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We propose an explanation for the recently measured slow fluctuations and ``blinking'' in the surface enhanced Raman scattering (SERS) spectrum of single molecules adsorbed on a silver colloidal particle. We suggest that these fluctuations…
We study the relation between short-time vibrational modes and long-time relaxational dynamics in a kinetically constrained lattice gas with harmonic interactions between neighbouring particles. We find a correlation between the location of…
This paper reports a study of the influence of the step at a silicon surface under an uniaxial tensile stress, using an empirical potential. Our aim was to find conditions leading to nucleation of dislocations from the step. We obtained…
Using lattice QCD, we reveal a fundamental connection between centre vortices and several key features associated with dynamical chiral symmetry breaking and quark confinement. Calculations are performed in pure SU(3) gauge theory using the…
Spherical colloidal crystals (CCs) self-assemble on the interface between two liquids. These 2D structures unconventionally combine local hexagonal order and spherical geometry. Nowadays CCs are actively studied by altering their…
We perform molecular-dynamics simulations of a molecular system in supercooled states for different values of inertia parameters to provide evidence that the long-time dynamics depends only on the equilibrium structure. This observation is…
Metal intercalation into layered topological insulator materials such as the binary chalcogenide Bi2X3 (X=Te or Se) has yielded novel two-dimensional electron-gas physics, phase transitions to superconductivity, as well as interesting…
The ab initio calculation with the density functional theory and plane-wave bases is carried out for stepped Si(111)-2x1 surfaces that were predicted in a cleavage simulation by the large-scale (order-N) electronic structure theory (T.…
This study examines the center of pressure (CoP) movement of rigid pitching swept wings based on prior measurements by (Zhu, Breuer, 2023}. The wings analyzed feature sweep angles of $0^{\circ}$, $10^{\circ}$, and $20^{\circ}$, and are…
The quasistatic approximation is a useful but questionable simplification for analyzing step instabilities during the growth/evaporation of vicinal surfaces. Using this approximation, we characterized in Part I of this work the effect on…
First-principles methods have recently established themselves in the field of photocathode research to provide microscopic, quantum-mechanical characterization of relevant materials for electron sources. While most of the existing studies…
We consider the shape of crystals which are soft in the sense that their elastic modulus $\mu$ is small compared to their surface tension $\gamma$, more precisely $ \mu a < \gamma$ where $a$ is the lattice spacing. We show that their…
In this paper we use molecular dynamics (MD) to answer a classical question: how does the surface tension on a liquid/gas interface appear? After defining surface tension from the first principles and performing several consistency checks,…
The structural relaxation of amorphous materials is described as arising from the superposition of elementary processes with varying activation energies. We show that it is possible to obtain the kinetic parameters of these processes from…
We present a novel experiment on interfacial wave dynamics in orbitally shaken cylindrical vessels containing two- and three fluid layers. The experiment was designed as a hydrodynamical model for both alu- minum reduction cells and liquid…
It is shown that coherent scatterings by an ordered vortex lattice are critically enhanced for quasi particles moving in cyclotron orbits on the Fermi surface through vortex core regions, thus generating significant quasi-periodic…
We have performed orbital free ab initio molecular dynamics simulations in order to study the thermal behaviour of two open surfaces of solid metallic systems, namely the (110) face of fcc Al and the (10-10) face of hcp Mg. Our results…
Chemisorption of CO on the stepped Cu(211) surface is studied within ab-initio density functional theory (DFT) and scanning tunneling microscopy (STM) imaging as well as manipulation experiments. Theoretically we focus on the experimentally…
Scattering of electronic waves in square and triangular lattice half-planes by a step on the surface is analyzed using the nearest-neighbour tight binding approximation. The changes in lattice spacing and the transfer integral between…
With a generic lattice model for electrons occupying a semi-infinite crystal with a hard surface, we study the eigenstates of the system with a bulk band gap (or the gap with nodal points). The exact solution to the wave functions of…