Related papers: Vibrational averages along thermal lines
When the energy content of a resonant mode of a crystalline solid in thermodynamic equilibrium is directly measured, assuming that quantum effects can be neglected it coincides with temperature except for a proportionality factor. This is…
We present a wave function representation for the canonical ensemble thermal density matrix by projecting the thermofield double state against the desired number of particles. The resulting canonical thermal state obeys an imaginary…
The thermal conductivity of several diamond-like materials is calculated from a kinetic-collective model. From this approach, a thermal conductivity expression is obtained that includes a transition from a kinetic (free) to a collective…
Based on thermodynamic principles, we derive expressions quantifying the non-harmonic vibrational behavior of materials, which are rigorous yet easily evaluated from experimentally available data for the thermal expansion coefficient and…
The topological band theory predicts that bulk materials with nontrivial topological phases support topological edge states. This phenomenon is universal for various wave systems and has been widely observed for electromagnetic and acoustic…
Understanding and controlling the flow of heat is a major challenge in nanoelectronics. When a junction is driven out of equilibrium by light or the flow of electric charge, the vibrational and electronic degrees of freedom are, in general,…
We consider the statistical mechanics of a classical particle in a one-dimensional box subjected to a random potential which constitutes a Wiener process on the coordinate axis. The distribution of the free energy and all correlation…
Another way to evaluate the spectral-correlation properties of thermal fields of solids is suggested. Such a method takes into account detailed structure of the interface transition layer separating one bulk region from those of the vacuum…
The low-temperature properties of glasses present important differences with respect to crystalline matter. In particular, models such as the Debye model of solids, which assume the existence of an underlying regular lattice, predict that…
Transition to thermal equilibrium in a uniformly heated two-dimensional harmonic triangular lattice with nearest neighbor interactions is investigated. Initial conditions, typical for molecular dynamics simulations, are considered.…
The kernel of the evolution equation is used to build a mathematical theory of thermal phenomena of gaseous and condensed matter. The group velocity of sound and the molar density are proposed to be its two thermal variables that replace…
Thermal convection is observed in molecular dynamic simulation of a fluidized granular system of nearly elastic hard disks moving under gravity, inside a rectangular box. Boundaries introduce no shearing or time dependence, but the energy…
An efficient sampling method, the pmmLang+RBM, is proposed to compute the quantum thermal average in the interacting quantum particle system. Benefiting from the random batch method (RBM), the pmmLang+RBM reduces the complexity due to the…
Emulating thermal observables on a digital quantum computer is essential for quantum simulation of many-body physics. However, thermalization typically requires a large system size due to incorporating a thermal bath, whilst limited…
We establish an analytical criterion for dynamical thermalization within harmonic systems, applicable to both classical and quantum models. Specifically, we prove that thermalization of various observables, such as particle energies in…
A weakly nonlinear spectrum and a strongly nonlinear spectrum coexist in a statistically steady state of elastic wave turbulence. The analytical representation of the nonlinear frequency is obtained by evaluating the extended self-nonlinear…
The calculation of the heating rate of cold atoms in vibrating traps requires a theory that goes beyond the Kubo linear response formulation. If a strong "quantum chaos" assumption does not hold, the analysis of transitions shows…
The average (thermal) gyroradius of charged particles is re-examined from a quantum-mechanical point of view. The straight quantum-mechanical calculation clearly reproduces its conventionally used random-mean-square (rms) expectation value.…
We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic)…
For the lithium dimer we calculate cross sections for absorption of radiation from the vibrational-rotational levels of the ground X [singlet Sigma g +] electronic state to the vibrational levels and continua of the excited A [singlet Sigma…