Long-wavelength density fluctuations as nucleation precursors

Recent theories of nucleation that go beyond Classical Nucleation Theory predict that diffusion-limited nucleation of both liquid droplets and of crystals from a low-density vapor (or weak solution) begins with long-wavelength density fluctuations. This means that in the early stages of nucleation, 'clusters' can have low density but large spatial extent, which is at odds with the classical picture of arbitrarily small clusters of the condensed phase. We present the results of kinetic Monte Carlo simulations using Forward Flux Sampling to show that these predictions are confirmed: namely that on average, nucleation begins in the presence of low-amplitude, but spatially extended density fluctuations thus confirming a significant prediction of the non-classical theory

Solvent-mediated interactions between nanostructures: from water to Lennard-Jones liquid

Solvent-mediated interactions emerge from complex mechanisms that depend on the solute structure, its wetting properties and the nature of the liquid. While numerous studies have focused on the two first influences, here, we compare results from water and Lennard-Jones liquid in order to reveal to what extent solvent-mediated interactions are universal with respect to the nature of the liquid. Besides the influence of the liquid, results were obtained with classical density functional theory and brute-force molecular dynamics simulations which allows us to contrast these two numerical techniques

Lattice induced crystallization of nanodroplets: the role of finite-size effects and substrate properties in controlling polymorphism

Targeting specific technological applications requires the control of nanoparticle properties, especially the crystalline polymorph. Freezing a nanodroplet deposited on a solid substrate leads to the formation of crystalline structures. We study the inherent mechanisms underlying this general phenomenon by means of molecular dynamics simulations. Our work shows that different crystal structures can be selected by finely tuning the solid substrate lattice parameter. Indeed, while for our system, face-centered cubic is usually the most preponderant structure, the growth of two distinct polymorphs, hexagonal centered packing and body-centered cubic, was also observed even when the solid substrate was face-centered cubic. Finally, we also demonstrated that the growth of hexagonal centered packing is conditioned by the appearance of large enough body-centered cubic clusters thus suggesting the presence of a cross-nucleation pathway. Our results provide insights into the impact of nanoscale effects and solid substrate properties towards the growth of polymorphic nanomaterials

Finite-Size Scaling Exponents of the Lipkin-Meshkov-Glick Model

We study the ground state properties of the critical Lipkin-Meshkov-Glick model. Using the Holstein-Primakoff boson representation, and the continuous unitary transformation technique, we compute explicitly the finite-size scaling exponents for the energy gap, the ground state energy, the magnetization, and the spin-spin correlation functions. Finally, we discuss the behavior of the two-spin entanglement in the vicinity of the phase transition.Comment: 4 pages, published versio

Microscopic prediction of skyrmion lattice state in clean interface superconductors

When an in-plane field is applied to a clean interface superconductor, a Fulde-Ferrell-Larkin-Ovchinnikov (FFLO)-like phase is stabilized. This phase has a $\mathrm{U}(1)\times\mathrm{U}(1)$ symmetry and, in principle, this symmetry allows for flux carrying topological excitations different from Abrikosov vortices (which are the simplest defects associated with $S^1 \to S^1$ maps). However, in practice, largely due to electromagnetic and other intercomponent interactions, such topological excitations are very rare in superconducting systems. Here we demonstrate that a realistic microscopic theory for interface superconductors, such as SrTiO$_3$/LaAlO$_3$, predicts an unconventional magnetic response where the flux-carrying objects are skyrmions, characterized by homotopy invariants of $S^2 \to S^2$ maps. Additionally, we show that this microscopic theory predicts that stable fractional vortices form near the boundary of these superconductors. It also predicts the appearance of type-1.5 superconductivity for some range of parameters. Central to these results is the assumption that the Rashba spin orbit coupling is much larger than the superconducting gap.Comment: Replaced with a version in print in Phys. Rev. B; Improved and extended as compared to the first version; 10 pages, 6 figure

Compact and Flexible Basis Functions for Quantum Monte Carlo Calculations

Molecular calculations in quantum Monte Carlo frequently employ a mixed basis consisting of contracted and primitive Gaussian functions. While standard basis sets of varying size and accuracy are available in the literature, we demonstrate that reoptimizing the primitive function exponents within quantum Monte Carlo yields more compact basis sets for a given accuracy. Particularly large gains are achieved for highly excited states. For calculations requiring non-diverging pseudopotentials, we introduce Gauss-Slater basis functions that behave as Gaussians at short distances and Slaters at long distances. These basis functions further improve the energy and fluctuations of the local energy for a given basis size. Gains achieved by exponent optimization and Gauss-Slater basis use are exemplified by calculations for the ground state of carbon, the lowest lying excited states of carbon with $^5S^o$, $^3P^o$, $^1D^o$, $^3F^o$ symmetries, carbon dimer, and naphthalene. Basis size reduction enables quantum Monte Carlo treatment of larger molecules at high accuracy.Comment: 8 Pages, 2 Figures, 9 Table

Intermediate Mass Black Holes and Nearby Dark Matter Point Sources: A Critical Reassessment

The proposal of a galactic population of intermediate mass black holes (IMBHs), forming dark matter (DM) ``mini-spikes'' around them, has received considerable attention in recent years. In fact, leading in some scenarios to large annihilation fluxes in gamma rays, neutrinos and charged cosmic rays, these objects are sometimes quoted as one of the most promising targets for indirect DM searches. In this letter, we apply a detailed statistical analysis to point out that the existing EGRET data already place very stringent limits on those scenarios, making it rather unlikely that any of these objects will be observed with, e.g., the Fermi/GLAST satellite or upcoming Air Cherenkov telescopes. We also demonstrate that prospects for observing signals in neutrinos or charged cosmic rays seem even worse. Finally, we address the question of whether the excess in the cosmic ray positron/electron flux recently reported by PAMELA/ATIC could be due to a nearby DM point source like a DM clump or mini-spike; gamma-ray bounds, as well as the recently released Fermi cosmic ray electron and positron data, again exclude such a possibility for conventional DM candidates, and strongly constrain it for DM purely annihilating into light leptons.Comment: 4 pages revtex4, 4 figures. Improved analysis and discussion, added constraints from Fermi data, corrected figures and updated reference