Related papers: Parameterization of Stillinger-Weber Potential for…
To reproduce the diamond structure of silicon, double lattice (DL) potential constructed from two interatomic potentials for face centered cubic (fcc) lattice, is proposed for molecular dynamics (MD) simulations. For the validity test of MD…
In this paper I propose a new model for representing the formation energies of multicomponent crystalline alloys as a function of atom types. In the cases when displacements of atoms from their equilibrium positions are not large, the…
A fully planar two-dimensional optomechanical crystal formed in a silicon microchip is used to create a structure devoid of phonons in the GHz frequency range. A nanoscale photonic crystal cavity is placed inside the phononic bandgap…
As a model for a suspension of hard-sphere like colloidal particles where small nonadsorbing dissolved polymers create a depletion attraction, we introduce an effective colloid-colloid potential closely related to the Asakura-Oosawa model…
A simple method for constructing effective Hamiltonians for the 4fN and 4fN-15d energy levels of lanthanide ions in crystals from quantum-chemical calculations is presented. The method is demonstrated by deriving crystal-field and…
We present in detail a technique to extract the potential between a static quark and anti-quark pair from Wilson loops measured on dynamical configurations. This technique is based on HYP smearing and leads to an exponential improvement of…
We investigate wave mixing effects in a phononic crystal that couples the wave dynamics of two channels -- primary and control ones -- via a variable stiffness mechanism. We demonstrate analytically and numerically that the wave…
We derive an analytical expression of a Wigner function that approximately describes the time evolution of the one-dimensional motion of a particle in a nonharmonic potential. Our method involves two exact frame transformations, accounting…
We apply the atom-atom potentials to molecular crystals of iron (II) complexes with bulky organic ligands. The crystals under study are formed by low-spin or high-spin molecules of Fe(phen)$_{2}$(NCS)$_{2}$ (phen = 1,10-phenanthroline),…
We discuss design considerations and the realization of a magnetic double-well potential on an atom chip using current-carrying wires. Stability requirements for the trapping potential lead to a typical size of order microns for such a…
We develop a model to calculate nonlinear polarization in a nondegenerate four-wave mixing in diamond configuration which includes the effects of hyperfine structure and Doppler broadening. We verify the model against the experiment with…
In this paper, we study within the structure of Symplectic Quantum Mechanics a bi-dimensional non-relativistic strong interaction system which represent the bound state of heavy quark-antiquark, where we consider a Cornell potential which…
We consider the time-independent Wigner functions of phase-space quantum mechanics (a.k.a. deformation quantization) for a Morse potential. First, we find them by solving the $\ast$-eigenvalue equations, using a method that can be applied…
We develop an empirical potential for silicon which represents a considerable improvement over existing models in describing local bonding for bulk defects and disordered phases. The model consists of two- and three-body interactions with…
We derive the normal modes for a rotating Coulomb ion crystal in a Penning trap, quantize the motional degrees of freedom, and illustrate how they can by driven by a spin-dependent optical dipole force to create a quantum spin simulator on…
We present measurements of the polarization dependencies of the x-ray signal photons generated by the effect of parametric down-conversion of x rays into ultraviolet radiation. The results exhibit pronounced discrepancies with the classical…
The accuracy of atomistic simulations depends on the precision of force fields. Traditional numerical methods often struggle to optimize the empirical force field parameters for reproducing target properties. Recent approaches rely on…
A fast, parallel algorithm for distant-dependent calculation and simulation of crystal properties is presented along with speedup results and methods of application. An illustrative example is used to compute the Lennard-Jones lattice…
Bilayer graphene has been a subject of intense study in recent years. We extend a structural phase field crystal method to include an external potential from adjacent layer(s), which is generated by the corresponding phase field and changes…
The efforts associated with parametrization of continuum-based models for crystal plasticity are a significant obstacle for the routine use of these models in materials science and engineering. While phenomenological constitutive…