrete states are of great interest for their potential uses in nanotechnology and materials science. Designing such structures and understanding how they…
By modifying and extending recent ideas [C. Seoanez et al., Europhys. Lett. 78, 60002 (2007)], a theoretical framework to describe dissipation processes in the surfaces of vibrating micro- and nanoelectromechanical devices, thought to be…
Using a real-space high order finite-difference approach, we investigate the electronic structure of large spherical silicon nanoclusters. Within Kohn-Sham density functional theory and using pseudopotentials, we report the self-consistent…
We develop an effective model to describe the dynamics of a system of particle moving in circular configurations around a central mass, by considering the continuum limit of the angular distribution, to obtain the stable configurations for…
Amorphous silica ($a-SiO_2$) is a widely used inorganic material. Interestingly, the relationship between the local atomic structures of $a-SiO_2$ and their effects on ductility and fracture is seldom explored. Here, we combine large-scale…
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 present a numerical model for a two dimensional (2D) granular assembly, falling in a rectangular container when the bottom is removed. We observe the occurrence of cracks splitting the initial pile into pieces, like in experiments. We…
From nanoscale devices including sensors, electronics, or biocompatible coatings to macroscale structural, automotive or aerospace components, fundamental understanding of plasticity and fracture can guide the realization of materials that…
Material failure is mediated by the propagation of cracks, which in realistic 3D materials typically involve multiple coexisting fracture planes. Multiple fracture-plane interactions create poorly understood out-of-plane crack structures,…
The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role…
We reveal intrinsic fracture nonreciprocity, manifesting as directional asymmetry in crack resistance, in two-dimensional heterostructures engineered through lattice-mismatched interfaces. Density-functional theory combined with…
The precise mechanisms underlying the failure of multi-phase materials may be strongly dependent on the material's microstructural morphology. Micromechanical modeling has provided much insight into this dependence, but uncertainties remain…
Friction between ordered, atomically smooth surfaces at the nanoscale (nanofriction) is often governed by stick-slip processes. To test long-standing atomistic models of such processes, we implement a synthetic nanofriction interface…
We introduce a general method which allows reconstruction of electronic band structure of nanocrystals from ordinary real-space electronic structure calculations. A comprehensive study of band structure of a realistic nanocrystal is given…