MATERIALS SCIENCE: Weird Gold Nanowires.

When the dimensions of matter are reduced to the nanometer scale and beyond, strange properties often emerge. In their Perspective, Tosatti and Prestipino discuss the weird gold nanowire structures reported by Kondo and Takayanagi. They explain why the wires may be helical and only form certain "magic" sizes. Other metals may form similarly strange structures with unusual properties.

String tension and stability of magic tip-suspended nanowires.

Multishell helical gold nanowires were recently imaged by electron microscopy. We show theoretically that the contact with the gold tips at either end of the wire plays a crucial role and that local minima in the string tension rather than the total wire free energy determine the nanowire stability. Density functional electronic structure calculations of the simplest and thinnest coaxial gold and silver wires of variable radius and chirality were carried out. We found a string tension minimum for a single-tube gold nanowire that is chiral and consists of seven strands, in striking agreement with observation. In contrast, no such minimum was found for silver, where the s-d competition leading to surface reconstruction is lacking.

Markov state modeling of sliding friction.

Markov state modeling (MSM) has recently emerged as one of the key techniques for the discovery of collective variables and the analysis of rare events in molecular simulations. In particular in biochemistry this approach is successfully exploited to find the metastable states of complex systems and their evolution in thermal equilibrium, including rare events, such as a protein undergoing folding. The physics of sliding friction and its atomistic simulations under external forces constitute a nonequilibrium field where relevant variables are in principle unknown and where a proper theory describing violent and rare events such as stick slip is still lacking. Here we show that MSM can be extended to the study of nonequilibrium phenomena and in particular friction. The approach is benchmarked on the Frenkel-Kontorova model, used here as a test system whose properties are well established. We demonstrate that the method allows the least prejudiced identification of a minimal basis of natural microscopic variables necessary for the description of the forced dynamics of sliding, through their probabilistic evolution. The steps necessary for the application to realistic frictional systems are highlighted.

Activation of alpha 6 GABAA receptors on depolarized cerebellar parallel fibers elicits glutamate release through anion channels.

Rat cerebellar synaptosomes labeled with [3H]D-aspartate ([3H]D-ASP) were exposed in superfusion to muscimol. The GABA(A) receptor agonist did not affect [3H]D-ASP basal release or the overflow provoked by 15mM K(+); muscimol potentiated the 35mM K(+)-evoked overflow of [3H]D-ASP or endogenous glutamate. Membrane potential measured by Rhodamine 6G fluorescence was -65mV under resting conditions and -32mV in the presence of 35mM K(+). The membrane potential was not significantly affected by muscimol. The muscimol effect on the K(+)(35mM)-evoked [3H]D-ASP overflow was not inhibited by omitting external Ca(2+) or by entrapping BAPTA to chelate cytosolic Ca(2+). Muscimol lost its ability to release glutamate following superfusion with D-aspartate to deplete cytosolic glutamate by heteroexchange suggesting that GABA(A) receptor activation elicits release of cytosolic glutamate. The non-transportable glutamate carrier blockers dihydrokainate or DL-TBOA did not reduce the muscimol potentiation. This was abolished by the anion channel blockers niflumic acid and NPPB. To conclude, when cerebellar parallel fiber terminals are sufficiently depolarized, activation of alpha6 GABA(A) receptors on these terminals mediates glutamate release in addition to that evoked by depolarization. This extra-release does not occur by exocytosis or transporter reversal but involves the opening of anion channels present on parallel fiber terminals.

Unusual phase behavior of one-component systems with two-scale isotropic interactions.

We study the phase behavior of systems of particles interacting through pair potentials with a hard core plus a soft repulsive component. We consider several different forms of soft repulsion, including a square shoulder, a linear ramp and a quasi-exponential tail. The common feature of these potentials is the presence of two repulsive length scales, which may be the origin of unusual phase behaviors such as polyamorphism both in the equilibrium liquid phase and in the glassy state, water-like anomalies in the liquid state and anomalous melting at very high pressures.

Two-dimensional lattice liquids

Evidence is presented, based on transfer-matrix and Monte Carlo calculations, for the occurrence of a gas-liquid phase transition in suitably constructed, two-dimensional lattice-gas models with extended hard-core repulsion on the triangular lattice. Three different models having this property are identified. The first system is characterized by nearest-neighbor exclusion and an interparticle attraction ranging from second- to fourth-neighbor distance. In a further example, the hard core reaches second neighbors, while the attraction ranges from third to fifth neighbors. Finally, in a third model, the core extends up to fourth neighbors, while the attraction covers all distances from fifth to eighth neighbors. I discuss how to use these results in order to make a realistic lattice simulation of the triangular, (111) surface of a fcc solid.