SAFT-γ force field for the simulation of molecular fluids: 4. A single-site coarse-grained model of water applicable over a wide temperature range

In this work, we develop coarse-grained (CG) force fields for water, where the effective CG intermolecular interactions between particles are estimated from an accurate description of the macroscopic experimental vapour-liquid equilibria data by means of a molecular-based equation of state. The statistical associating fluid theory for Mie (generalised Lennard-Jones) potentials of variable range (SAFT-VR Mie) is used to parameterise spherically symmetrical (isotropic) force fields for water. The resulting SAFT-γ CG models are based on the Mie (8-6) form with size and energy parameters that are temperature dependent; the latter dependence is a consequence of the angle averaging of the directional polar interactions present in water. At the simplest level of CG where a water molecule is represented as a single bead, it is well known that an isotropic potential cannot be used to accurately reproduce all of the thermodynamic properties of water simultaneously. In order to address this deficiency, we propose two CG potential models of water based on a faithful description of different target properties over a wide range of temperatures: our CGW1-vle model is parameterised to match the saturated-liquid density and vapour pressure; our other CGW1-ift model is parameterised to match the saturated-liquid density and vapour-liquid interfacial tension. A higher level of CG corresponding to two water molecules per CG bead is also considered: the corresponding CGW2-bio model is developed to reproduce the saturated-liquid density and vapour-liquid interfacial tension in the physiological temperature range, and is particularly suitable for the large-scale simulation of bio-molecular systems. A critical comparison of the phase equilibrium and transport properties of the proposed force fields is made with the more traditional atomistic models

Frequency shift up to the 2-PM approximation

A lot of fundamental tests of gravitational theories rely on highly precise measurements of the travel time and/or the frequency shift of electromagnetic signals propagating through the gravitational field of the Solar System. In practically all of the previous studies, the explicit expressions of such travel times and frequency shifts as predicted by various metric theories of gravity are derived from an integration of the null geodesic differential equations. However, the solution of the geodesic equations requires heavy calculations when one has to take into account the presence of mass multipoles in the gravitational field or the tidal effects due to the planetary motions, and the calculations become quite complicated in the post-post-Minkowskian approximation. This difficult task can be avoided using the time transfer function's formalism. We present here our last advances in the formulation of the one-way frequency shift using this formalism up to the post-post-Minkowskian approximation.Comment: 4 pages, submitted to proceedings of SF2

Relativistic formulation of coordinate light time, Doppler and astrometric observables up to the second post-Minkowskian order

Given the extreme accuracy of modern space science, a precise relativistic modeling of observations is required. In particular, it is important to describe properly light propagation through the Solar System. For two decades, several modeling efforts based on the solution of the null geodesic equations have been proposed but they are mainly valid only for the first order Post-Newtonian approximation. However, with the increasing precision of ongoing space missions as Gaia, GAME, BepiColombo, JUNO or JUICE, we know that some corrections up to the second order have to be taken into account for future experiments. We present a procedure to compute the relativistic coordinate time delay, Doppler and astrometric observables avoiding the integration of the null geodesic equation. This is possible using the Time Transfer Function formalism, a powerful tool providing key quantities such as the time of flight of a light signal between two point-events and the tangent vector to its null-geodesic. Indeed we show how to compute the Time Transfer Functions and their derivatives (and thus range, Doppler and astrometric observables) up to the second post-Minkowskian order. We express these quantities as quadratures of some functions that depend only on the metric and its derivatives evaluated along a Minkowskian straight line. This method is particularly well adapted for numerical estimations. As an illustration, we provide explicit expressions in static and spherically symmetric space-time up to second post-Minkowskian order. Then we give the order of magnitude of these corrections for the range/Doppler on the BepiColombo mission and for astrometry in a GAME-like observation.Comment: 22 pages, 5 figures, accepted in Phys. Rev.

Light propagation in the field of a moving axisymmetric body: theory and application to JUNO

Given the extreme accuracy of modern space science, a precise relativistic modeling of observations is required. We use the Time Transfer Functions formalism to study light propagation in the field of uniformly moving axisymmetric bodies, which extends the field of application of previous works. We first present a space-time metric adapted to describe the geometry of an ensemble of uniformly moving bodies. Then, we show that the expression of the Time Transfer Functions in the field of a uniformly moving body can be easily derived from its well-known expression in a stationary field by using a change of variables. We also give a general expression of the Time Transfer Function in the case of an ensemble of arbitrarily moving point masses. This result is given in the form of an integral easily computable numerically. We also provide the derivatives of the Time Transfer Function in this case, which are mandatory to compute Doppler and astrometric observables. We particularize our results in the case of moving axisymmetric bodies. Finally, we apply our results to study the different relativistic contributions to the range and Doppler tracking for the JUNO mission in the Jovian system.Comment: 17 pages, 4 figures, submitted to Phys. Rev. D, some corrections after revie

Impact of the frequency dependence of tidal Q on the evolution of planetary systems

Context. Tidal dissipation in planets and in stars is one of the key physical mechanisms that drive the evolution of planetary systems. Aims. Tidal dissipation properties are intrisically linked to the internal structure and the rheology of studied celestial bodies. The resulting dependence of the dissipation upon the tidal frequency is strongly different in the cases of solids and fluids. Methods. We compute the tidal evolution of a two-body coplanar system, using the tidal quality factor's frequency-dependencies appropriate to rocks and to convective fluids. Results. The ensuing orbital dynamics comes out smooth or strongly erratic, dependent on how the tidal dissipation depends upon frequency. Conclusions. We demonstrate the strong impact of the internal structure and of the rheology of the central body on the orbital evolution of the tidal perturber. A smooth frequency-dependence of the tidal dissipation renders a smooth orbital evolution while a peaked dissipation can furnish erratic orbital behaviour.Comment: Accepted for publication as a letter in Astronomy And Astrophysic

Scaling laws to understand tidal dissipation in fluid planetary regions and stars I - Rotation, stratification and thermal diffusivity

Tidal dissipation in planets and stars is one of the key physical mechanisms driving the evolution of star-planet and planet-moon systems. Several signatures of its action are observed in planetary systems thanks to their orbital architecture and the rotational state of their components. Tidal dissipation inside the fluid layers of celestial bodies are intrinsically linked to the dynamics and the physical properties of the latter. This complex dependence must be characterized. We compute the tidal kinetic energy dissipated by viscous friction and thermal diffusion in a rotating local fluid Cartesian section of a star/planet/moon submitted to a periodic tidal forcing. The properties of tidal gravito-inertial waves excited by the perturbation are derived analytically as explicit functions of the tidal frequency and local fluid parameters (i.e. the rotation, the buoyancy frequency characterizing the entropy stratification, viscous and thermal diffusivities) for periodic normal modes. The sensitivity of the resulting possibly highly resonant dissipation frequency-spectra to a control parameter of the system is either important or negligible depending on the position in the regime diagram relevant for planetary and stellar interiors. For corresponding asymptotic behaviors of tidal gravito-inertial waves dissipated by viscous friction and thermal diffusion, scaling laws for the frequencies, number, width, height and contrast with the non-resonant background of resonances are derived to quantify these variations. We characterize the strong impact of the internal physics and dynamics of fluid planetary layers and stars on the dissipation of tidal kinetic energy in their bulk. We point out the key control parameters that really play a role and demonstrate how it is now necessary to develop ab-initio modeling for tidal dissipation in celestial bodies.Comment: 24 pages, 14 figures, accepted for publication in Astronomy & Astrophysic

How to test SME with space missions ?

In this communication, we focus on possibilities to constrain SME coefficients using Cassini and Messenger data. We present simulations of radioscience observables within the framework of the SME, identify the linear combinations of SME coefficients the observations depend on and determine the sensitivity of these measurements to the SME coefficients. We show that these datasets are very powerful for constraining SME coefficients.Comment: Presented at the Sixth Meeting on CPT and Lorentz Symmetry, Bloomington, Indiana, June 17-21, 2013. 4 pages, 1 figur

Time and frequency transfer with a microwave link in the ACES/PHARAO mission

The Atomic Clocks Ensemble in Space (ACES/PHARAO mission), which will be installed on board the International Space Station (ISS), uses a dedicated two-way Micro-Wave Link (MWL) in order to compare the timescale generated on board with those provided by many ground stations disseminated on the Earth. Phase accuracy and stability of this long range link will have a key role in the success of the ACES/PHARAO experiment. SYRTE laboratory is heavily involved in the design and development of the data processing software : from theoretical modelling and numerical simulations to the development of a software prototype. Our team is working on a wide range of problems that need to be solved in order to achieve high accuracy in (almost) real time. In this article we present some key aspects of the measurement, as well as current status of the software's development.Comment: Proceedings of the European Frequency and Time Forum (EFTF) 2012 held in Gothenburg, Sweden, April 201