Microscopic theory of single-electron tunneling through molecular-assembled metallic nanoparticles

We present a microscopic theory of single-electron tunneling through metallic nanoparticles connected to the electrodes through molecular bridges. It combines the theory of electron transport through molecular junctions with the description of the charging dynamics on the nanoparticles. We apply the theory to study single-electron tunneling through a gold nanoparticle connected to the gold electrodes through two representative benzene-based molecules. We calculate the background charge on the nanoparticle induced by the charge transfer between the nanoparticle and linker molecules, the capacitance and resistance of molecular junction using a first-principles based Non-Equilibrium Green's Function theory. We demonstrate the variety of transport characteristics that can be achieved through ``engineering'' of the metal-molecule interaction.Comment: To appear in Phys. Rev.

Development of a tight-binding potential for bcc-Zr. Application to the study of vibrational properties

We present a tight-binding potential based on the moment expansion of the density of states, which includes up to the fifth moment. The potential is fitted to bcc and hcp Zr and it is applied to the computation of vibrational properties of bcc-Zr. In particular, we compute the isothermal elastic constants in the temperature range 1200K < T < 2000K by means of standard Monte Carlo simulation techniques. The agreement with experimental results is satisfactory, especially in the case of the stability of the lattice with respect to the shear associated with C'. However, the temperature decrease of the Cauchy pressure is not reproduced. The T=0K phonon frequencies of bcc-Zr are also computed. The potential predicts several instabilities of the bcc structure, and a crossing of the longitudinal and transverse modes in the (001) direction. This is in agreement with recent ab initio calculations in Sc, Ti, Hf, and La.Comment: 14 pages, 6 tables, 4 figures, revtex; the kinetic term of the isothermal elastic constants has been corrected (Eq. (4.1), Table VI and Figure 4

The composition of the protosolar disk and the formation conditions for comets

Conditions in the protosolar nebula have left their mark in the composition of cometary volatiles, thought to be some of the most pristine material in the solar system. Cometary compositions represent the end point of processing that began in the parent molecular cloud core and continued through the collapse of that core to form the protosun and the solar nebula, and finally during the evolution of the solar nebula itself as the cometary bodies were accreting. Disentangling the effects of the various epochs on the final composition of a comet is complicated. But comets are not the only source of information about the solar nebula. Protostellar disks around young stars similar to the protosun provide a way of investigating the evolution of disks similar to the solar nebula while they are in the process of evolving to form their own solar systems. In this way we can learn about the physical and chemical conditions under which comets formed, and about the types of dynamical processing that shaped the solar system we see today. This paper summarizes some recent contributions to our understanding of both cometary volatiles and the composition, structure and evolution of protostellar disks.Comment: To appear in Space Science Reviews. The final publication is available at Springer via http://dx.doi.org/10.1007/s11214-015-0167-

1D model of precursors to frictional stick-slip motion allowing for robust comparison with experiments

We study the dynamic behaviour of 1D spring-block models of friction when the external loading is applied from a side, and not on all blocks like in the classical Burridge-Knopoff-like models. Such a change in the loading yields specific difficulties, both from numerical and physical viewpoints. To address some of these difficulties and clarify the precise role of a series of model parameters, we start with the minimalistic model by Maegawa et al. (Tribol. Lett. 38, 313, 2010) which was proposed to reproduce their experiments about precursors to frictional sliding in the stick-slip regime. By successively adding (i) an internal viscosity, (ii) an interfacial stiffness and (iii) an initial tangential force distribution at the interface, we manage to (i) avoid the model's unphysical stress fluctuations, (ii) avoid its unphysical dependence on the spatial resolution and (iii) improve its agreement with the experimental results, respectively. Based on the behaviour of this improved 1D model, we develop an analytical prediction for the length of precursors as a function of the applied tangential load. We also discuss the relationship between the microscopic and macroscopic friction coefficients in the model.Comment: 13 pages, 14 figures, accepted in Tribology Letter

Spi-OPS : Spitzer and CHEOPS confirm the near-polar orbit of MASCARA-1 b and reveal a hint of dayside reflection

A.C.C. and T.G.W. acknowledge support from STFC consolidated grant number ST/M001296/1.Context. The light curves of tidally locked hot Jupiters transiting fast-rotating, early-type stars are a rich source of information about both the planet and star, with full-phase coverage enabling a detailed atmospheric characterisation of the planet. Although it is possible to determine the true spin–orbit angle Ψ – a notoriously difficult parameter to measure – from any transit asymmetry resulting from gravity darkening induced by the stellar rotation, the correlations that exist between the transit parameters have led to large disagreements in published values of Ψ for some systems. Aims. We aimed to study these phenomena in the light curves of the ultra-hot Jupiter MASCARA-1 b, which is characteristically similar to well-studied contemporaries such as KELT-9 b and WASP-33 b. Methods. We obtained optical CHaracterising ExOPlanet Satellite (CHEOPS) transit and occultation light curves of MASCARA-1 b, and analysed them jointly with a Spitzer/IRAC 4.5 μm full-phase curve to model the asymmetric transits, occultations, and phase-dependent flux modulation. For the latter, we employed a novel physics-driven approach to jointly fit the phase modulation by generating a single 2D temperature map and integrating it over the two bandpasses as a function of phase to account for the differing planet–star flux contrasts. The reflected light component was modelled using the general ab initio solution for a semi-infinite atmosphere. Results. When fitting the CHEOPS and Spitzer transits together, the degeneracies are greatly diminished and return results consistent with previously published Doppler tomography. Placing priors informed by the tomography achieves even better precision, allowing a determination of Ψ = 72.1−2.4+2.5 deg. From the occultations and phase variations, we derived dayside and nightside temperatures of 3062−68+66 K and 1720 ± 330 K, respectively.Our retrieval suggests that the dayside emission spectrum closely follows that of a blackbody. As the CHEOPS occultation is too deep to be attributed to blackbody flux alone, we could separately derive geometric albedo Ag = 0.171−0.068+0.066 and spherical albedo As = 0.266−0.100+0.097 from the CHEOPS data, and Bond albedoAB = 0.057−0.101+0.083 from the Spitzer phase curve.Although small, the Ag and As indicate that MASCARA-1 b is more reflective than most other ultra-hot Jupiters, where H− absorption is expected to dominate. Conclusions. Where possible, priors informed by Doppler tomography should be used when fitting transits of fast-rotating stars, though multi-colour photometry may also unlock an accurate measurement of Ψ. Our approach to modelling the phase variations at different wavelengths provides a template for how to separate thermal emission from reflected light in spectrally resolved James Webb Space Telescope phase curve data.Publisher PDFPeer reviewe

Connecting photometric and spectroscopic granulation signals with CHEOPS and ESPRESSO

Context. Stellar granulation generates fluctuations in photometric and spectroscopic data whose properties depend on the stellar type, composition, and evolutionary state. Characterizing granulation is key for understanding stellar atmospheres and detecting planets. Aims. We aim to detect the signatures of stellar granulation, link spectroscopic and photometric signatures of convection for main-sequence stars, and test predictions from 3D hydrodynamic models. Methods. For the first time, we observed two bright stars (Teff = 5833 and 6205 K) with high-precision observations taken simultaneously with CHEOPS and ESPRESSO. We analyzed the properties of the stellar granulation signal in each individual dataset. We compared them to Kepler observations and 3D hydrodynamic models. While isolating the granulation-induced changes by attenuating and filtering the p-mode oscillation signals, we studied the relationship between photometric and spectroscopic observables. Results. The signature of stellar granulation is detected and precisely characterized for the hotter F star in the CHEOPS and ESPRESSO observations. For the cooler G star, we obtain a clear detection in the CHEOPS dataset only. The TESS observations are blind to this stellar signal. Based on CHEOPS observations, we show that the inferred properties of stellar granulation are in agreement with both Kepler observations and hydrodynamic models. Comparing their periodograms, we observe a strong link between spectroscopic and photometric observables. Correlations of this stellar signal in the time domain (flux versus radial velocities, RV) and with specific spectroscopic observables (shape of the cross-correlation functions) are however difficult to isolate due to S/N dependent variations. Conclusions. In the context of the upcoming PLATO mission and the extreme precision RV surveys, a thorough understanding of the properties of the stellar granulation signal is needed. The CHEOPS and ESPRESSO observations pave the way for detailed analyses of this stellar process

Examining the orbital decay targets KELT-9 b, KELT-16 b, and WASP-4 b, and the transit-timing variations of HD 97658 b,

Context. Tidal orbital decay is suspected to occur for hot Jupiters in particular, with the only observationally confirmed case of this being WASP-12 b. By examining this effect, information on the properties of the host star can be obtained using the so-called stellar modified tidal quality factor Q′∗, which describes the efficiency with which the kinetic energy of the planet is dissipated within the star. This can provide information about the interior of the star. Aims. In this study, we aim to improve constraints on the tidal decay of the KELT-9, KELT-16, and WASP-4 systems in order to find evidence for or against the presence of tidal orbital decay. With this, we want to constrain the Q′∗ value for each star. In addition, we aim to test the existence of the transit timing variations (TTVs) in the HD 97658 system, which previously favoured a quadratic trend with increasing orbital period. Methods. Making use of newly acquired photometric observations from CHEOPS (CHaracterising ExOplanet Satellite) and TESS (Transiting Exoplanet Survey Satellite), combined with archival transit and occultation data, we use Markov chain Monte Carlo (MCMC) algorithms to fit three models to the data, namely a constant-period model, an orbital-decay model, and an apsidal-precession model. Results. We find that the KELT-9 system is best described by an apsidal-precession model for now, with an orbital decay trend at over 2 σ being a possible solution as well. A Keplerian orbit model with a constant orbital period provides the best fit to the transit timings of KELT-16 b because of the scatter and scale of their error bars. The WASP-4 system is best represented by an orbital decay model at a 5 σ significance, although apsidal precession cannot be ruled out with the present data. For HD 97658 b, using recently acquired transit observations, we find no conclusive evidence for a previously suspected strong quadratic trend in the data

A pair of sub-Neptunes transiting the bright K-dwarf TOI-1064 characterized with CHEOPS

Stars and planetary system