Related papers: Improved data analysis for molecular dynamics in l…
We present an optomechanical method for locally measuring the rheological properties of complex fluids in the ultra-high frequency range (UHF). A mechanical disk of microscale volume is used as a small-amplitude oscillating probe that…
Ultracold collisions between spin-polarized Na atoms and vibrationally excited Na_2 molecules are investigated theoretically, using both an inelastic formalism (neglecting atom exchange channels) and a reactive formalism (including atom…
The relaxation dynamics of thermal capillary waves for nanoscale liquid films on anisotropic-slip substrates are investigated, using both molecular dynamics (MD) simulations and a Langevin model. The anisotropy of slip on substrates is…
In phases where translations are spontaneously broken, new gapless degrees of freedom appear in the low energy spectrum (the phonons). At long wavelengths, they couple to small fluctuations of the conserved densities of the system. This…
We present a detailed analysis of the molecular kinetics of CHCl$_3$ in a range of temperatures covering the solid and liquid phases. Using nuclear quadrupolar resonance we determine the relaxation times for the molecular rotations in solid…
The dynamic structure factor, S(Q,w), of vitreous silica, has been measured by inelastic X-ray scattering in the exchanged wavevector (Q) region Q=4-16.5 nm-1 and up to energies hw=115 meV in the Stokes side. The unprecedented statistical…
Absorption spectra of liquid water at 300 K are calculated from both classical and density functional theory molecular dynamics simulation data, which together span from 1 MHz to hundreds of THz, agreeing well with experimental data…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
Van der Waals (vdW) and Casimir interactions depend crucially on material properties and geometry, especially at molecular scales, and temperature can produce noticeable relative shifts in interaction characteristics. Despite this, common…
Slow relaxation and plastic deformation in disordered materials such as metallic glasses and supercooled liquids occur at dynamical heterogeneities, or neighboring particles that rearrange in a correlated, cooperative manner. Dynamical…
Accurate spectroscopic constants and electrical properties of small molecules are determined by means of W4 and post-W4 theories. For a set of 28 first- and second-row diatomic molecules for which very accurate experimental spectroscopic…
The vibrational density of states $D(\omega)$ of solids controls their thermal and transport properties. In crystals, the low-frequency modes are extended phonons distributed in frequency according to Debye's law, $D(\omega) \propto…
The complex shear modulus of solid $^4$He exhibits an anomaly in the same temperature region where torsion oscillators show a change in period. We propose that the observed stiffening of the shear modulus with decreasing temperature can be…
The relaxation dynamics in two van der Waals bonded and one hydrogen-bonding molecular liquids is studied as a function of pressure and temperature by incoherent neutron scattering using simultaneous dielectric spectroscopy. The dynamics is…
We examine the influence at room temperature of the deposit of a water layer on the phonon dynamics of a solid. It is shown that the water wetting at the surface of an Alumina monocrystal has deep effects on acoustic phonons, propagating…
The development of a general theoretical framework for describing the behaviour of a crystal driven far from equilibrium has proved difficult1. Microfluidic crystals, formed by the introduction of droplets of immiscible fluid into a…
Local rearrangements are the elements of plastic deformation in an amorphous solid. In oscillatory shear, they can switch reversibly between two distinct configurations. While these repeating relaxations are typically considered in the…
Through molecular dynamics simulations, we examined hydrodynamic behavior of the Brownian motion of fullerene particles based on molecular interactions. The solvation free energy and the velocity autocorrelation function (VACF) were…
We study the hydrodynamic interactions between colloids suspended in a compressible fluid inside a rigid channel. Using lattice-Boltzmann simulations and a simplified hydrodynamic theory, we find that the diffusive dynamics of density…
We present large-scale ab initio phonon calculations for the molecular quantum spin liquid X[Pd(dmit)2]2. An unusually low average phonon velocity ( 700 {m/s}) and optical modes below 10 cm^{-1} confine the Debye T^{3} regime to T < 2 K. As…