Related papers: Strongly Non-Arrhenius Self-Interstitial Diffusion…
The amorphous aluminium silicate (Al2O3)2(SiO2) [AS2] is investigated by means of large scale molecular dynamics computer simulations. We consider fully equilibrated melts in the temperature range 6100K >= T >= 2300K as well as glass…
Analyzed in this paper are three-dimensional Direct Numerical Simulation (DNS) data obtained from seven statistically planar and one-dimensional, lean complex-chemistry hydrogen-air flames propagating in a box with forced turbulence. The…
Surface tension of small grains and droplets makes them stable only at a much lower temperature than in bulk. This makes spontaneous nucleation unfavorable in many cases. Kinetic approaches are delicate in that one can easily generate…
Using the methods of computer modeling this scientific paper studies the special features of diffusion of the particles subjected to the external periodic force in the crystal lattice. The particle motion is described by a Langevin…
First-principles atomistic molecular dynamics simulation in the micro-canonical and canonical ensembles has been used to study the diffusion of interstitial hydrogen in $\alpha$-iron. Hydrogen to Iron ratios between $\theta=1/16 and 1/2…
Mg$_3$Sb$_2$ is a promising thermoelectric material that consists of nontoxic and earth-abundant elements. We investigate metallic-atom diffusion in Mg$_3$Sb$_2$ by calculating the defect formation energy and the diffusion energy barrier…
The reported diffusion constants for hydrogen in silicon vary over six orders of magnitude. This spread in measured values is caused by the different concentrations of defects in the silicon that has been studied. Hydrogen diffusion is…
Rolling of a small sphere on a solid support is governed by a non-linear friction that is akin to the Coulombic dry fiction. No motion occurs when the external field is weaker than the frictional resistance. However, with the intervention…
Solid-phase epitaxial crystallization of amorphous Si layers on a crystalline Si substrate during B-ion irradiation is investigated over the temperature range 293 - 573 K. Regrowth occurs at all measured temperatures, with activation energy…
Non-Arrhenius grain growth has been observed in a range of polycrystalline materials; however, its fundamental mechanisms, particularly whether the process is thermally activated or exhibits anti-thermally activation, remain controversial.…
Thermal runaway instability induced by material softening due to shear heating represents a potential mechanism for mechanical failure of viscoelastic solids. In this work we present a model based on a continuum formulation of a…
We present the structural and dynamical studies of layered vanadium pentaoxide (V2O5). The temperature dependent X-ray diffraction measurements reveal highly anisotropic and anomalous thermal expansion from 12 K to 853 K. The results do not…
Vanadium dioxide (VO2) transforms from purely monoclinic to purely tetragonal on being heated from 58 deg C to 72 deg C, the transformation being reversible but hysteretic. Electromagnetically, VO2 transforms from a dissipative dielectric…
Motivated by a question about the sensitivity of knots' diffusive motion to the actual sequence of nucleotides placed on a given DNA, here we study a simple model of a sequence-reading diffusion on a stretched chain with a frozen sequence…
Based on recent calculations of the self-diffusion (SD) coefficient in amorphous silicon (a-Si) by classical Molecular Dynamics simulation [M. Posselt, H. Bracht, and D. Radi\'c, J. Appl. Phys. 131, 035102 (2022)] detailed investigations on…
The fundamental insight into Brownian motion by Einstein is that all substances exhibit continual fluctuations due to thermal agitation balancing with the frictional resistance. However, even at thermal equilibrium, biological activity can…
Understanding the retention of hydrogen isotopes in liquid metals, such as lithium and tin, is of great importance in designing a liquid plasma-facing component in fusion reactors. However, experimental diffusivity data of hydrogen isotopes…
When a particle diffuses in a medium with spatially dependent friction coefficient $\alpha(r)$ at constant temperature $T$, it drifts toward the low friction end of the system even in the absence of any real physical force $f$. This…
A roadblock in utilizing InGaAs for scaled-down electronic devices is its anomalous dopant diffusion behavior; specifically, existing models are not able to explain available experimental data on beryllium diffusion consistently. In this…
Recent millimeter and infrared observations have shown that gap and ring-like structures are common in both dust thermal emission and scattered-light of protoplanetary disks. We investigate the impact of the so-called Thermal Wave…