Related papers: Sampling dependent systematic errors in effective …
A general form of a many-body Hamiltonian is considered, which includes an interacting fermionic sub-system coupled to non-interacting extended fermionic and bosonic systems. We show that the exact dynamics of the extended bosonic system…
We propose a feasible and effective approach to study quantum thermal transport through anharmonic systems. The main idea is to obtain an {\it effective} harmonic Hamiltonian for the anharmonic system by applying the self-consistent phonon…
We investigate the anharmonic phonon scattering across a weakly interacting interface by developing a quantum mechanics-based theory. We find that the contribution from anharmonic three-phonon scatterings to interfacial thermal conductance…
The R\'enyi entanglement entropy is calculated exactly for mode-partitioned isolated systems such as the two-mode squeezed state and the multi-mode Silbey-Harris polaron ansatz state. Effective thermodynamic descriptions of the correlated…
A new method to compute the incoherent scattering function of harmonic lattices is introduced. It is based in a saddle point approximation for each term of the phonon expansion, and is simple enough to be used in practice. The method gives…
We provide a theoretical framework for the prediction and interpretation of momentum dependent phonon spectra due to coherent inelastic scattering of electrons. We complete the approach with first principles lattice dynamics using periodic…
This work studies the influence of several compositional effects on thermal and reactive processes. First, the impact of using a fully compositional model in the context of thermal simulations is considered. Detailed phase behavior models…
The light damping hypothesis is usually assumed in structural dynamics since dissipative forces are in general weak with respect to inertial and elastic forces. In this paper a novel numerical method of time integration based on the…
Varying temperatures influence the figure errors of freeform metal mirrors by thermal expansion. Furthermore, different materials lead to thermo-elastic bending effects. The article presents a derivation of a compensation approach for…
In this paper we discuss the entanglement properties of a thermal non-relativistic free bosonic field. We demonstrate how to formally construct spatial modes in order to use a continuous variable separability criterion and show that the…
High harmonics have emerged as a powerful ultrafast probe of phonon dynamics and electron-phonon interactions in solids, with most studies focusing on odd harmonics. Here, in a pump-probe setup with variable delay, we theoretically…
Charmonium dissociation temperatures are studied in a quenched anisotropic lattice QCD with standard plaquette gauge action and O(a) improved Wilson fermion action. Simulations are carried out at temperatures in the range 0.88T_c to 2.3T_c.…
The partition function of an oscillator disturbed by a set of electron particle paths has been computed by a path integral method which permits to evaluate at any temperature the relevant cumulant terms in the series expansion. The time…
Phonon-phonon anharmonic effects have a strong influence on the phonon spectrum; most prominent manifestation of these effects are the softening (shift in frequency) and broadening (change in FWHM) of the phonon modes at finite temperature.…
We derive explicitly the thermal state of the two coupled harmonic oscillator system when the spring and coupling constants are arbitrarily time-dependent. In particular, we focus on the case of sudden change of frequencies. In this case we…
Prediction of lattice thermal conductivity is important to many applications and technologies, especially for high-throughput materials screening. However, the state-of-the-art method based on three-phonon scattering process is bound with…
We apply the theory of high-order harmonic generation by low-frequency laser fields in the strong field approximation to the study of the spatial and temporal coherence properties of the harmonics. We discuss the role of dynamically induced…
We present an \textit{ab initio} framework to calculate anharmonic phonon frequency and phonon lifetime that is applicable to severely anharmonic systems. We employ self-consistent phonon (SCPH) theory with microscopic anharmonic force…
We report first-principles calculations of the phonon dispersion spectrum, thermal expansion, and heat capacity of uranium dioxide. The so-called direct method, based on the quasiharmonic approximation, is used to calculate the phonon…
The diffusion of large databases collecting different kind of material properties from high-throughput density functional theory calculations has opened new paths in the study of materials science thanks to data mining and machine learning…