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Register a new userHow a Supercooled Liquid Borrows Structure from the Crystal
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Using computer simulations, we establish that the structure of a supercooled binary atomic liquid mixture consists of common neighbour structures similar to those found in the equilibrium crystal phase, a Laves structure. Despite the large accumulation of crystal-like structure, we establish that the supercooled liquid represents a true metastable liquid and that liquid can borrow crystal structure without being destabilized. We consider whether this feature might be the origin of all instances of liquids of a strongly favoured local structure.
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A novel liquid-liquid phase transition has been proposed and investigated in a wide variety of pure substances recently, including water, silica and silicon. From computer simulations using the Stillinger-Weber classical empirical potential, Sastry and Angell [1] demonstrated a first order liquid-liquid transition in supercooled silicon, subsequently supported by experimental and simulation studies. Here, we report evidence for a liquid-liquid critical end point at negative pressures, from computer simulations using the SW potential. Compressibilities exhibit a growing maximum upon lowering temperature below 1500 K and isotherms exhibit density discontinuities below 1120 K, at negative pressure. Below 1120 K, isotherms obtained from constant volume-temperature simulations exhibit non-monotonic, van der Waals-like behavior signaling a first order transition. We identify Tc ~ 1120 +/- 12 K, Pc -0.60 +/- 0.15 GPa as the critical temperature and pressure for the liquid-liquid critical point. The structure of the liquid changes dramatically upon decreasing the temperature and pressure. Diffusivities vary over 4 orders of magnitude, and exhibit anomalous pressure dependence near the critical point. A strong relationship between local geometry quantified by the coordination number, and diffusivity, is seen, suggesting that atomic mobility in both low and high density liquids can usefully be analyzed in terms of defects in the tetrahedral network structure. We have constructed the phase diagram of supercooled silicon. We identify the lines of compressibility, density extrema (maxima and minima) and the spinodal which reveal the interconnection between thermodynamic anomalies and the phase behaviour of the system as suggested in previous works [2-9]
We study the optical properties of gold nanoparticles coated with a nematic liquid crystal whose director field is distributed around the nanoparticle according to the anchoring conditions at the surface of the nanoparticle. The distribution of the nematic liquid crystal is obtained by minimization of the corresponding Frank free-energy functional whilst the optical response is calculated by the discrete-dipole approximation. We find, in particular, that the anisotropy of the nematic liquid-crystal coating does not affect much the (isotropic) optical response of the nanoparticle. However, for strong anchoring of the nematic liquid-crystal molecules on the surface of nanoparticle, the inhomogeneity of the coating which is manifested by a ring-type singularity (disclination or Saturn ring), produces an enhancement of the extinction cross spectrum over the entire visible spectrum.
Auxetic materials have the counter-intuitive property of expanding rather than contracting perpendicular to an applied stretch, formally they have negative Poissons Ratios (PRs).[1,2] This results in properties such as enhanced energy absorption and indentation resistance, which means that auxetics have potential for applications in areas from aerospace to biomedical industries.[3,4] Existing synthetic auxetics are all created by carefully structuring porous geometries from positive PR materials. Crucially, their geometry causes the auxeticity.[3,4] The necessary porosity weakens the material compared to the bulk and the structure must be engineered, for example, by using resource-intensive additive manufacturing processes.[1,5] A longstanding goal for researchers has been the development of a synthetic material that has intrinsic auxetic behaviour. Such molecular auxetics would avoid porosity-weakening and their very existence implies chemical tuneability.[1,4-9] However molecular auxeticity has never previously been proven for a synthetic material.[6,7] Here we present a synthetic molecular auxetic based on a monodomain liquid crystal elastomer (LCE). When stressed perpendicular to the alignment direction, the LCE becomes auxetic at strains greater than approximately 0.8 with a minimum PR of -0.8. The critical strain for auxeticity coincides with the occurrence of a negative liquid crystal order parameter (LCOP). We show the auxeticity agrees with theoretical predictions derived from the Warner and Terentjev theory of LCEs.[10] This demonstration of a synthetic molecular auxetic represents the origin of a new approach to producing molecular auxetics with a range of physical properties and functional behaviours. Further, it demonstrates a novel feature of LCEs and a route for realisation of the molecular auxetic technologies that have been proposed over the years.
The stability of the equilibrium configurations of a nematic liquid crystal confined between two coaxial cylinders is analysed when a radial electric field is applied and the flexoelectric effect is taken into account. The threshold for perturbations depending only on the radius r in the cylindrical coordinate system and strong boundary conditions is studied. A new type of orientational transition caused by pure flexoelectric effect is found.
Liquid crystal networks exploit the coupling between the responsivity of liquid-crystalline mesogens, e.g., to electric fields, and the (visco)elastic properties of a polymer network. Because of this, these materials have been put forward for a wide array of applications, including responsive surfaces such as artificial skins and membranes. For such applications, the desired functional response must generally be realized under strict geometrical constraints, such as provided by supported thin films. To model such settings, we present a dynamical, spatially-heterogeneous Landau-type theory for electrically-actuated liquid crystal network films. We find that the response of the liquid crystal network permeates the film from top to bottom, and illustrate how this affects the time scale associated with macroscopic deformation. Finally, by linking our model parameters to experimental quantities, we suggest that the permeation rate can be controlled by varying the aspect ratio of the mesogens and their degree of orientational order when cross-linked into the polymer network, for which we predict a single optimum. Our results contribute specifically to the rational design of future applications involving transport or on-demand release of molecular cargo in liquid crystal network films.
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