Structure and phase boundaries of compressed liquid hydrogen

We have mapped the molecular-atomic transition in liquid hydrogen using first principles molecular dynamics. We predict that a molecular phase with short-range orientational order exists at pressures above 100 GPa. The presence of this ordering and the structure emerging near the dissociation transition provide an explanation for the sharpness of the molecular-atomic crossover and the concurrent pressure drop at high pressures. Our findings have non-trivial implications for simulations of hydrogen; previous equation of state data for the molecular liquid may require revision. Arguments for the possibility of a $1^{st}$ order liquid-liquid transition are discussed

Scientific intuition inspired by machine learning-generated hypotheses

Machine learning with application to questions in the physical sciences has become a widely used tool, successfully applied to classification, regression and optimization tasks in many areas. Research focus mostly lies in improving the accuracy of the machine learning models in numerical predictions, while scientific understanding is still almost exclusively generated by human researchers analysing numerical results and drawing conclusions. In this work, we shift the focus on the insights and the knowledge obtained by the machine learning models themselves. In particular, we study how it can be extracted and used to inspire human scientists to increase their intuitions and understanding of natural systems. We apply gradient boosting in decision trees to extract human-interpretable insights from big data sets from chemistry and physics. In chemistry, we not only rediscover widely know rules of thumb but also find new interesting motifs that tell us how to control solubility and energy levels of organic molecules. At the same time, in quantum physics, we gain new understanding on experiments for quantum entanglement. The ability to go beyond numerics and to enter the realm of scientific insight and hypothesis generation opens the door to use machine learning to accelerate the discovery of conceptual understanding in some of the most challenging domains of science

Random and ordered phases of off-lattice rhombus tiles

We study the covering of the plane by non-overlapping rhombus tiles, a problem well-studied only in the limiting case of dimer coverings of regular lattices. We go beyond this limit by allowing tiles to take any position and orientation on the plane, to be of irregular shape, and to possess different types of attractive interactions. Using extensive numerical simulations we show that at large tile densities there is a phase transition from a fluid of rhombus tiles to a solid packing with broken rotational symmetry. We observe self-assembly of broken-symmetry phases, even at low densities, in the presence of attractive tile-tile interactions. Depending on tile shape and interactions the solid phase can be random, possessing critical orientational fluctuations, or crystalline. Our results suggest strategies for controlling tiling order in experiments involving `molecular rhombi'.Comment: Supp. Info. and version with high-res figures at http://nanotheory.lbl.gov/people/rhombus_paper/rhombus.htm

The Resolved Asteroid Program - Size, shape, and pole of (52) Europa

With the adaptive optics (AO) system on the 10 m Keck-II telescope, we acquired a high quality set of 84 images at 14 epochs of asteroid (52) Europa on 2005 January 20. The epochs covered its rotation period and, by following its changing shape and orientation on the plane of sky, we obtained its triaxial ellipsoid dimensions and spin pole location. An independent determination from images at three epochs obtained in 2007 is in good agreement with these results. By combining these two data sets, along with a single epoch data set obtained in 2003, we have derived a global fit for (52) Europa of diameters (379x330x249) +/- (16x8x10) km, yielding a volume-equivalent spherical-diameter of 315 +/- 7 km, and a rotational pole within 7 deg of [RA; Dec] = [257,+12] in an Equatorial J2000 reference frame (ECJ2000: 255,+35). Using the average of all mass determinations available forEuropa, we derive a density of 1.5 +/- 0.4, typical of C-type asteroids. Comparing our images with the shape model of Michalowski et al. (A&A 416, 2004), derived from optical lightcurves, illustrates excellent agreement, although several edge features visible in the images are not rendered by the model. We therefore derived a complete 3-D description of Europa's shape using the KOALA algorithm by combining our imaging epochs with 4 stellar occultations and 49 lightcurves. We use this 3-D shape model to assess these departures from ellipsoidal shape. Flat facets (possible giant craters) appear to be less distinct on (52) Europa than on other C-types that have been imaged in detail. We show that fewer giant craters, or smaller craters, is consistent with its expected impact history. Overall, asteroid (52) Europa is still well modeled as a smooth triaxial ellipsoid with dimensions constrained by observations obtained over several apparitions.Comment: Accepted for publication in Icaru

Common physical framework explains phase behavior and dynamics of atomic, molecular, and polymeric network formers

We show that the self-assembly of a diverse collection of building blocks can be understood within a common physical framework. These building blocks, which form periodic honeycomb networks and nonperiodic variants thereof, range in size from atoms to micron-scale polymers and interact through mechanisms as different as hydrogen bonds and covalent forces. A combination of statistical mechanics and quantum mechanics shows that one can capture the physics that governs the assembly of these networks by resolving only the geometry and strength of building-block interactions. The resulting framework reproduces a broad range of phenomena seen experimentally, including periodic and nonperiodic networks in thermal equilibrium, and nonperiodic supercooled and glassy networks away from equilibrium. Our results show how simple “design criteria” control the assembly of a wide variety of networks and suggest that kinetic trapping can be a useful way of making functional assemblies

External-field-induced tricritical point in a fluctuation-driven nematic-smectic-A transition

We study theoretically the effect of an external field on the nematic-smectic-A (NA) transition close to the tricritical point, where fluctuation effects govern the qualitative behavior of the transition. An external field suppresses nematic director fluctuations, by making them massive. For a fluctuation-driven first-order transition, we show that an external field can drive the transition second-order. In an appropriate liquid crystal system, we predict the required magnetic field to be of order 10 T. The equivalent electric field is of order $1 V/\mu m$.Comment: revtex, 4 pages, 1 figure; revised version, some equations have been modifie

Emergent Rhombus Tilings from Molecular Interactions with M-fold Rotational Symmetry

© 2015 American Physical Society. We show that model molecules with particular rotational symmetries can self-assemble into network structures equivalent to rhombus tilings. This assembly happens in an emergent way, in the sense that molecules spontaneously select irregular fourfold local coordination from a larger set of possible local binding geometries. The existence of such networks can be rationalized by simple geometrical arguments, but the same arguments do not guarantee a network's spontaneous self-assembly. This class of structures must in certain regimes of parameter space be able to reconfigure into networks equivalent to triangular tilings

Results from a Near Infrared Search for Emission-line Stars in the Inner Galaxy: Spectra of New Wolf-Rayet Stars

We present follow-up spectroscopy of emission line candidates detected on near-infrared narrow band images in the inner Galaxy (Homeier et al. 2003). The filters are optimized for the detection of Wolf-Rayet stars and other objects which exhibit emission--lines in the 2 $\mu$m region. Approximately three square degrees along the Galactic plane have been analyzed in seven narrow--filters (four emission--lines and three continuum). We have discovered 4 new Wolf-Rayet stars and present coordinates, finding charts, and K-band spectra.Comment: To appear in Astronomy & Astrophysic

The nature of the Galactic Center source IRS 13 revealed by high spatial resolution in the infrared

High spatial resolution observations in the 1 to 3.5 micron region of the Galactic Center source known historically as IRS 13 are presented. They include ground-based adaptive optics images in the H, Kp (2.12/0.4 micron) and L bands, NICMOS data in filters between 1.1 and 2.2 micron, and integral field spectroscopic data from BEAR, an Imaging FTS, in the HeI 2.06 micron and the Br$\gamma$ line regions. Analysis of all these data provides a completely new picture of the main component, IRS 13E, which appears as a cluster of seven individual stars within a projected diameter of ~0.5'' (0.02 pc). The brightest sources, 13E1, 13E2, 13E3 (a binary), and 13E4, are all massive stars, 13E1 a blue object, with no detected emission line while 13E2 and 13E4 are high-mass emission line stars. 13E2 is at the WR stage and 13E4 a massive O-type star. 13E3A and B are extremely red objects, proposed as other examples of dusty WR stars. All these sources have a common westward proper motion. 13E5, is a red source similar to 13E3A/B. This concentration of comoving massive hot stars, IRS 13E, is proposed as the remaining core of a massive star cluster, which could harbor an intermediate-mass black hole (IMBH) of ~1300 M_sol. This detection plays in favor of a scenario in which the helium stars and the other hot stars in the central pc originate from the stripping of a massive cluster formed several tens of pc from the center. The detection of a discrete X-ray emission (Baganoff et al. 2003) at the IRS~13 position is examined in this context.Comment: 14 pages, 6 figures (3 in color), LaTeX2e, accepted in A&

Near-Infrared Mapping and Physical Properties of the Dwarf-Planet Ceres

We study the physical characteristics (shape, dimensions, spin axis direction, albedo maps, mineralogy) of the dwarf-planet Ceres based on high-angular resolution near-infrared observations. We analyze adaptive optics J/H/K imaging observations of Ceres performed at Keck II Observatory in September 2002 with an equivalent spatial resolution of ~50 km. The spectral behavior of the main geological features present on Ceres is compared with laboratory samples. Ceres' shape can be described by an oblate spheroid (a = b = 479.7 +/- 2.3 km, c = 444.4 +/- 2.1 km) with EQJ2000.0 spin vector coordinates RA = 288 +/- 5 deg. and DEC = +66 +/- 5 deg. Ceres sidereal period is measured to be 9.0741 +/- 0.0001 h. We image surface features with diameters in the 50-180 km range and an albedo contrast of ~6% with respect to the average Ceres albedo. The spectral behavior of the brightest regions on Ceres is consistent with phyllosilicates and carbonate compounds. Darker isolated regions could be related to the presence of frost.Comment: 11 pages, 8 Postscript figures, Accepted for publication in A&