Neutral and Charged 1-Butyl-3-methylimidazolium Triflate Clusters: Equilibrium Concentration in the Vapor Phase and Thermal Properties of Nanometric Droplets

Ground state energy, structure, and harmonic vibrational modes of 1-butyl-3-methylimidazolium triflate ([bmim][Tf]) clusters have been computed using an all-atom empirical potential model. Neutral and charged species have been considered up to a size (30 [bmim][Tf] pairs) well into the nanometric range. Free energy computations and thermodynamic modeling have been used to predict the equilibrium composition of the vapor phase as a function of temperature and density. The results point to a nonnegligible concentration of very small charged species at pressures (P ~ 0.01 Pa) and temperatures (T 600 K) at the boundary of the stability range of [bmim][Tf]. Thermal properties of nanometric neutral droplets have been investigated in the 0 T 700 K range. A near-continuous transition between a liquidlike phase at high T and a solidlike phase at low T takes place at T ~ 190 K in close correspondence with the bulk glass point Tg ~ 200 K. Solidification is accompanied by a transition in the dielectric properties of the droplet, giving rise to a small permanent dipole embedded into the solid cluster. The simulation results highlight the molecular precursors of several macroscopic properties and phenomena and point to the close competition of Coulomb and dispersion forces as their common origin.

Anatase thin films on glass from the chemical vapor deposition of titanium(IV) chloride and ethyl acetate

Thin (50-500 nm) films of TiO2 may be deposited on glass substrates by the atmospheric pressure chemical vapor deposition (APCVD) reaction of TiCl4 with ethyl acetate at 400600 C. The TiO2 films are exclusively in the form of anatase, as established by Raman microscopy and glancing angle X-ray diffraction. X-ray photoelectron spectroscopy gave a 1:2 Ti:O ratio with Ti 2P(3/2) at 458.6 eV and O 1s is at 530.6 eV. The water droplet contact angle drops from 60degrees to

Electrical Breakdown in Water Vapor

In this paper investigations of the voltage required to break down water vapor are reported for the region around the Paschen minimum and to the left of it. In spite of numerous applications of discharges in biomedicine, and recent studies of discharges in water and vapor bubbles and discharges with liquid water electrodes, studies of the basic parameters of breakdown are lacking. Paschen curves have been measured by recording voltages and currents in the low-current Townsend regime and extrapolating them to zero current. The minimum electrical breakdown voltage for water vapor was found to be 480 V at a pressure times electrode distance (pd) value of around 0.6 Torr cm (similar to 0.8 Pa m). The present measurements are also interpreted using (and add additional insight into) the developing understanding of relevant atomic and particularly surface processes associated with electrical breakdown.

Multiple self-aligned iron nanowires by a dual selective chemical vapor deposition process

We have demonstrated a self-aligned process to fabricate organized iron nanowires on a planarized surface with wire dimensions down to 50 nm. Polishing was used to expose an alternating silicon silicon dioxide edge and a dual selective metal deposition process produced the nanowires. The initial selective deposition produced a tungsten layer on the exposed polysilicon regions. The discovery that selective chemical vapor deposition of iron from Fe(CO)(5) precursor on dielectric surfaces over tungsten surfaces is the key factor that enables the self-alignment of the iron nanowires. Dimensions of the wires are determined by the thickness of the thermal oxide. (c) 2007 The Electrochemical Society.

Applications of the generalized Langevin equation: Towards a realistic description of the baths

The generalized Langevin equation (GLE) method, as developed previously [L. Stella et al., Phys. Rev. B 89, 134303 (2014)], is used to calculate the dissipative dynamics of systems described at the atomic level. The GLE scheme goes beyond the commonly used bilinear coupling between the central system and the bath, and permits us to have a realistic description of both the dissipative central system and its surrounding bath. We show how to obtain the vibrational properties of a realistic bath and how to convey such properties into an extended Langevin dynamics by the use of the mapping of the bath vibrational properties onto a set of auxiliary variables. Our calculations for a model of a Lennard-Jones solid show that our GLE scheme provides a stable dynamics, with the dissipative/relaxation processes properly described. The total kinetic energy of the central system always thermalizes toward the expected bath temperature, with appropriate fluctuation around the mean value. More importantly, we obtain a velocity distribution for the individual atoms in the central system which follows the expected canonical distribution at the corresponding temperature. This confirms that both our GLE scheme and our mapping procedure onto an extended Langevin dynamics provide the correct thermostat. We also examined the velocity autocorrelation functions and compare our results with more conventional Langevin dynamics.

Heat transport in harmonic oscillator systems with thermal baths: application to optomechanical arrays

We investigate the transport of phonons between N harmonic oscillators in contact with independent thermal baths and coupled to a common oscillator, and derive an expression for the steady state heat flow between the oscillators in the weak coupling limit. We apply these results to an optomechanical array consisting of a pair of mechanical resonators coupled to a single quantized electromagnetic field mode by radiation pressure as well as to thermal baths with different temperatures. In the weak coupling limit this system is shown to be equivalent to two mutually-coupled harmonic oscillators in contact with an effective common thermal bath in addition to their independent baths. The steady state occupation numbers and heat flows are derived and discussed in various regimes of interest.

Thermodynamics of trajectories of a quantum harmonic oscillator coupled to N baths

We undertake a thorough analysis of the thermodynamics of the trajectories followed by a quantum harmonic oscillator coupled to $N$ dissipative baths by using a new approach to large-deviation theory inspired by phase-space quantum optics. As an illustrative example, we study the archetypal case of a harmonic oscillator coupled to two thermal baths, allowing for a comparison with the analogous classical result. In the low-temperature limit, we find a significant quantum suppression in the rate of work exchanged between the system and each bath. We further show how the presented method is capable of giving analytical results even for the case of a driven harmonic oscillator. Based on that result, we analyse the laser cooling of the motion of a trapped ion or optomechanical system, illustrating how the emission statistics can be controllably altered by the driving force.