Molecular Dynamics of Yukawa System using the Fast Multipole Method

In order to perform the large-scale molecular dynamics simulation of the Yukawa system, a mathematical expression for molecular dynamics using the fast multipole method is described. The model simulations are also performed to test the performance of our implementation of the FMM

Structure of Dusty Plasma under Microgravity

The structure of dust particles in dusty plasmas under microgravity has been analyzed by molecular dynamics simulation. The charge neutrality condition satisfied by the system composed of dust particles and ambient plasma is properly taken into account. It is shown that dust particles form shell structures at low temperatures and the number of shells are obtained as a phase diagram in the plane of two parameters characterizing the system: the number of particles and the strength of screening. It is also shown that these structures are almost independent of the strength of screening

Nonorthogonal Tight-Binding Molecular Dynamics for Si(1-x)Ge(x) Alloys

We present a theoretical study of Si(1-x)Ge(x) alloys based on tight-binding molecular dynamics (TBMD) calculations. First, we introduce a new set of nonorthogonal tight-binding parameters for silicon and germanium based on the previous work by Menon and Subbaswamy [Phys. Rev. B 55, 9231 (1997); J. Phys: Condens. Matter 10, 10991 (1998)]. We then apply the method to structural analyses of Si(1-x)Ge(x) alloys. The equilibrium volume and atomic structure for a given x are obtained by the TBMD method. We also calculate the bulk modulus B, elastic constants C(11), C(12) and C(44) as a function of x. The results show that the moduli vary monotonically, but nonlinearly, between the values of Si crystal and Ge crystal. The validity of the results is also discussed

Design and Robustness Evaluation of Valley Topological Elastic Wave Propagation in a Thin Plate with Phononic Structure

Based on the concept of band topology in phonon dispersion, we designed a topological phononic crystal in a thin plate for developing an efficient elastic waveguide. Despite that various topological phononic structures have been actively proposed, a quantitative design strategy of the phononic band and its robustness assessment in an elastic regime are still missing, hampering the realization of topological acoustic devices. We adopted a snowflake-like structure for the crystal unit cell and determined the optimal structure that exhibited the topological phase transition of the planar phononic crystal by changing the unit cell structure. The bandgap width could be adjusted by varying the length of the snow-side branch, and a topological phase transition occurred in the unit cell structure with threefold rotational symmetry. Elastic waveguides based on edge modes appearing at interfaces between crystals with different band topologies were designed, and their transmission efficiencies were evaluated numerically and experimentally. The results demonstrate the robustness of the elastic wave propagation in thin plates. Moreover, we experimentally estimated the backscattering length, which measures the robustness of the topologically protected propagating states against structural inhomogeneities. The results quantitatively indicated that degradation of the immunization against the backscattering occurs predominantly at the corners in the waveguides, indicating that the edge mode observed is a relatively weak topological state

FDTD Analysis on Optical Connement Structurewith Electromagnetic Metamaterial

In this paper, we investigate a light-confinement phenomenon in the structure which has triangular latice composed of Double NeGative Metamaterial (DNGM). In geometrical optics consideration, this structure is expected to confine lights completely by sequential refractions in the structure. We demonstrate it by using the two dimensional finite-difference time-domain simulations. We introduce Drude-Lorentz model for dielectric and magnetic dispersion of the material at optical frequencies. We analyze quantitatively the effects of energy loss in the DNGM on the light-confinement efficiency

Numerical Simulation of Acoustic Waves in a Two-Dimensional Phononic Crystal: Negative Refraction

The lens effect of acoustic waves in a two-dimensional (2D) phononic crystal is studied by numerical simulation based on the finite-difference time-domain (FDTD) method. We calculate the phonon band structure of 2D phononic crystals, consisting of metal cylinders placed periodically in water. Lens effect is observed by the negative refraction of acoustic waves, which results in refocusing of the waves at the point outside the crystal. To increase the focal intensity, we introduce a 2D phononic crystal shield with a different composition of material, which returns the incident waves back to the lens via the perfect reflection. Also, the dependence on filling fraction of metal in the crystal is studied

Design of non-circular membranes metasurfaces for broadband sound absorption

Acoustic metasurfaces have been attracting much attention due to their effectiveness in controlling sound wave propagation despite a structure well below the wavelength at operating frequency. We propose a novel decorated membrane resonator structure with multiple circular membranes leading to multiplexing the resonant modes through breaking symmetry of the membrane's vibrational modes. By numerical analysis, the structure is optimized for wideband (500 to 1500 Hz) sound absorption. The designed structure is fabricated by using a 3D printer and its sound absorption property is verified experimentally by an impedance tube measurement. The results demonstrate that the present approach is simple but effective to broadband sound absorption with thin and lightweight artificial acoustic structures

Dispersion Models and Electromagnetic FDTD Analyses ofNanostructured Metamaterials using Parallel Computer

Metamaterial which has negative permittivity and permeability is investigated via computer simulations. Effects of the nanostructure on dielectric and magnetic properties of the material are taken into account by introducing the Drude-Lorentz model in the materials dispersion. We include multi-band process in the dielectric response in order to reproduce accurately experimental values of bulk Au thin film. Size effect on the dispersion is examined by comparing the model with that of a noble metal particle. Based on the dispersion model constructed, we analyze the electromagnetic response of nanostructured metamaterials to evanescent waves at microwave and optical frequencies via finite-difference time-domain simulatioins on parallel computer. A re- focusing and an amplification of the evanescent waves propagating through a metamaterial, consisting of metal slab/vacuum stacking, is demonstrated for the frequencies of 30GHz and 744THz

Structure of spherical Yukawa clusters: A model for dust particles in dusty plasmas in an isotropic environment

The structure of spherical clusters composed of Yukawa particles is analyzed by molecular dynamics simulations and theoretical approaches as a model for dust particles in dusty plasmas in the isotropic environment. The latter condition is expected to be realized under microgravity or by active cancellation of the effect of gravity on the ground. It is found that, at low temperatures, Yukawa particles form spherical shells and, when scaled by the mean distance, the structure is almost independent of the strength of screening including the case of the Coulomb interaction. The positions and populations of shells and the conditions for the change of the number of shells are expressed by simple interpolation formulas. Shells have an approximately equal spacing close to that of triangular lattice planes in the bulk close-packed structures. It is shown that, when the cohesive energy in each shell is properly taken into account, the shell model reproduces the structure of spherical Yukawa clusters to a good accuracy.</p

Large-Scale Molecular Dynamics Simulation of CoulombClusters: A Finite-Temperature Analysis

Thermal behavior of Coulomb clusters in a three dimensional confining potential is investigated by molecular dynamics simulations for system sizes of 1,000 to 20,288 ions. The specific heat of the system of shell-structured 20,000 ions is peaked almost at the same temperature as the system of bcc-structured 20,288 ions with much sharper structure for the latter. The diffusion coefficient and the peak to valley ratio of the two-dimensional pair distribution function on the outermost shell are obtained both as a function of temperature. The rotational movement of each shell in the system of 104 ions is observed