arXiv subjects

G. Ruocco

Publications and source records attributed to G. Ruocco.

At least 73 records · Page 4Linked to original sources

arXiv2003

Fluctuations of entropy production in the isokinetic ensemble

We discuss the microscopic definition of entropy production rate in a model of a dissipative system: a sheared fluid in which the kinetic energy is kept constant via a Gaussian thermostat. The total phase space contraction rate is the sum of two statistically independent contributions: the first one is due to the work of the conservative forces, is independent of the driving force and does not vanish at zero drive, making the system non-conservative also in equilibrium. The second is due to the work of the dissipative forces, and is responsible for the average entropy production; the distribution of its fluctuations is found to verify the Fluctuation Relation of Gallavotti and Cohen. The distribution of the fluctuations of the total phase space contraction rate also verify the Fluctuation Relation. It is compared with the same quantity calculated in the isoenergetic ensemble: we find that the two ensembles are equivalent, as conjectured by Gallavotti. Finally, we discuss the implication of our results for experiments trying to verify the validity of the FR.

cond-mat.stat-mech↗

arXiv2003

A spectroscopic cell for fast pressure jumps across the glass transition line

We present a new experimental protocol for the spectroscopic study of the dynamics of glasses in the aging regime induced by sudden pressure jumps (crunches) across the glass transition line. The sample, initially in the liquid state, is suddenly brought in the glassy state, and therefore out of equilibrium, in a four-window optical crunch cell which is able to perform pressure jumps of 3 kbar in a time interval of ~10 ms. The main advantages of this setup with respect to previous pressure-jump systems is that the pressure jump is induced through a pressure transmitting fluid mechanically coupled to the sample stage through a deformable membrane, thus avoiding any flow of the sample itself in the pressure network and allowing to deal with highly viscous materials. The dynamics of the sample during the aging regime is investigated by Brillouin Light Scattering (BLS). For this purpose the crunch cell is used in conjunction with a high resolution double monochromator equipped with a CCD detector. This system is able to record a full spectrum of a typical glass forming material in a single 1 s shot. As an example we present the study of the evolution toward equilibrium of the infinite frequency longitudinal elastic modulus (M_infinity) of a low molecular weight polymer (Poly(bisphenol A-co-epichlorohydrin), glycidyl end capped). The observed time evolution of M_infinity, well represented by a single stretched exponential, is interpreted within the framework of the Tool-Narayanaswamy theory.

cond-mat.dis-nn↗

arXiv2003

General features of the energy landscape in Lennard-Jones like model liquids

Features of the energy landscape sampled by supercooled liquids are numerically analyzed for several Lennard-Jones like model systems. The properties of quasisaddles (minima of the square gradient of potential energy W=|grad V|^2), are shown to have a direct relationship with the dynamical behavior, confirming that the quasisaddle order extrapolates to zero at the mode-coupling temperature T_MCT. The same result is obtained either analyzing all the minima of W or the saddles (absolute minima of W), supporting the conjectured similarity between quasisaddles and saddles, as far as the temperature dependence of the properties influencing the slow dynamics is concerned. We find evidence of universality in the shape of the landscape: plots for different systems superimpose into master curves, once energies and temperatures are scaled by T_MCT. This allows to establish a quantitative relationship between T_MCT and potential energy barriers for LJ-like systems, and suggests a possible generalization to different model liquids.

cond-mat.soft↗

arXiv2003

Dynamics and geometric properties of the k-Trigonometric model

We analyze the dynamics and the geometric properties of the Potential Energy Surfaces (PES) of the k-Trigonometric Model (kTM), defined by a fully-connected k-body interaction. This model has no thermodynamic transition for k=1, a second order one for k=2, and a first order one for k>2. In this paper we i) show that the single particle dynamics can be traced back to an effective dynamical system (with only one degree of freedom); ii) compute the diffusion constant analytically; iii) determine analytically several properties of the self correlation functions apart from the relaxation times which we calculate numerically; iv) relate the collective correlation functions to the ones of the effective degree of freedom using an exact Dyson-like equation; v) using two analytical methods, calculate the saddles of the PES that are visited by the system evolving at fixed temperature. On the one hand we minimize |grad V|^2, as usually done in the numerical study of supercooled liquids and, on the other hand, we compute the saddles with minimum distance (in configuration space) from initial equilibrium configurations. We find the same result from the two calculations and we speculate that the coincidence might go beyond the specific model investigated here.

cond-mat.stat-mech↗

arXiv2003

Transverse acoustic nature of the excess of vibrational states in vitreous silica

We present a numerical simulation study of the density-dependence (rho = 2.2 - 4.0 g/cm^3) of the high-energy collective dynamics in vitreous silica at mesoscopic wavevectors (Q = 1 - 18 nm^-1). The density-dependence of the longitudinal and transverse current spectra provides evidence that the excess modes observed in the density of states of this and many other glasses, i.e. the Boson Peak, arises from the high-Q limit of the quasi-transverse acoustic branch. This conclusion emerges from the comparison of the numerical results with the experimentally observed energy-shift and intensity variation of the Boson Peak with increasing density.

cond-mat.dis-nn↗

arXiv2003

Potential Energy Landscape in Lennard-Jones binary mixture model

The potential energy landscape in the Kob-Andersen Lennard-Jones binary mixture model has been studied carefully from liquid down to the supercooled regime, from T =2 down to T =0.46. One thousand of independent configurations along the time evolution have been examined at each investigated temperature. From the starting configuration we searched the nearest saddle (or quasi-saddle) and minimum of the potential energy. The vibrational densities of states for the starting and the two derived configurations have been evaluated. Besides the number of negative eigenvalues of saddle, other quantities show some signature of the approaching of the dynamical arrest temperature.

cond-mat.dis-nn↗

arXiv2002

Saddles and dynamics in a solvable mean-field model

We use the saddle-approach, recently introduced in the numerical investigation of simple model liquids, in the analysis of a mean-field solvable system. The investigated system is the k-trigonometric model, a k-body interaction mean field system, that generalizes the trigonometric model introduced by Madan and Keyes [J. Chem. Phys. 98, 3342 (1993)] and that has been recently introduced to investigate the relationship between thermodynamics and topology of the configuration space. We find a close relationship between the properties of saddles (stationary points of the potential energy surface) visited by the system and the dynamics. In particular the temperature dependence of saddle order follows that of the diffusivity, both having an Arrhenius behavior at low temperature and a similar shape in the whole temperature range. Our results confirm the general usefulness of the saddle-approach in the interpretation of dynamical processes taking place in interacting systems.

cond-mat.dis-nn↗

arXiv2002

Non-Equilibrium Thermodynamic Description of the Coupling between Structural and Entropic Modes in Supercooled Liquids

The density response of supercooled glycerol to an impulsive stimulated thermal grating (q=0.63 micron^-1) has been studied in the temperature range (T=200-340 K) where the structure rearrangement (alpha-relaxation) and thermal diffusion occur on the same time scale. A strong interaction between the two modes occurs giving rise to a dip in the T-dependence of the apparent thermal conductivity and a flattening of the apparent alpha-relaxation time upon cooling. A non-equilibrium thermodynamic (NET) model for the long time response of relaxing fluids has been developed. The model is capable to reproduce the experimental data and to explain the observed phenomenology.

cond-mat.dis-nn↗

arXiv2002

High frequency acoustic modes in liquid gallium at the melting point

The microscopic dynamics in liquid gallium (l-Ga) at melting (T=315 K) has been studied by inelastic x-ray scattering. We demonstrate the existence of collective acoustic-like modes up to wave-vectors above one half of the first maximum of the static structure factor, at variance with earlier results from inelastic neutron scattering data [F.J. Bermejo et al. Phys. Rev. E 49, 3133 (1994)]. Despite the structural (an extremely rich polymorphism and rather complex phase diagram) and electronic (mixed valence) peculiarity of l-Ga, its collective dynamics is strikingly similar to the one of Van der Walls and alkali metals liquids. This result speaks in favor of the universality of the short time dynamics in monatomic liquids rather than of system-specific dynamics.

cond-mat.dis-nn↗

arXiv2002

Evidence of short time dynamical correlations in simple liquids

We report a molecular dynamics (MD) study of the collective dynamics of a simple monatomic liquid -interacting through a two body potential that mimics that of lithium- across the liquid-glass transition. In the glassy phase we find evidences of a fast relaxation process similar to that recently found in Lennard-Jones glasses. The origin of this process is ascribed to the topological disorder, i.e. to the dephasing of the different momentum $Q$ Fourier components of the actual normal modes of vibration of the disordered structure. More important, we find that the fast relaxation persists in the liquid phase with almost no temperature dependence of its characteristic parameters (strength and relaxation time). We conclude, therefore, that in the liquid phase well above the melting point, at variance with the usual assumption of {\it un-correlated} binary collisions, the short time particles motion is strongly {\it correlated} and can be described via a normal mode expansion of the atomic dynamics.

cond-mat.dis-nn↗

arXiv2002

High frequency acoustic modes in vitreous Beryllium Fluoride probed by inelastic X-ray scattering

Inelastic X-ray Scattering measurements of the dynamics structure factor have bene performed on vitreous Beryllium Fluoride ({\it v-}BeF$_2$) at $T$=297 K in the momentum transfer, $Q$, range $Q$=1.5$÷$10 nm$^{-1}$. We find evidence of well defined high frequency acoustic modes. The energy position and linewidth of the excitations disperse with $Q$ as $\propto Q$ and $\propto Q^2$, respectively up to about one half of the first maximum of the static structure factor. Their magnitude compare favorably with low-frequency sound velocity and absorption data. The results indicate worth mentioning similarities of the high frequency collective dynamics of different network forming glasses such as {\it v-}B$_2$O$_3$ and {\it v-}SiO$_2$.

cond-mat.dis-nn↗

arXiv2002

Experimental evidence for high frequency transverse-like excitations in glasses

The dynamic structure factor of glassy and liquid glycerol has been measured by inelastic X-ray scattering in the exchanged momentum ($Q$) region $Q$=2$÷$23 nm$^{-1}$ and in the temperature range 80$÷$570 K. Beside the propagating longitudinal excitations modes, at low temperature the spectra show a second non $Q$-dispersing peak at $\hbar Ω_T$$\approx$8.5 meV. We assign this peak to the transverse dynamics that, in topologically disordered systems, acquires a longitudinal symmetry component. This assignment is substantiated by the observation that, in the liquid, this peak vanishes when the structural relaxation time $τ_α$ approaches $Ω_T^{-1}$, a behavior consistent with the condition $τ_αΩ_T^{-1}$$>>$1 required for the existence of a transverse-like dynamics in the liquid state.

cond-mat.dis-nn↗

arXiv2002

Topological Signature of First Order Phase Transitions

We show that the presence and the location of first order phase transitions in a thermodynamic system can be deduced by the study of the topology of the potential energy function, V(q), without introducing any thermodynamic measure. In particular, we present the thermodynamics of an analytically solvable mean-field model with a k-body interaction which -depending on the value of k- displays no transition (k=1), second order (k=2) or first order (k>2) phase transition. This rich behavior is quantitatively retrieved by the investigation of a topological invariant, the Euler characteristic, of some submanifolds of the configuration space. Finally, we conjecture a direct link between the Euler characteristic and the thermodynamic entropy.

cond-mat.stat-mech↗

arXiv2002

Crossover between Equilibrium and Shear-controlled Dynamics in Sheared Liquids

We present a numerical simulation study of a simple monatomic Lennard-Jones liquid under shear flow, as a function of both temperature and shear rate. By investigating different observables we find that i) It exists a line in the (temperature-shear) plane that sharply marks the boarder between an ``equilibrium'' and a ``shear-controlled'' region for both the dynamic and the thermodynamic quantities; and ii) Along this line the structural relaxation time, is proportional to the inverse shear rate, i.e. to the typical time-scale introduced by the shear flow. Above the line the liquid dynamics is unaffected by the shear flow, while below it both temperature and shear rate control the particle motion.

cond-mat.soft↗

arXiv2002

Quasi-saddles as relevant points of the potential energy surface in the dynamics of supercooled liquids

The supercooled dynamics of a Lennard-Jones model liquid is numerically investigated studying relevant points of the potential energy surface, i.e. the minima of the square gradient of total potential energy $V$. The main findings are: ({\it i}) the number of negative curvatures $n$ of these sampled points appears to extrapolate to zero at the mode coupling critical temperature $T_c$; ({\it ii}) the temperature behavior of $n(T)$ has a close relationship with the temperature behavior of the diffusivity; ({\it iii}) the potential energy landscape shows an high regularity in the distances among the relevant points and in their energy location. Finally we discuss a model of the landscape, previously introduced by Madan and Keyes [J. Chem. Phys. {\bf 98}, 3342 (1993)], able to reproduce the previous findings.

cond-mat.soft↗

arXiv2002

Orientational and induced contributions to the depolarized Rayleigh spectra of liquid and supercooled ortho-terphenyl

The depolarized light scattering spectra of the glass forming liquid ortho-terphenyl have been calculated in the low frequency region using molecular dynamics simulation. Realistic system's configurations are produced by using a recent flexible molecular model and combined with two limiting polarizability schemes, both of them using the dipole-induced-dipole contributions at first and second order. The calculated Raman spectral shape are in good agreement with the experimental results in a large temperature range. The analysis of the different contributions to the Raman spectra emphasizes that the orientational and the collision-induced (translational) terms lie on the same time-scale and are of comparable intensity. Moreover, the cross terms are always found to be an important contribution to the scattering intensity.

cond-mat.soft↗

arXiv2002

Inelastic X-ray scattering study of the collective dynamics in liquid sodium

Inelastic X-ray scattering data have been collected for liquid sodium at T=390 K, i.e. slightly above the melting point. Owing to the very high instrumental resolution, pushed up to 1.5 meV, it has been possible to determine accurately the dynamic structure factor, $S(Q,ω)$, in a wide wavevector range, $1.5 ÷15$ nm$^{-1}$, and to investigate on the dynamical processes underlying the collective dynamics. A detailed analysis of the lineshape of $S(Q,ω)$, similarly to other liquid metals, reveals the co-existence of two different relaxation processes with slow and fast characteristic timescales respectively. The present data lead to the conclusion that: i) the picture of the relaxation mechanism based on a simple viscoelastic model fails; ii) although the comparison with other liquid metals reveals similar behavior, the data do not exhibit an exact scaling law as the principle of corresponding state would predict.

cond-mat.dis-nn↗

arXiv2001

Off-equilibrium dynamics in the energy landscape of a simple model glass

The aging dynamics of a simple model glass is numerically investigated observing how it takes place in the potential energy landscape $V$. Partitioning the landscape in basins of minima of $|\nabla V|^2$, we are able to elucidate some interesting topological properties of the aging process. The main result is the characterization of the long time behavior as a jump dynamics between basins of attraction of minima. Moreover we extract some information about the landscape itself, determining quantitatively few parameters describing it, such as the mean energy barrier value and the mean square distance between adjacent minima.

cond-mat.soft↗