We have examined the low-energy single-phonon vibrations of disordered mono- and bilayers of sulfur hexafluoride physisorbed on Au(111) with inelastic helium atom scattering. At monolayer coverages, SF6 exhibits a dispersionless Einstein mode at 3.6 +/- 0.4 meV. We observed two distinct overtones of this vibration as both creation and annihilation events at 7.1 +/- 0.7 meV and 10.9 +/- 1.4 meV,...

We determine time correlation functions and dynamic structure factors of the number and charge density of liquid water from molecular dynamics simulations. Using these correlation functions we consider dielectric friction and electro-acoustic coupling effects via linear response theory. From charge-charge correlations, the drag force on a moving point charge is derived and found to be maximal a...

The transition rule governing the inelastic excitations of molecular vibrations occurring during a molecular through-state electron transfer process is presented. Using an effective Hamiltonian model, it is shown that the quantum time oscillation of the intermediate electronic state population triggers this transition. Its corresponding quantum oscillation frequency has to be equal to a quantum...

The hydrohelium cation, HeH(+), serves as an important benchmark for ab initio calculations that take into account non-adiabatic, relativistic, and quantum electrodynamic effects. Such calculations are capable of predicting molecular transitions to an accuracy of ~300 MHz or less. However, in order to continue to push the boundaries on these calculations, new measurements of these transitions a...

Systems that exhibit flexible dynamics are susceptible to vibration caused by changes in the reference command and from external disturbances. Feedback control is an obvious choice to deal with these vibrations, but in many cases, it is insufficient or difficult to implement. Input shaping does not deal with vibration excited by external disturbances; however it has proven beneficial for reduci...

We present a combination of techniques from molecular, flow, and scalar data visualization to reveal the characteristics and processes in the data of this year’s IEEE scientific visualization contest. Among the challenges we had to address were the strong thermal vibration of the molecular data as well as the fact that the simulated material did not behave as we would have expected according to...

A polaron model proposed as a possible mechanism for non-linear conductance (Galperin et al 2005 Nano Lett. 5 125-30) is revisited with the focus on the differences between the weak and strong molecule-lead coupling cases. Within the one-molecule-level model we present an approximate expression for the electronic Green function corresponding to the inelastic transport case, which in the appropr...

The mean vibration transmissibility values were measured for cotton work gloves commonly used in vibration-generating workplaces to evaluate the vibration isolating performance of cotton work gloves. The mean vibration transmissibility values of work cotton gloves were compared with those of four types of anti-vibration gloves measured in the same way. All the measurements were performed based ...