“Ideal glassformers” vs “ideal glasses”: Studies of crystal-free routes to the glassy state by “potential tuning” molecular dynamics, and laboratory calorimetry

We report the results of a large scale computer simulation of a binary supercooled Lennard-Jones liquid. We find that at low temperatures the curves for the mean squared displacement of a tagged particle for different temperatures fall onto a master curve when they are plotted versus rescaled time \(tD(T)\), where \(D(T)\) is the diffusion constant. The time range for which these curves follow the master curve is identified with the \(\alpha\)-relaxation regime of mode-coupling theory (MCT). This master curve is fitted well by a functional form suggested by MCT. In accordance with idealized MCT, \(D(T)\) shows a power-law behavior at low temperatures. The critical temperature of this power-law is the same for both types of particle and also the critical exponents are very similar. However, contrary to a prediction of MCT, these exponents are not equal to the ones determined previously for the divergence of the relaxation times of the intermediate scattering function [Phys. Rev. Lett. {\bf 73}, 1376 (1994)]. At low temperatures the van Hove correlation function (self as well as distinct part) shows hardly any sign of relaxation in a time interval that extends over about three decades in time. This time interval can be interpreted as the \(\beta\)-relaxation regime of MCT. From the investigation of these correlation functions we conclude that hopping processes are not important on the time scale of the \(\beta\)-relaxation for this system and for the temperature range investigated. We test whether the factorization property predicted by MCT holds and find that this is indeed the case for all correlation functions investigated. The distance dependence of the critical amplitudes are in qualitative accordance with the ones predicted by MCT for some other mixtures. The non-gaussian parameter for the self part of the van

Packing problems, such as how densely objects can fill a volume, are among the most ancient and persistent problems in mathematics and science. For equal spheres, it has only recently been proved that the face-centered cubic lattice has the highest possible packing fraction phi=pi/18 approximately 0.74. It is also well known that certain random (amorphous) jammed packings have phi approximately 0.64. Here, we show experimentally and with a new simulation algorithm that ellipsoids can randomly pack more densely-up to phi= 0.68 to 0.71 for spheroids with an aspect ratio close to that of M&M's Candies-and even approach phi approximately 0.74 for ellipsoids with other aspect ratios. We suggest that the higher density is directly related to the higher number of degrees of freedom per particle and thus the larger number of particle contacts required to mechanically stabilize the packing. We measured the number of contacts per particle Z approximately 10 for our spheroids, as compared to Z approximately 6 for spheres. Our results have implications for a broad range of scientific disciplines, including the properties of granular media and ceramics, glass formation, and discrete geometry.

Recently it has been revealed that when approaching the glass-transition temperature, T(g), the dynamics of a liquid not only drastically slows down, but also becomes progressively more heterogeneous. From our simulations and experiments of six different glass-forming liquids, we find that the heterogeneous dynamics is a result of critical-like fluctuations of static structural order, contrary to a common belief that it is purely of dynamic origin. The static correlation length and susceptibility of a structural order parameter show Ising-like power-law divergence towards the ideal glass-transition point. However, this structural ordering accompanies little density change, which explains why it has not been detected by the static structure factor so far. Our results suggest a far more direct link than thought before between glass transition and critical phenomena. Indeed, the glass transition may be a new type of critical phenomenon where a structural order parameter is directly linked to slowness.