Related papers: Atomic mechanisms of self-diffusion in amorphous s…
We consider the asymmetric transmission properties of a Discrete Nonlinear Schr{\"o}dinger type dimer with a saturable nonlinear intersite coupling between the dimer sites, in addition to a cubic onsite nonlinearity and asymmetric linear…
The diffusion of atoms and radicals on interstellar dust grains is a fundamental ingredient for predicting accurate molecular abundances in astronomical environments. Quantitative values of diffusivity and diffusion barriers usually rely…
We have studied diffusion pathways of a silyl radical adsorbed on the hydrogenated Si (100)-(2x1) surface by density-functional theory. The process is of interest for the growth of crystalline silicon by plasma-enhanced chemical vapor…
Sampling viable 3D structures (e.g., molecules and point clouds) with SE(3)-invariance using diffusion-based models proved promising in a variety of real-world applications, wherein SE(3)-invariant properties can be naturally characterized…
Quantum-confined semiconductor structures are the cornerstone of modern-day electronics. Spatial confinement in these structures leads to formation of discrete low-dimensional subbands. At room temperature, carriers transfer among different…
Anderson localization of particles -- the complete halt of wave transport through multiple scattering and phase coherence -- is a paradigmatic manifestation of quantum interference in disordered media. In three dimensions, the scaling…
The squeezing process of a three-dimensional quantum system by use of an external deformed one-body oscillator potential can also be described by the $d$-method, without external field and where the dimension can take non-integer values. In…
Scalar wave propagation across a semi-infinite step or step-like discontinuity on any one boundary of the square lattice waveguides is considered within nearest-neighbour interaction approximation. An application of the Wiener-Hopf method…
Interdiffusion studies conducted in group IVB, VB and VIB metal-silicon systems are discussed in detail to show a pattern in the change of diffusion coefficients with the change in the atomic number of the refractory metal (M) component.…
Quantal diffusion mechanism of nucleon exchange is studied in the central collisions of $^{238}$U + $^{238}$U in the framework of the stochastic mean-field (SMF) approach. For bombarding energies considered in this work, the di-nuclear…
Diffusion rates through a membrane can be asymmetric, if the diffusing particles are spatially extended and the pores in the membrane have asymmetric structure. This phenomenon is demonstrated here via a deterministic simulation of a…
Several static and dynamic properties of liquid silicon near melting have been determined from an orbital free {\em ab-initio} molecular dynamics simulation. The calculated static structure is in good agreement with the available X-ray and…
Donors in silicon, conceptually described as hydrogen atom analogues in a semiconductor environment, have become a key ingredient of many "More-than-Moore" proposals such as quantum information processing [1-5] and single-dopant electronics…
At low temperatures, dynamics in amorphous silicon occurs through a sequence of discrete activated events that locally reorganize the topological network. Using the activation-relaxation technique, a data base containing over 8000 such…
Superdiffusive transport with dynamical exponent $z=3/2$ has been firmly established at finite temperature for a class of integrable systems with a non-abelian global symmetry $G$. On the inclusion of integrability-breaking perturbations,…
Stepped well-ordered semiconductor surfaces are important as nanotemplates for the fabrication of one-dimensional nanostructures which are candidates of intriguing electronic properties. Therefore a detailed understanding of the underlying…
Polymorphic solids of the same chemical composition can have different atomic structures; in each polymorph atoms vibrate around a local potential energy minimum (LPEM). If transformations to other structures have sufficiently high enthalpy…
The structural and electronic properties of amorphous silicon ($a$-Si) are investigated by first-principles calculations based on the density-functional theory (DFT), focusing on the intrinsic structural defects. By simulated melting and…
Diffusion of a tagged particle near a constraining biological surface is examined numerically by modeling the surface-water interaction by an effective potential. The effective potential is assumed to be given by an asymmetric double well…
Shearing granular materials induces non-affine displacements. Such non-affine displacements have been studied extensively, and are known to correlate with plasticity and other mechanical features of amorphous packings. A well known example…