Related papers: Topological Atomic Displacements, Kirchhoff and Wi…
Sommerfeld shows that the Wien displacement formula implies the existence of Planck's constant.
Topological quantum chemistry (TQC) classifies the topological phases by real-space invariants in which obstructed atomic insulators belong to the trivial case but sometimes show the feature of higher-order topological insulator. Here, for…
Because of the inevitably disordered background, structural defects are not well-defined concepts in amorphous solids. In order to overcome this difficulty, it has been recently proposed that topological defects can be still identified in…
In this investigation, the displacement operator is revisited. We established a connection between the Hermitian version of this operator with the well-known Weyl ordering. Besides, we characterized the quantum properties of a simple…
The dynamical description of correlated nuclear motion is based on a set of coupled equations of motion for the one-body density matrix $\rho (11';t)$ and the two-body correlation function $c_2(12,1'2';t)$, which is obtained from the…
The influence of periodic shear deformation on nonaffine atomic displacements in an amorphous solid is examined via molecular dynamics simulations. We study the three-dimensional Kob-Andersen binary mixture model at a finite temperature. It…
The plasma turbulence as is well known plays crucial role in the processes of plasma dynamics and transport phenomena. It affects both macroscopic plasma behaviour and distribution of particles, and besides suprathermal component of…
Structural heterogeneity of amorphous solids present difficult challenges that stymie the prediction of plastic events, which are intimately connected to their mechanical behavior. Based on a perturbation analysis of the potential energy…
The report deals with classical and quantum descriptions of particles that interact with smooth random potentials, for example ultracold atoms in the dipole potential of an optical speckle pattern. In addition, a discussion of the link…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…
We study the influence of the atomic structure in the vicinity of voids on their growth rate anisotropy. In the first part, we model the atomic structure in the vicinity of nanovoids in Fe and W using the advanced Molecular Statics method.…
We suggest and implement an approach for the bottom-up description of systems undergoing large-scale structural changes and chemical transformations from dynamic atomically resolved imaging data, where only partial or uncertain data on…
In this article the one-dimensional, overdamped motion of a classical particle is considered, which is coupled to a thermal bath and is drifting in a quenched disorder potential. The mobility of the particle is examined as a function of…
Lie-algebraic and quantum-algebraic techniques are used in the analysis of thermodynamic properties of molecules and solids. The local anharmonic effects are described by a Morse-like potential associated with the $su(2)$ algebra. A…
Active matter encompasses different nonequilibrium systems in which individual constituents convert energy into non-conservative forces or motion at the microscale. This review provides an elementary introduction to the role of topology in…
We investigate the role of topology and distortions in the quantum dynamics of magnetic molecules, using a cyclic spin system as reference. We consider three variants of antiferromagnetic molecular ring, i.e. Cr$_8$, Cr$_7$Zn and Cr$_7$Ni,…
Transmission electron microscopy and spectroscopy currently enable the acquisition of spatially resolved spectral information from a specimen by focusing electron beams down to a sub-Angstrom spot and then analyzing the energy of the…
We use molecular dynamics to study the ordering of a nematic liquid crystal around a spherical particle or droplet. Homeotropic boundary conditions and strong anchoring create a hedgehog director configuration on the particle surface and in…
Ionic transport in conventional ionic solids is generally considered to proceed via independent diffusion events or "hops''. This assumption leads to well-known Arrhenius expressions for transport coefficients, and is equivalent to assuming…
In this paper, we investigate periodic vibrations of a group of particles with a dihedral configuration in the plane governed by the Lennard-Jones and Coulomb forces. Using the gradient equivariant degree, we provide a full topological…