Dynamics and energy landscape in a tetrahedral network glass-former: direct comparison with models of fragile liquids.

نویسندگان

  • D Coslovich
  • G Pastore
چکیده

We report molecular dynamics simulations for a new model of tetrahedral network glass-former, based on short-range spherical potentials. Despite the simplicity of the forcefield employed, our model reproduces some essential physical properties of silica, an archetypal network-forming material. Structural and dynamical properties, including dynamic heterogeneities and the nature of local rearrangements, are investigated in detail and a direct comparison with models of close-packed, fragile glass-formers is performed. The outcome of this comparison is rationalized in terms of the properties of the potential energy surface, focusing on the unstable modes of the stationary points. Our results indicate that the weak degree of dynamic heterogeneity observed in network glass-formers may be attributed to an excess of localized unstable modes, associated with elementary dynamical events such as bond breaking and reformation. In contrast, the more fragile Lennard-Jones mixtures are characterized by a larger fraction of extended unstable modes, which lead to a more cooperative and heterogeneous dynamics.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Gaussian excitations model for glass-former dynamics and thermodynamics.

We describe a model for the thermodynamics and dynamics of glass-forming liquids in terms of excitations from an ideal glass state to a Gaussian manifold of configurationally excited states. The quantitative fit of this three parameter model to the experimental data on excess entropy and heat capacity shows that "fragile" behavior, indicated by a sharply rising excess heat capacity as the glass...

متن کامل

Computing the viscosity of supercooled liquids. II. Silica and strong-fragile crossover behavior.

A recently developed atomistic method capable of calculating the fragile (non-Arrhenius) temperature behavior of highly viscous liquids is further tested by studying a model of SiO(2), a glass former well known for its Arrhenius temperature behavior (strong). The method predicts an Arrhenius temperature variation, in agreement with experiments, the origin of which is revealed by both quantitati...

متن کامل

Multiple length and time scales of dynamic heterogeneities in model glass-forming liquids: a systematic analysis of multi-point and multi-time correlations.

We report an extensive and systematic investigation of the multi-point and multi-time correlation functions to reveal the spatio-temporal structures of dynamic heterogeneities in glass-forming liquids. Molecular dynamics simulations are carried out for the supercooled states of various prototype models of glass-forming liquids such as binary Kob-Andersen, Wahnström, soft-sphere, and network-for...

متن کامل

Computer Simulations of Supercooled Liquids and Glasses

After a brief introduction to the dynamics of supercooled liquids, we discuss some of the advantages and drawbacks of computer simulations of such systems. Subsequently we present the results of computer simulations in which the dynamics of a fragile glass former, a binary Lennard-Jones system, is compared to the one of a strong glass former, SiO2. This comparison gives evidence that the reason...

متن کامل

Computing the viscosity of supercooled liquids.

We describe an atomistic method for computing the viscosity of highly viscous liquids based on activated state kinetics. A basin-filling algorithm allowing the system to climb out of deep energy minima through a series of activation and relaxation is proposed and first benchmarked on the problem of adatom diffusion on a metal surface. It is then used to generate transition state pathway traject...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Journal of physics. Condensed matter : an Institute of Physics journal

دوره 21 28  شماره 

صفحات  -

تاریخ انتشار 2009