Related papers: Dynamical brittle fractures of nanocrystalline sil…
We discovered in simulations of sliding coaxial nanotubes an unanticipated example of dynamical symmetry breaking taking place at the nanoscale. While both nanotubes are perfectly left-right symmetric and nonchiral, a nonzero angular…
In this paper theoretical and statistical/experimental criteria for determining the nanoscale strength of materials are proposed. In particular, quantized criteria in fracture mechanics, dynamic fracture mechanics and fatigue, as well as an…
Ductile fracture of metallic materials typically involves the elastoplastic deformation and associated damaging process. The nonlocal lattice particle method (LPM) can be extended to model this complex behavior. Recently, a distortional…
Extreme localization of damage in conventional brittle materials is the source of a host of undesirable effects. We show how artificially engineered metamaterials with all brittle constituents can be designed to ensure that every breakable…
In spite of remarkable developments in the field of advanced materials, silicon remains one of the foremost semiconductors of the day. Of enduring relevance to science and technology is silicon's nanomechanical behaviour including phase…
A computer simulation technique, suited to replicate real adsorption experiments, was applied to pure simulated silica in order to gain insight into the fractal regime of its surface. The previously reported experimental fractal dimension…
Using a novel high-performance computing implementation of a nonlinear continuum damage breakage model, we explore interactions between 3D co-seismic off-fault damage, seismic radiation, and rupture dynamics. Our simulations demonstrate…
Using a recent continuum model of a single-crystal nanowire morphological evolution in the applied axial electric field, an axisymmetric evolution of a microscopically rough nanowire surface is computed. Morphological evolution results in a…
Strain has a crucial effect on the optical and electronic properties of nanostructures. We calculate the atomistic strain distribution in silicon nanocrystals up to a diameter of 3.2 nm embedded in an amorphous silicon dioxide matrix. A…
Computer simulations suggest that ultrathin metal wires should develop exotic, non-crystalline stable atomic structures, once their diameter decreases below a critical size of the order of a few atomic spacings. The new structures, whose…
The accurate and efficient prediction of crack propagation in dielectric materials is a critical challenge in structural health monitoring and the design of smart systems. This work presents a hybrid modeling framework that combines an…
Highly-deformable materials, from synthetic hydrogels to biological tissues, are becoming increasingly important from both fundamental and practical perspectives. Their mechanical behaviors, in particular the dynamics of crack propagation…
The coupling effects affecting the vibrations of two close nanostructures (e.g., two metal nanoplates or nanospheres separated by a thin dielectric layer) may considerably alter their vibrational eigenfrequencies, as demonstrated by several…
Crystalline to amorphous phase transformation during initial lithiation in (100) silicon-wafers is studied in an electrochemical cell with lithium metal as the counter and reference electrode. It is demonstrated that severe stress jumps…
A kinetic Monte Carlo approach is applied to study physical mechanisms responsible for the breakup of nanowires with the diamond cubic crystal structure into a chain of nanoparticles discovered in preceding experiments on Silicon nanowires.…
This work presents a variational physics-informed deep learning framework for phase-field modelling of brittle crack propagation in anisotropic media. Previous Deep Ritz Method (DRM) approaches have focused on second-order, isotropic…
A combination of reaction-diffusion models with moving-boundary problems yields a system in which the diffusion (spreading and penetration) and reaction (transformation) evolve the system's state and geometry over time. These systems can be…
The wear-driven structural evolution of nanocrystalline Cu was simulated with molecular dynamics under constant normal loads, followed by a quantitative analysis. While the microstructure far away from the sliding contact remains unchanged,…
We investigate the effects of "dynamic structural disorder" (DSD) on the behavior of supported nano-scale catalysts. DSD refers to the intrinsic fluctuating, inhomogeneous structure of such nano-scale systems. In contrast to bulk materials,…
Nanocrystalline metals, i.e. metals with grain sizes from 5 to 50 nm, display technologically interesting properties, such as dramatically increased hardness, increasing with decreasing grain size. Due to the small grain size, direct…