相关论文: Nonlinear Vibrational Mode of Molecule with Octahe…
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)…
A study of the non linear modes of a two degree of freedom mechanical system with bilateral elastic stop is considered. The issue related to the non-smoothness of the impact force is handled through a regularization technique. In order to…
The paper introduces a technique that decomposes the dynamics of a nonlinear system about an equilibrium into low order components, which then can be used to reconstruct the full dynamics. This is a nonlinear analogue of linear modal…
We investigate a prominent vibrational feature in amorphous silica, the so-called boson peak, by means of molecular dynamics computer simulations. The dynamic structure factor S(q,nu) in the liquid, as well as in the glass state, scales…
We develop a fully quantum mechanical methodology to describe the static properties and the dynamics of a single anharmonic vibrational mode interacting with a quantized infrared cavity field in the strong and ultrastrong coupling regimes.…
We analize two anisotropic atom-atom models used to describe the crystalline alpha,beta and gamma phases of S8 crystals, the most stable compound of elemental sulfur in solid phases, at ambient pressure and T<=400 K. The calculations are…
A classical microscopic theory of rovibrational motion at high angular momenta in symmetrical non-linear molecules AB$_2$ is derived within the framework of small oscillations near the stationary states of a rotating molecule. The…
We study experimentally the nonequilibrium phase behaviour of a horizontal monolayer of macroscopic rods. The motion of the rods in two dimensions is driven by vibrations in the vertical direction. Aside from the control variables of…
Molecular vibrations in solutions, especially OH stretching and bending in water, drive ultrafast energy relaxation and dephasing in chemical and biological systems. We present a machine learning approach for constructing system-bath models…
We show that nontrivial solutions to higher and fractional order equations with certain nonlinearity are radially symmetric and nonincreasing on geodesic balls in the hyperbolic space $\mathbb{H}^n$ as well as on the entire space…
Spontaneous self-assembly of hard convex polyhedra are known to form orientationally disordered crystalline phases, where particle orientations do not follow the same pattern as the positional arrangement of the crystal. A distinct type of…
We study acoustic modes of a close-packed hexagonal lattice of spheres adhered to a substrate, propagating along a high-symmetry direction. The model, accounting for both normal and shear coupling between the spheres and between the spheres…
Truly chiral phonons are lattice eigenmodes that combine broken mirror symmetry with circular atomic motion. They can mediate angular-momentum-selective interactions in quantum materials, yet directly resolving both their chirality and…
The stability of the multiple equilibrium states of a hexagram ring with six curved sides is investigated. Each of the six segments is a rod having the same length and uniform natural curvature. These rods are bent uniformly in the plane of…
We propose a unified approach to nonlinear modal analysis in dissipative oscillatory systems. This approach eliminates conflicting definitions, covers both autonomous and time-dependent systems, and provides exact mathematical existence,…
In this paper, we consider the dynamics of solutions to complex-valued evolutionary partial differential equations (PDEs) and show existence of heteroclinic orbits from nontrivial equilibria to zero via computer-assisted proofs. We also…
The dynamics of non-spherical rigid particles immersed in an axisymmetric random flow is studied analytically. The motion of the particles is described by Jeffery's equation; the random flow is Gaussian and has short correlation time.The…
Symmetry-determined nonlinear normal modes, which describe large-amplitude vibrations of diamond lattice, are studied by specific group-theoretical methods. For two of these modes, corresponding to vibrational state with and without…
We investigate the nonlinear vibration of a fractional viscoelastic cantilever beam, subject to base excitation, where the viscoelasticity takes the general form of a distributed-order fractional model, and the beam curvature introduces…
Nonadiabatic phenomena are investigated in the rovibrational motion of molecules confined in an infrared cavity. Conical intersections (CIs) between vibrational polaritons, similar to CIs between electronic polaritonic surfaces, are found.…