Condensed Matter Theory

Abstract:

We investigate the applicability of a mesoscale modeling approach, lattice Boltzmann simulations, to the problem of contact line motion in one- and two-component two phase fluids. In this, the second of two papers, we consider binary systems. We show that the contact line singularity is overcome by diffusion which is effective over a length scale L about the contact line and derive a scaling form for the dependence of L on system parameters.

Abstract:

We investigate the applicability of a mesoscale modeling approach, lattice Boltzmann simulations, to the problem of contact line motion in one and two component, two phase fluids. In this, the first of two papers, we consider liquid-gas systems. Careful implementation of the thermodynamic boundary condition allows us to fix the static contact angle in the simulations. We then consider the behavior of a sheared interface. We show that the contact line singularity is overcome by evaporation or condensation near the contact line which is driven by the curvature of the diffuse interface. An analytic approximation is derived for the angular position of a sheared interface.

Abstract:

In this perspective we address the question: why are proteins seemingly so hard to crystallize? We suggest that this is because of evolutionary negative design, i.e. proteins have evolved not to crystallize, because crystallization, as with any type of protein aggregation, compromises the viability of the cell. There is much evidence in the literature that supports this hypothesis, including the effect of mutations on the crystallizability of a protein, the correlations found in the properties of crystal contacts in bioinformatics databases, and the positive use of protein crystallization by bacteria and viruses.