Effective non-additive pair potential for lock-and-key interacting particles: the role of the limited valence

Theoretical studies of self-assembly processes and condensed phases in colloidal systems are often based on effective inter-particle potentials. Here we show that developing an effective potential for particles interacting with a limited number of ``lock-and-key'' selective bonds (due to the specificity of bio-molecular interactions) requires -- beside the non-sphericity of the potential -- a (many body) constraint that prevent multiple bonding on the same site. We show the importance of retaining both valence and bond-selectivity by developing, as a case study, a simple effective potential describing the interaction between colloidal particles coated by four single-strand DNA chains.Comment: 4 pages, 5 figure

Critical behaviors of sheared frictionless granular materials near jamming transition

Critical behaviors of sheared dense and frictionless granular materials in the vicinity of the jamming transition are numerically investigated. From the extensive molecular dynamics simulation, we verify the validity of the scaling theory near the jamming transition proposed by Otsuki and Hayakawa (Prog. Theor. Phys., 121, 647 (2009)). We also clarify the critical behaviors of the shear viscosity and the pair correlation function based on both a phenomenology and the simulation.Comment: 13pages, 26 figure

Complete bandgaps in one-dimensional left-handed periodic structures

Artificially fabricated structures with periodically modulated parameters such as photonic crystals offer novel ways of controlling the flow of light due to the existence of a range of forbidden frequencies associated with a photonic bandgap. It is believed that modulation of the refractive index in all three spatial dimensions is required to open a complete bandgap and prevent the propagation of electromagnetic waves in all directions. Here we reveal that, in a sharp contrast to what was known before and contrary to the accepted physical intuition, a one-dimensional periodic structure containing the layers of transparent left-handed (or negative-index) metamaterial can trap light in three-dimensional space due to the existence of a complete bandgap.Comment: 4 pages, 5 figure

Dynamic regimes of hydrodynamically coupled self-propelling particles

We analyze the collective dynamics of self-propelling particles (spps) which move at small Reynolds numbers including the hydrodynamic coupling to the suspending solvent through numerical simulations. The velocity distribution functions show marked deviations from Gaussian behavior at short times, and the mean-square displacement at long times shows a transition from diffusive to ballistic motion for appropriate driving mechanism at low concentrations. We discuss the structures the spps form at long times and how they correlate to their dynamic behavior.Comment: 7 pages, 4 figure

Quantifying the Reversible Association of Thermosensitive Nanoparticles

Under many conditions, biomolecules and nanoparticles associate by means of attractive bonds, due to hydrophobic attraction. Extracting the microscopic association or dissociation rates from experimental data is complicated by the dissociation events and by the sensitivity of the binding force to temperature (T). Here we introduce a theoretical model that combined with light-scattering experiments allows us to quantify these rates and the reversible binding energy as a function of T. We apply this method to the reversible aggregation of thermoresponsive polystyrene/poly(N-isopropylacrylamide) core-shell nanoparticles, as a model system for biomolecules. We find that the binding energy changes sharply with T, and relate this remarkable switchable behavior to the hydrophobic-hydrophilic transition of the thermosensitive nanoparticles

Structure characterization of hard sphere packings in amorphous and crystalline states

The channel size distribution in hard sphere systems, based on the local neighbor correlation of four particle positions, is investigated for all volume fractions up to jamming. For each particle, all three particle combinations of neighbors define channels, which are relevant for the concept of caging. The analysis of the channel size distribution is shown to be very useful in distinguishing between gaseous, liquid, partially and fully crystallized, and glassy (random) jammed states. A common microstructural feature of four coplanar particles is observed in crystalline and glassy jammed states, suggesting the presence of "hidden" two-dimensional order in three-dimensional random close packings.Comment: 5 pages, 5 figure

Fractionation effects in phase equilibria of polydisperse hard sphere colloids

The equilibrium phase behaviour of hard spheres with size polydispersity is studied theoretically. We solve numerically the exact phase equilibrium equations that result from accurate free energy expressions for the fluid and solid phases, while accounting fully for size fractionation between coexisting phases. Fluids up to the largest polydispersities that we can study (around 14%) can phase separate by splitting off a solid with a much narrower size distribution. This shows that experimentally observed terminal polydispersities above which phase separation no longer occurs must be due to non-equilibrium effects. We find no evidence of re-entrant melting; instead, sufficiently compressed solids phase separate into two or more solid phases. Under appropriate conditions, coexistence of multiple solids with a fluid phase is also predicted. The solids have smaller polydispersities than the parent phase as expected, while the reverse is true for the fluid phase, which contains predominantly smaller particles but also residual amounts of the larger ones. The properties of the coexisting phases are studied in detail; mean diameter, polydispersity and volume fraction of the phases all reveal marked fractionation. We also propose a method for constructing quantities that optimally distinguish between the coexisting phases, using Principal Component Analysis in the space of density distributions. We conclude by comparing our predictions to perturbative theories for near-monodisperse systems and to Monte Carlo simulations at imposed chemical potential distribution, and find excellent agreement.Comment: 21 pages, 23 figures, 2 table

High-Dispersion Optical Spectra of Nearby Stars Younger Than The Sun

We present high-dispersion (R~16,000) optical (3900-8700 A) spectra of 390 stars obtained with the Palomar 60 inch telescope. The majority of stars observed are part of the Spitzer Legacy Science Program "The Formation and Evolution of Planetary Systems." Through detailed analysis we determine stellar properties for this sample, including radial and rotational velocities, Li I 6708 and Ha equivalent widths, the chromospheric activity index R'_HK, and temperature- and gravity-sensitive line ratios. Several spectroscopic binaries are also identified. From our tabulations, we illustrate basic age- and rotation-related correlations among measured indices. One novel result is that Ca II chromospheric emission appears to saturate at vsini values above ~30 km/s, similar to the well established saturation of X-rays that originate in the spatially separate coronal regions.Comment: 1 electronic table; published in the Astronomical Journa