Fluid-solid transition in hard hyper-sphere systems

In this work we present a numerical study, based on molecular dynamics simulations, to estimate the freezing point of hard spheres and hypersphere systems in dimension D = 4, 5, 6 and 7. We have studied the changes of the Radial Distribution Function (RDF) as a function of density in the coexistence region. We started our simulations from crystalline states with densities above the melting point, and moved down to densities in the liquid state below the freezing point. For all the examined dimensions (including D = 3) it was observed that the height of the first minimum of the RDF changes in an almost continuous way around the freezing density and resembles a second order phase transition. With these results we propose a numerical method to estimate the freezing point as a function of the dimension D using numerical fits and semiempirical approaches. We find that the estimated values of the freezing point are very close to previously reported values from simulations and theoretical approaches up to D = 6 reinforcing the validity of the proposed method. This was also applied to numerical simulations for D = 7 giving new estimations of the freezing point for this dimensionality.Comment: 13 pages, 10 figure

HPMC Hydrogel Formation Mechanisms Unveiled by the Evaluation of the Activation Energy

Aqueous solutions of hydroxypropyl methylcellulose (HPMC) show inverse thermoreversible gelation, i.e., they respond to small temperature variations exhibiting sol–gel transition during heating, and reversibly gel–sol transition during cooling. According to the pertinent literature on HPMC aqueous systems, at room temperature, the loss modulus (G”) is higher than the storage modulus (G’). During the heating ramp, the viscoelastic response follows a peculiar path: initially, G” and G’ smoothly decrease, then drop to a minimum and finally increase. Eventually, G’ overcomes G”, indicating the gel formation. A recent explanation of this behaviour considers a two‐step mechanism: first, phase separation occurs, then fibrils form from a polymer-rich phase and entangle, leading to a three‐dimensional network. Based on this, our research focuses on the rheological analysis of the different steps of the sol–gel transition of an HPMC aqueous solution. We perform different viscoelastic tests: thermal ramps, time sweeps, and frequency sweeps at selected characteristic temperatures. We couple classical analysis of the SAOS experiments with an innovative approach based on the evaluation of the activation energy (Ea), made possible by the instrument intrinsic temperature oscillations around the target value. Results show that Ea can be a valid tool that contributes to further clarifying the peculiar microstructural evolution occurring in this kind of thermoreversible gel

Energetics and stability of dangling-bond silicon wires on H passivated Si(100)

We evaluate the electronic, geometric and energetic properties of quasi 1-D wires formed by dangling bonds on Si(100)-H (2 x 1). The calculations are performed with density functional theory (DFT). Infinite wires are found to be insulating and Peierls distorted, however finite wires develop localized electronic states that can be of great use for molecular-based devices. The ground state solution of finite wires does not correspond to a geometrical distortion but rather to an antiferromagnetic ordering. For the stability of wires, the presence of abundant H atoms in nearby Si atoms can be a problem. We have evaluated the energy barriers for intradimer and intrarow diffusion finding all of them about 1 eV or larger, even in the case where a H impurity is already sitting on the wire. These results are encouraging for using dangling-bond wires in future devices.Comment: 8 pages, 6 figure

Decoherence in an accelerated universe

In this paper we study the decoherence processes of the semiclassical branches of an accelerated universe due to their interaction with a scalar field with given mass. We use a third quantization formalism to analyze the decoherence between two branches of a parent universe caused by their interaction with the vaccum fluctuations of the space-time, and with other parent unverses in a multiverse scenario.Comment: 11 pages, 2 figure

Belnap-Dunn semantics for natural implicative expansions of Kleene's strong three-valued matrix with two designated values

27 p.A conditional is natural if it fulfils the three following conditions. (1) It coincides with the classical conditional when restricted to the classical values T and F; (2) it satisfies the Modus Ponens; and (3) it is assigned a designated value whenever the value assigned to its antecedent is less than or equal to the value assigned to its consequent. The aim of this paper is to provide a ‘bivalent’ Belnap-Dunn semantics for all natural implicative expansions of Kleene's strong 3-valued matrix with two designated elements. (We understand the notion ‘natural conditional’ according to N. Tomova, ‘A lattice of implicative extensions of regular Kleene's logics’, Reports on Mathematical Logic, 47, 173–182, 2012.)S