Related papers: Compressive sensing lattice dynamics. II. Efficien…
Alloying is widely used as a means to fine-tune the properties of thermoelectric materials by reducing the lattice thermal conductivity. However, the effects of compositional variation on the lattice dynamics of alloy systems are not well…
Confined optical phonons are discussed for a semiconductor nanowire of the Ge (Si)prototype on the basis of a theory developed some years ago. In the present work this theory is adapted to a non polar material and generalized to the case…
Oscillations of atomic Bose-Einstein condensates in a 1D optical lattice with a two-point basis is investigated. In the low-frequency regime, four branches of modes are resolved, that correspond to the transverse in-phase and out-of-phase…
A method is presented for tracing the locus of a specific peak in the frequency response under variation of a parameter. It is applicable to periodic, steady-state vibrations of harmonically forced nonlinear mechanical systems. It operates…
The lattice thermal conductivity ($\kappa$) of two ceramic materials, cerium dioxide (CeO$_2$) and magnesium oxide (MgO), is computed up to 1500 K using first principles and the phonon Boltzmann Transport Equation (PBTE) and compared to…
A double-distribution-function based lattice Boltzmann method (DDF-LBM) is proposed for the simulation of polyatomic gases in the supersonic regime. The model relies on an extended equilibrium state that is constructed to reproduce the…
The low-frequency acoustic-like modes in a pair plasma (electron-positron or pair-ion) is studied by employing a kinetic theory model based on the Vlasov and Poisson's equation with emphasizing the Tsallis's nonextensive statistics. The…
We present a numerical approach to the solution of elastic phonon scattering problems based on a frequency domain decomposition of the atomistic equations of motion and the use of perfectly matched layer or PML boundaries. Unlike MD…
For Y$_2$C$_3$ with a superconducting critical temperature (T$_c$) $\sim$18 K, zone-center imaginary optical phonon modes have been found for the high-symmetry $I$-$43d$ structure due to C dimer wobbling motion and electronic instability…
The transmission of acoustic phonons is an important element in the design and performance of nano-mechanical devices operating in the mesoscopic limit. Analytic expressions for the power transmission coefficient, T, exist only in the…
We report measurements of phonon dispersion in CaC$_6$ using inelastic X-ray and neutron scattering. We find good overall agreement, particularly in the 50 meV energy region, between experimental data and first-principles…
We model and study the problem of localizing a set of sparse forcing inputs for linear dynamical systems from noisy measurements when the initial state is unknown. This problem is of particular relevance to detecting forced oscillations in…
We introduce a novel method for the simulation of the impact scattering in vibrational scanning transmission electron microscopy electron energy loss spectroscopy (STEM-EELS) simulations. The phonon-loss process is modeled by a combination…
Lattice dynamics for several ordered supercells with composition PbMg1/3Nb2/3O (PMN) were calculated with first-principles frozen phonon methods. Nominal symmetries of the supercells studied are reduced by lattice instabilities. Lattice…
Compressive sensing (CS) is a sampling technique designed for reducing the complexity of sparse data acquisition. One of the major obstacles for practical deployment of CS techniques is the signal reconstruction time and the high storage…
It is well known that conventional harmonic lattice dynamics cannot be applied to energetically unstable crystals at 0 K, such as high temperature body centered cubic (BCC) phase of crystalline Zr. Predicting phonon spectra at finite…
Digital video-microscopy measurements are reported of both elastic bandstructures and overdamped phonon decay times in two-dimensional colloidal crystals. Both quantities together allow to determine the friction coefficients along various…
We revisit force evaluation methodologies on rigid solid particles suspended in a viscous fluid and simulated via lattice Boltzmann method (LBM). We point out the non-commutativity of streaming and collision operators in the force…
We study the problem of localizing multiple sources of forced oscillations (FOs) and estimating their characteristics, such as frequency, phase, and amplitude, using noisy PMU measurements. For each source location, we model the input…
We employ the diagrammatic Monte Carlo method based on lattice path-integral representaion of the particle sector and real-space diagrammatics of the phonon sector to study effects of optical phonon dispersion on Bose-Einstein condensation…