Related papers: A Surface Stacking Fault Energy Approach to Predic…
Sliding at a quasi-statically loaded frictional interface can occur via macroscopic slip events, which nucleate locally before propagating as rupture fronts very similar to fracture. We introduce a novel microscopic model of a frictional…
We consider a sheared granular system experiencing intermittent dynamics of stick-slip type via discrete element simulations. The considered setup consists of a two-dimensional system of soft frictional particles sandwiched between solid…
Spiking Neural Networks (SNNs), with their event-driven and biologically inspired operation, are well-suited for energy-efficient neuromorphic hardware. Neural coding, critical to SNNs, determines how information is represented via spikes.…
We use density functional theory calculations to characterize the early stages of fluorination of silver's (100) and (110) surfaces. In the Ag(100) surface, the hollow site is the most favorable for F adatoms. In the Ag(110) surface, three…
We study the slippage on hierarchical fractal superhydrophobic surfaces, and find an unexpected rich behavior for hydrodynamic friction on these surfaces. We develop a scaling law approach for the effective slip length, which is validated…
Coarse-grained, metallic materials undergo microstructure refinement during tribological loading. This in turn results in changing tribological properties, so understanding deformation under tribological load is mandatory when designing…
The molecular mechanism of slip at the interface between polymer melts and weakly attractive smooth surfaces is investigated using molecular dynamics simulations. In agreement with our previous studies on slip flow of shear-thinning fluids,…
The localization of slow and fast slip in fault gouges may play a crucial role in understanding the mechanics of earthquakes and slow slip events. Here, we investigate the fracture energy accompanying this localization and the subsequent…
We calculate properties like equilibrium lattice parameter, bulk modulus and monovacancy formation energy for nickel (Ni), iron (Fe) and chromium (Cr) using Kohn-Sham density functional theory (DFT). We compare relative performance of local…
Knowledge on structures and energetics of nanovoids is fundamental to understand defect evolution in metals. Yet there remain no reliable methods able to determine essential structural details or to provide accurate assessment of energetics…
The directed motion of active colloids is governed by spatial variations in surface chemistry and interfacial stress, yet these properties remain extremely difficult to measure directly. We introduce a physics-informed neural network…
Semi-empirical mass formula of the atomic nucleus describe binding energies of the nuclei. In the simple form of this formula, there are five terms related to the properties of the nuclear structure. The coefficients in each terms can be…
We present a thermodynamically robust coarse-grained model to simulate folding of RNA in monovalent salt solutions. The model includes stacking, hydrogen bond and electrostatic interactions as fundamental components in describing the…
Crystal dislocation dynamics, especially at high temperatures, represents a subject where experimental phenomenological input is commonly required, and parameter-free predictions, starting from quantum methods, have been beyond reach. This…
We present a unified framework for the calculation of defect energies for those defects that can be represented as a superposition of isolated dislocations, and obtain both self and interaction energies of combinations of grain boundaries…
Theoretical study of systematics of neutron scattering cross sections on various materials for neutron energies up to several hundred MeV are of practical importance. In this paper, we analysed various cross sections of neutron-nucleus…
The formation of ice in the atmosphere affects precipitation and cloud properties, and plays a key role in the climate of our planet. Although ice can form directly from liquid water at deeply supercooled conditions, the presence of foreign…
Soft materials including elastomers and gels are pervasive in biological systems and technological applications. Whereas it is known that intrinsic fracture energies of soft materials are relatively low, how the intrinsic fracture energy…
GBs evolve by the nucleation and glide of disconnections, which are dislocations with a step character. In this work, motivated by recent success in predicting GB properties such as the shear coupling factor and mobility from the intrinsic…
This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…