相关论文: Vibrational Relaxation at a Metal Surface: Electro…

We analyze the friction force exerted on a small probe particle sliding over an atomic-scale surface by means of a Green-Kubo relation and classical Molecular Dynamics simulations. We find that, on the atomic scale, the friction tensor can…

Electronic current flowing in a molecular electronic junction dissipates significant amounts of energy to vibrational degrees of freedom, straining and rupturing chemical bonds and often quickly destroying the integrity of the molecular…

The surface of a crystal made of roughly spherical molecules exposes, above its bulk rotational phase transition at T= T$_r$, a carpet of freely rotating molecules, possibly functioning as "nanobearings" in sliding friction. We explored by…

FERM3D is a three-dimensional finite element program, for the elastic scattering of a low energy electron from a general polyatomic molecule, which is converted to a potential scattering problem. The code is based on tricubic polynomials in…

Arbitrary waves incident on a solid embedded nanoparticle are studied. The acoustic vibrational frequencies are shown to correspond to the poles of the scattering cross section in the complex frequency plane. The location of the poles is…

3D kinetic-scale turbulence is studied numerically in the regime where electrons are strongly magnetized (the ratio of plasma species pressure to magnetic pressure is $\beta_e=0.1$ for electrons and $\beta_i=1$ for ions). Such a regime is…

We study the coupling of internal electronic excitations to vibrational modes of the external motion of ultracold atoms in an optical lattice. For different ground and excited state potentials the on-site coupling of excitations and…

Interatomic Coulombic Electron Capture (ICEC) is an environment-mediated process in which a free electron attaches to a species by transferring excess energy to a neighbor. While previous theoretical investigations assumed fixed nuclei,…

Nonequilibrium dynamics governed by electron-phonon (e-ph) interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in materials. The real-time Boltzmann transport…

By systematically investigating the relaxation behavior of a model metallic glass based on the extensive molecular dynamics (MD) simulations combined with the dynamic mechanical spectroscopy method, a pronounced ultra-low temperature peak…

The validity of the linear elasticity theory is examined at the nanometer scale by investigating the vibrational properties of silver and gold nanoparticles whose diameters range from about 1.5 to 4 nm. Comparing the vibration modes…

We present calculations of spin-relaxation rates of alkali-metal atoms due to the spin-axis interaction acting in binary collisions between the atoms. We show that for the high-temperature conditions of interest here, the spin relaxation…

We theoretically explore the effect of a transverse electric field on the frictional response of a bi-layer of packed zwitterionic molecules. The dipole-moment reorientation promoted by the electric field can lead to either stick-slip or…

Within the framework of nonrelativistic electrodynamics, general formulas have been obtained for the tangential dissipative force of electrostatic friction and the normal force of attraction to the surface of an axially symmetric probe…

Hybrid ion-atom systems provide an excellent platform for studies of state-resolved quantum chemistry at low temperatures, where quantum effects may be prevalent. Here we study theoretically the process of vibrational relaxation of an…

This paper examines the dynamics of a vibro-impact nonlinear energy sink (VI-NES) using a generalized impact map approach. The study incorporates asymmetry and dry friction, reflecting realistic conditions. The proposed method identifies…

Transport properties of asymmetric molecular structure are studied within the kinetic equation approach, taking into consideration the electron interaction in the self-consistent manner (SCF procedure). The device is made of a molecule…

Within the harmonic approximation, the effects of lattice vibration on the thermodynamics of nano-sized coherent clusters in bcc-Fe consisting of vacancies and/or copper are investigated. A combination of on-lattice simulated annealing…

We introduce two improvements in the numerical scheme to simulate collision and slow shearing of irregular particles. First, we propose an alternative approach based on simple relations to compute the frictional contact forces. The approach…

We report a molecular dynamics study of the contact between a rigid solid with a randomly rough surface and an elastic block with a flat surface. We study the contact area and the interfacial separation from small contact (low load) to full…