Related papers: Compressive sensing lattice dynamics. I. General f…
Intense ultrafast laser excitation can produce transient states of condensed matter that would otherwise be inaccessible. At high excitation level, the interatomic forces can be altered resulting in an unusual lattice dynamics. Here we…
We present classical and quantum mechanical descriptions of lattice dynamics, from the atomic to the continuum scale, using atomic scale symmetry modes and their constraint equations. This approach is demonstrated for a one-dimensional…
We present the first $ab$-$initio$ study of superconductivity in NbTi, the workhorse for many applications. Despite its apparent simplicity, NbTi turns out to be a major challenge for computational superconductivity. In fact, anharmonic…
A fully anisotropic simple-cubic Ising lattice in the geometry of periodic cylinders $n\times n\times\infty$ is investigated by the transfer-matrix finite-size scaling method. In addition to the previously obtained critical amplitudes of…
The vibrational spectra of CdSe/CdS superlattices (SLs) with different layer thicknesses are calculated from first principles within the density functional theory. It is shown that, along with folded acoustic and confined optical modes, a…
We present a novel asymptotic-preserving semi-implicit finite element method for weakly compressible and incompressible flows based on compatible finite element spaces. The momentum is sought in an $H(\mathrm{div})$-conforming space,…
Compressive sensing (CS) exploits the sparsity present in many signals to reduce the number of measurements needed for digital acquisition. With this reduction would come, in theory, commensurate reductions in the size, weight, power…
Lattice Boltzmann simulations have been very successful in simulating liquid-gas and other multi-phase fluid systems. However, the underlying second order analysis of the equation of motion has long been known to be insufficient to…
We present the ab-initio thermoelastic properties of body-centered cubic molybdenum under extreme conditions obtained within the quasi-harmonic approximation including both the vibrational and the electronic thermal excitations…
The paper contains an application of the generalized lattice model to multicomponent systems with internal degrees of freedom. The short-range inter-atomic repulsions and smooth long-range parts of the inter-atomic potentials are considered…
Small displacement methods have been successfully used to calculate the lattice dynamical properties of crystals. It involves displacing atoms by a small amount in order to calculate the induced forces on all atoms in a supercell for the…
The experimental properties of intrinsic localized modes (ILM) have long been compared with theoretical dynamical lattice models that make use of nonlinear onsite and/or nearest neighbor intersite potentials. Here it is shown for a 1-D…
In this paper we propose a particular description of meson spectroscopy, with emphasis in heavy bound states like charmonia and bottomonia, after working on the main aspects of the construction of an effective potential model. We use the…
Compressive sensing (CS) is a promising technology for realizing energy-efficient wireless sensors for long-term health monitoring. In this paper, we propose a data-driven CS framework that learns signal characteristics and individual…
The interplay of electronic and nuclear degrees of freedom presents an outstanding problem in condensed matter physics and chemistry. Computational challenges arise especially for large systems, long time scales, in nonequilibrium, or in…
Amorphous solids, as well as many disordered lattices, display remarkable universality in their low temperature acoustic properties. This universality is attributed to the attenuation of phonons by tunneling two-level systems (TLSs),…
We present a new kinetic model and its lattice Boltzmann realization for the simulation of compressible, non-ideal fluid flows. The method employs first-neighbour lattices and introduces a consistent set of correction terms constructed via…
We extend the ab initio molecular dynamics (AIMD) method based on density functional theory to the nonequilibrium situation where an electronic current is present in the electronic system. The dynamics is treated using the semi-classical…
A non-perturbative algebraic theory of lattice Boltzmann method is developed based on a symmetry of a product. It involves three steps: (i) Derivation of admissible lattices in one spatial dimension through a matching condition which…
We present an alternative "encapsulated" formulation of the Selective Frequency Damping method for finding unstable equilibria of dynamical systems, which is particularly useful when analysing the stability of fluid flows. The formulation…