相关论文: Rack-and-pinion effects in molecular rolling frict…
Molecular nanomagnets show clear signatures of coherent behavior and have a wide variety of effective low-energy spin Hamiltonians suitable for encoding qubits and implementing spin-based quantum information processing. At the nanoscale,…
The peculiarities of coherent spin radiation by magnetic nanomolecules is investigated by means of numerical simulation. The consideration is based on a microscopic Hamiltonian taking into account realistic dipole interactions.…
Collisions between amorphous Fe nanoparticles were studied using molecular-dynamics simulation. For head-on collisions of nanoparticles with radii $R =$ 1.4 nm, $R =$ 5.2 nm, and $R =$ 11 nm, sticking was observed at all simulated…
The static friction between crystalline surfaces separated by a molecularly thin layer of adsorbed molecules is calculated using molecular dynamics simulations. These molecules naturally lead to a finite static friction that is consistent…
It is widely admitted that the helical conformation of certain chiral molecules may induce a sizable spin selectivity observed in experiments. Spin selectivity arises as a result of the interplay between a helicity-induced spin-orbit…
The rotational Brownian motion of colloidal spheres in dense suspensions reflects local hydrodynamics and friction, both key to non-linear rheological phenomena such as shear-thickening and jamming, and transport in crowded environments,…
In atoms spin-orbit coupling (SOC) cannot raise the angular momentum above a maximum value or lower it below a minimum. Here we show that this need not be the case in materials built from nanoscale structures including multi-nuclear…
Friction between ordered, atomically smooth surfaces at the nanoscale (nanofriction) is often governed by stick-slip processes. To test long-standing atomistic models of such processes, we implement a synthetic nanofriction interface…
Spin dynamics of assemblies of magnetic nanomolecules and nanoclusters can be made coherent by inserting the sample into a coil of a resonant electric circuit. Coherence is organized through the arising feedback magnetic field of the coil.…
Recent highly idealized model studies of lubricated nanofriction for two crystalline sliding surfaces with an interposed thin solid crystalline lubricant layer showed that the overall relative velocity of the lubricant $v_{\rm lub} / v_{\rm…
We investigate by Molecular-Dynamics simulations the fast mobility - the rattling amplitude of the particles temporarily trapped by the cage of the neighbors - in mildly supercooled states of dense molecular (linear trimers) and atomic…
The contribution of sliding-induced, atomic-scale instabilities to the kinetic friction force is investigated by molecular dynamics. For this purpose, we derive a relationship between the kinetic friction force $F_{\rm k}$ and the…
We present Molecular Dynamics simulations of one- and two-dimensional bead-spring models sliding on incommensurate substrates. We investigate how sliding friction is affected by interaction anharmonicity and structural defects. In their…
We show that quantum rotational wavepacket dynamics in molecules can be described by a new system-environment model, which consists of a rotational subsystem coupled to a magnetically tunable spin bath formed by the nuclear spins within the…
The wear-driven structural evolution of nanocrystalline Cu was simulated with molecular dynamics under constant normal loads, followed by a quantitative analysis. While the microstructure far away from the sliding contact remains unchanged,…
We perform molecular dynamics simulations for a simple coarse-grained model of crambin placed inside of a softly repulsive sphere of radius R. The confinement makes folding at the optimal temperature slower and affects the folding…
Cold collisions of ground state oxygen molecules with Helium have been investigated in a wide range of cold collision energies (from 1 $\mu$K up to 10 K) treating the oxygen molecule first as a rigid rotor and then introducing the…
Ring, or cyclic, polymers have unique properties compared to linear polymers, due to their topologically closed structure that has no beginning or end. Experimental measurements on molecular ring polymers are challenging due to their…
Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the…
Nanoparticles with different surface morphologies that straddle the interface between two immiscible liquids are studied via molecular dynamics simulations. The methodology employed allows us to compute the interfacial free energy at…