Related papers: Dynamical brittle fractures of nanocrystalline sil…
A brief review of the SIESTA project is presented in the context of linear-scaling density-functional methods for electronic-structure calculations and molecular-dynamics simulations of systems with a large number of atoms. Applications of…
The structural evolution of a nano-powder by repeated dispersion and settling can lead to characteristic fractal substructures. This is shown by numerical simulations of a two-dimensional model agglomerate of adhesive rigid particles. The…
Materials with nanoscale phase separation are considered. These materials are formed by a mixture of several phases, so that inside one phase there exist nanosize inclusions of other phases, with random shapes and random spatial locations.…
Neuromorphic computing systems may be the future of computing and cluster-based networks are a promising architecture for the realization of these systems. The creation and dissolution of synapses between the clusters are of great…
In this letter we address the fragmentation of thin, brittle layers due to the impact of high-velocity projectiles. Our approach is a geometric statistical one, with lines and circles playing the role of cracks, randomly distributed over…
Fractal structures emerge from statistical and hierarchical processes in urban development or network evolution. In a class of efficient and robust geographical networks, we derive the size distribution of layered areas, and estimate the…
Refractory body-centered cubic (BCC) metals and alloys are of extraordinary importance in modern technological and structural applications. However, their wider adoption in science and technology is severely restricted by low-temperature…
We report in situ Atomic Force Microscopy experiments which reveal the presence of nanoscale damage cavities ahead of a stress-corrosion crack tip in glass. Their presence might explain the departure from linear elasticity observed in the…
In this paper, we augment existing techniques for simulating flexible objects to include models for crack initiation and propagation in three-dimensional volumes. By analyzing the stress tensors computed over a finite element model, the…
Cracks, the major vehicle for material failure, tend to accelerate to high velocities in brittle materials. In three-dimensions, cracks generically undergo a micro-branching instability at about 40% of their sonic limiting velocity. Recent…
We report here atomic force microscopy experiments designed to uncover the nature of failure mechanisms occuring within the process zone at the tip of a crack propagating into a silica glass specimen under stress corrosion. The crack…
Numerical modeling of electrodynamic aggregation is carried out for a random ensemble of magnetized nanodust taken as a many body system of strongly magnetized thin rods (i.e., one-dimensional static magnetic dipoles), which possess…
Metallic nanogranular films display a complex dynamical response to a constant bias, showing up as atypical resistive switching mechanism which could be used to create electrical components for neuromorphic applications. To model such a…
We present a novel computational framework to simulate the electromechanical response of self-sensing carbon nanotube (CNT)-based composites experiencing fracture. The computational framework combines electrical-deformation-fracture finite…
We report an ultrafast electron diffraction study of silver nanocrystals under surface plasmon resonance excitation, leading to a concerted fragmentation. By examining simultaneously transient structural, thermal, and Coulombic signatures…
Discontinuous changes in the electronic structure upon infinitesimal changes to the Hamiltonian are demonstrated. Remarkably, these are revealed in one and two electron molecular systems if the realm of the nuclear charge is extended to be…
The structural evolution and dynamics of silver nanodrops Ag${}_{2896}$ (4.4 nm in diameter) during rapid cooling conditions has been studied by means of molecular dynamics simulations and electronic density of state calculations. The…
In this paper we have explored computationally the solidification process of large nickel clusters. This process has the characteristic features of the first order phase transition occurring in a finite system. The focus of our research is…
Brittle fracturing of materials is common in natural and industrial processes over a variety of length scales. Knowledge of individual particle dynamics is vital to obtain deeper insight into the atomistic processes governing crack…
The failure of materials and interfaces is mediated by cracks, nearly singular dissipative structures that propagate at velocities approaching the speed of sound. Crack initiation and subsequent propagation -- the dynamic process of…