Laboratoire Interdisciplinaire Of Physique

Sainte-Foy-lès-Lyon, France

Laboratoire Interdisciplinaire Of Physique

Sainte-Foy-lès-Lyon, France

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Gratier J.-P.,CNRS Institute of Earth Sciences | Dysthe D.K.,University of Oslo | Dysthe D.K.,Laboratoire Interdisciplinaire Of Physique | Renard F.,CNRS Institute of Earth Sciences | Renard F.,University of Oslo
Advances in Geophysics | Year: 2013

The aim of this review is to characterize the role of pressure solution creep in the ductility of the Earth's upper crust and to describe how this creep mechanism competes and interacts with other deformation mechanisms. Pressure solution creep is a major mechanism of ductile deformation of the upper crust, accommodating basin compaction, folding, shear zone development, and fault creep and interseismic healing. However, its kinetics is strongly dependent on the composition of the rocks (mainly the presence of phyllosilicates minerals that activate pressure solution) and on its interaction with fracturing and healing processes (that activate and slow down pressure solution, respectively). The present review combines three approaches: natural observations, theoretical developments, and laboratory experiments. Natural observations can be used to identify the pressure solution markers necessary to evaluate creep law parameters, such as the nature of the material, the temperature and stress conditions, or the geometry of mass transfer domains. Theoretical developments help to investigate the thermodynamics and kinetics of the processes and to build theoretical creep laws. Laboratory experiments are implemented in order to test the models and to measure creep law parameters such as driving forces and kinetic coefficients. Finally, applications are discussed for the modeling of sedimentary basin compaction and fault creep. The sensitivity of the models to time is given particular attention: viscous versus plastic rheology during sediment compaction; steady state versus non-steady state behavior of fault and shear zones. The conclusions discuss recent advances for modeling pressure solution creep and the main questions that remain to be solved. © 2013 Elsevier Inc.


Hernandez-Rojas J.,University of La Laguna | Calvo F.,Laboratoire Interdisciplinaire Of Physique | Noya E.G.,CSIC - Institute of Physical Chemistry "Rocasolano"
Journal of Chemical Theory and Computation | Year: 2015

The semiclassical method of quantum thermal baths by colored noise thermostats has been used to simulate various atomic systems in the molecular and bulk limits, at finite temperature and in moderately to strongly anharmonic regimes. In all cases, the method performs relatively well against alternative approaches in predicting correct energetic properties, including in the presence of phase changes, provided that vibrational delocalization is not too strong-neon appearing already as an upper limiting case. In contrast, the dynamical behavior inferred from global indicators such as the root-mean-square bond length fluctuation index or the vibrational spectrum reveals more marked differences caused by zero-point energy leakage, except in the case of isolated molecules with well separated vibrational modes. To correct for such deficiencies and reduce the undesired transfer among modes, empirical modifications of the noise power spectral density were attempted to better describe thermal equilibrium but still failed when used as semiclassical preparation for microcanonical trajectories. © 2015 American Chemical Society.


PubMed | University of La Laguna, CSIC - Institute of Physical Chemistry "Rocasolano" and Laboratoire Interdisciplinaire Of Physique
Type: Journal Article | Journal: Journal of chemical theory and computation | Year: 2015

The semiclassical method of quantum thermal baths by colored noise thermostats has been used to simulate various atomic systems in the molecular and bulk limits, at finite temperature and in moderately to strongly anharmonic regimes. In all cases, the method performs relatively well against alternative approaches in predicting correct energetic properties, including in the presence of phase changes, provided that vibrational delocalization is not too strong-neon appearing already as an upper limiting case. In contrast, the dynamical behavior inferred from global indicators such as the root-mean-square bond length fluctuation index or the vibrational spectrum reveals more marked differences caused by zero-point energy leakage, except in the case of isolated molecules with well separated vibrational modes. To correct for such deficiencies and reduce the undesired transfer among modes, empirical modifications of the noise power spectral density were attempted to better describe thermal equilibrium but still failed when used as semiclassical preparation for microcanonical trajectories.


Berti S.,Laboratoire Interdisciplinaire Of Physique | Berti S.,Laboratoire Of Me Teorologie Dynamique | Dos Santos F.A.,PROOCEANO Servicxo Oceanografico | Lacorata G.,National Research Council Italy | Vulpiani A.,University of Rome La Sapienza
Journal of Physical Oceanography | Year: 2011

In the framework of Monitoring by Ocean Drifters (MONDO) project, a set of Lagrangian drifters were released in proximity of the Brazil Current, the western branch of the subtropical gyre in the South Atlantic Ocean. The experimental strategy of deploying part of the buoys in clusters offers the opportunity to examine relative dispersion on a wide range of scales. Adopting a dynamical systems approach, the authors focus their attention on scale-dependent indicators, like the finite-scale Lyapunov exponent (FSLE) and the finite-scale (mean square) relative velocity (FSRV) between two drifters as a function of their separation and compare them with classic time-dependent statistical quantities like the mean-square relative displacement between two drifters and the effective diffusivity as functions of the time lag from the release. The authors find that, dependently on the given observable, the quasigeostrophic turbulence scenario is overall compatible with their data analysis, with discrepancies from the expected behavior of 2D turbulent trajectories likely to be ascribed to the nonstationary and nonhomogeneous characteristics of the flow, as well as to possible ageostrophic effects. Submesoscale features of;O(1) km are considered to play a role, to some extent, in determining the properties of relative dispersion as well as the shape of the energy spectrum. The authors also present numerical simulations of an ocean general circulation model (OGCM) of the South Atlantic and discuss the comparison between experimental and model data about mesoscale dispersion. © 2011 American Meteorological Society.


Bacchus-Montabonel M.-C.,University Claude Bernard Lyon 1 | Calvo F.,Laboratoire Interdisciplinaire Of Physique
Physical Chemistry Chemical Physics | Year: 2015

Stepwise hydration of uracil has been theoretically revisited using different methods ranging from classical force fields to quantum chemical approaches. Hydration initially begins within the uracil plane but proceeds at four molecules into three-dimensional configurations or even water clusters next to the nucleobase. The relative stability between the various structures is significantly affected by zero-point energy and finite temperature (entropy) effects and also gives rise to markedly different responses to an excitation by an impinging high-energy proton. In particular, charge transfer to the molecular complex is dramatically altered in collisions toward the coating cluster but barely modified for peripheral hydration patterns. This journal is © the Owner Societies.


Calvo F.,Laboratoire Interdisciplinaire Of Physique
AIP Conference Proceedings | Year: 2015

Alkali impurities bind to helium nanodroplets very differently depending on their size and charge state, large neutral or charged dopants being wetted by the droplet whereas small neutral impurities prefer to reside aside. Using various computational modeling tools such as quantum Monte Carlo and path-integral molecular dynamics simulations, we have revisited some aspects of the physical chemistry of helium droplets interacting with sodium impurities, including the onset of snowball formation in presence of many-body polarization forces, the transition from non-wetted to wetted behavior in larger sodium clusters, and the kinetics of submersion of small dopants after sudden ionization. © 2015 AIP Publishing LLC.


Calvo F.,Laboratoire Interdisciplinaire Of Physique
Physical Chemistry Chemical Physics | Year: 2015

This article reviews recent advances in our understanding of how temperature affects the structure and the phase of multimetallic nanoparticles. Focusing on bimetallic systems, we discuss the interplay of size, shape and chemical order on the stable configurations at thermal equilibrium. Besides some considerations about experimental evidence for thermally-induced transformations, most insight is generally gained from theory and computation. The perspectives offered by mesoscopic approaches (i.e. corrected from the bulk) and atomistic simulations complement each other and often provide detailed information about the respective roles of coordination, composition and more generally surface effects to be evaluated. Order-disorder transitions and the melting phase change are strongly altered in nanoscale systems, and we describe how they possibly impact entire phase diagrams. © 2015 the Owner Societies.


Durand M.,Paris West University Nanterre La Défense | Kraynik A.M.,California Institute of Technology | Van Swol F.,Sandia National Laboratories | Van Swol F.,University of New Mexico | And 5 more authors.
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics | Year: 2014

Bubble monolayers are model systems for experiments and simulations of two-dimensional packing problems of deformable objects. We explore the relation between the distributions of the number of bubble sides (topology) and the bubble areas (geometry) in the low liquid fraction limit. We use a statistical model [M. Durand, Europhys. Lett. 90, 60002 (2010)EULEEJ0295-507510.1209/0295- 5075/90/60002] which takes into account Plateau laws. We predict the correlation between geometrical disorder (bubble size dispersity) and topological disorder (width of bubble side number distribution) over an extended range of bubble size dispersities. Extensive data sets arising from shuffled foam experiments, surface evolver simulations, and cellular Potts model simulations all collapse surprisingly well and coincide with the model predictions, even at extremely high size dispersity. At moderate size dispersity, we recover our earlier approximate predictions [M. Durand, J. Kafer, C. Quilliet, S. Cox, S. A. Talebi, and F. Graner, Phys. Rev. Lett. 107, 168304 (2011)PRLTAO0031-900710.1103/ PhysRevLett.107.168304]. At extremely low dispersity, when approaching the perfectly regular honeycomb pattern, we study how both geometrical and topological disorders vanish. We identify a crystallization mechanism and explore it quantitatively in the case of bidisperse foams. Due to the deformability of the bubbles, foams can crystallize over a larger range of size dispersities than hard disks. The model predicts that the crystallization transition occurs when the ratio of largest to smallest bubble radii is 1.4. © 2014 American Physical Society.


PubMed | Aberystwyth University, Laboratoire Interdisciplinaire Of Physique, Sandia National Laboratories, Paris West University Nanterre La Défense and 2 more.
Type: Journal Article | Journal: Physical review. E, Statistical, nonlinear, and soft matter physics | Year: 2014

Bubble monolayers are model systems for experiments and simulations of two-dimensional packing problems of deformable objects. We explore the relation between the distributions of the number of bubble sides (topology) and the bubble areas (geometry) in the low liquid fraction limit. We use a statistical model [M. Durand, Europhys. Lett. 90, 60002 (2010)] which takes into account Plateau laws. We predict the correlation between geometrical disorder (bubble size dispersity) and topological disorder (width of bubble side number distribution) over an extended range of bubble size dispersities. Extensive data sets arising from shuffled foam experiments, surface evolver simulations, and cellular Potts model simulations all collapse surprisingly well and coincide with the model predictions, even at extremely high size dispersity. At moderate size dispersity, we recover our earlier approximate predictions [M. Durand, J. Kafer, C. Quilliet, S. Cox, S. A. Talebi, and F. Graner, Phys. Rev. Lett. 107, 168304 (2011)]. At extremely low dispersity, when approaching the perfectly regular honeycomb pattern, we study how both geometrical and topological disorders vanish. We identify a crystallization mechanism and explore it quantitatively in the case of bidisperse foams. Due to the deformability of the bubbles, foams can crystallize over a larger range of size dispersities than hard disks. The model predicts that the crystallization transition occurs when the ratio of largest to smallest bubble radii is 1.4.


PubMed | Laboratoire Interdisciplinaire Of Physique
Type: Journal Article | Journal: Physical chemistry chemical physics : PCCP | Year: 2015

This article reviews recent advances in our understanding of how temperature affects the structure and the phase of multimetallic nanoparticles. Focusing on bimetallic systems, we discuss the interplay of size, shape and chemical order on the stable configurations at thermal equilibrium. Besides some considerations about experimental evidence for thermally-induced transformations, most insight is generally gained from theory and computation. The perspectives offered by mesoscopic approaches (i.e. corrected from the bulk) and atomistic simulations complement each other and often provide detailed information about the respective roles of coordination, composition and more generally surface effects to be evaluated. Order-disorder transitions and the melting phase change are strongly altered in nanoscale systems, and we describe how they possibly impact entire phase diagrams.

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