ترغب بنشر مسار تعليمي؟ اضغط هنا

Glass formation in a mixture of hard disks and hard ellipses

119   0   0.0 ( 0 )
 نشر من قبل Wensheng Xu Dr.
 تاريخ النشر 2015
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

We present an event-driven molecular dynamics study of glass formation in two-dimensional binary mixtures composed of hard disks and hard ellipses, where both types of particles have the same area. We demonstrate that characteristic glass-formation behavior appears upon compression under appropriate conditions in such systems. In particular, while a rotational glass transition occurs only for the ellipses, both types of particles undergo a kinetic arrest in the translational degrees of freedom at a single density. The translational dynamics for the ellipses is found to be faster than that for the disks within the same system, indicating that shape anisotropy promotes the translational motion of particles. We further examine the influence of mixtures composition and aspect ratio on the glass formation. For the mixtures with an ellipse aspect ratio of $k=2$, both translational and rotational glass transition densities decrease with increasing the disk concentration at a similar rate and hence, the two glass transitions remain close to each other at all concentrations investigated. By elevating $k$, however, the rotational glass transition density diminishes at a faster rate than the translational one, leading to the formation of an orientational glass for the ellipses between the two transitions. Our simulations imply that mixtures of particles with different shapes emerge as a promising model for probing the role of particle shape in determining the properties of glass-forming liquids. Furthermore, our work illustrates the potential of using knowledge concerning the dependence of glass-formation properties on mixtures composition and particle shape to assist in the rational design of amorphous materials.

قيم البحث

اقرأ أيضاً

We present an event-driven molecular dynamics study for hard ellipses and assess the effects of aspect ratio and area fraction on their physical properties. For state points in the plane of aspect ratio (k=1-9) and area fraction (phi=0.01-0.8), we id entify three different phases, including isotropic, plastic and nematic states. The equation of state (EOS) is shown for a wide range of aspect ratios and is compared with the scaled particle theory (SPT) for the isotropic states. We find that SPT provides a good description of the EOS for the isotropic phase of hard ellipses. At large fixed phi, the reduced pressure p increases with k in both the isotropic and the plastic phases, and interestingly, its dependence on k is rather weak in the nematic phase. We rationalize the thermodynamics of hard ellipses in terms of particle motions. The plastic crystal is shown to form for aspect ratios up to k=1.4, while appearance of the stable nematic phase starts approximately at k=3. We quantitatively determine the locations of the isotropic-plastic (I-P) transition and the isotropic-nematic (I-N) transition by analyzing the bond-orientation correlations and the angular correlations, respectively. As expected, the I-P transition point is found to increase with k, while a larger k leads to a smaller area fraction where the I-N transition takes place. Moreover, our simulations strongly support that the two-dimensional nematic phase in hard ellipses has only quasi-long-range orientational order. The self-diffusion of hard ellipses is further explored and connections are revealed between the structure and the self-diffusion. We discuss the relevance of our results to the glass transition in hard ellipses. Finally, the results of the isodiffusivity lines are evaluated for hard ellipses and we discuss the effect of spatial dimension on the diffusive dynamics of hard ellipsoidal particles.
We study the thermodynamic and dynamic phase transitions in two-dimensional polydisperse hard disks using Monte Carlo methods. A conventional local Monte Carlo algorithm allows us to observe a dynamic liquid-glass transition at a density, which depen ds very little on the degree of polydispersity. We furthermore apply Monte Carlo methods which sample the Boltzmann equilibrium distribution at any value of the density and polydispersity, and remain ergodic even far within the glass. We find that the dynamical transition is not accompanied by a thermodynamic transition in this two-dimensional system so that the glass is thermodynamically identical to the liquid. Moreover, we scrutinize the polydispersity-driven transition from the crystal into the disordered phase (liquid or glass). Our results indicate the presence of a continuous (Kosterlitz-Thouless type) transition upon increase of the polydispersity.
We prepared a buoyancy matched binary mixture of polydisperse polystyrene microgel spheres of size ratio 0.785 and at a volume fraction of 0.567 just below the kinetic glass transition. In line with theoretical expectations, a eutectic phase behavior was observed, but only a minor fraction of the samples crystallized at all. By adding a short non-adsorbing polymer we enforce inter-species fractionation into coexisting pure component crystals, which in turn also shows signs of intra-species fractionation. We show that in formerly inaccessible regions of the phase diagram binary hard sphere physics is made observable using attractive hard spheres. Ancillary files: Correction to Soft Matter 2012, 8, 627
106 - S. Mandal , S. Lang , M. Gross 2014
Glass forming liquids exhibit a rich phenomenology upon confinement. This is often related to the effects arising from wall-fluid interactions. Here we focus on the interesting limit where the separation of the confining walls becomes of the order of a few particle diameters. For a moderately polydisperse, densely packed hard-sphere fluid confined between two smooth hard walls, we show via event-driven molecular dynamics simulations the emergence of a multiple reentrant glass transition scenario upon a variation of the wall separation. Using thermodynamic relations, this reentrant phenomenon is shown to persist also under constant chemical potential. This allows straightforward experimental investigation and opens the way to a variety of applications in micro- and nanotechnology, where channel dimensions are comparable to the size of the contained particles. The results are in-line with theoretical predictions obtained by a combination of density functional theory and the mode-coupling theory of the glass transition.
Colloidal Laves phases (LPs) of $MgCu_2$ type are promising precursors for diamond structure photonic materials. They have been predicted for hard sphere binary mixtures, but not yet observed. We here report a time resolved static light scattering st udy on their formation in a binary mixture of buoyant experimental hard sphere approximants (size ratio $Gamma=0.77$, molar fraction of small spheres $x_S = 0.76$) for volume fractions between melting and the glass transition. In line with theoretical expectation, all samples form LPs of $MgZn_2$ structure on the time scale of weeks to months. $MgNi_2$ structures are absent, $MgCu_2$ structures and randomly stacked LPs prevail at elevated volume fraction. The addition of small amounts of non-adsorbing polymer switches the interaction to depletion attractive and results in significantly accelerated crystallization kinetics and improved crystal quality.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا