Size effects and dislocation patterning in two-dimensional bending

We perform atomistic Monte Carlo simulations of bending a Lennard-Jones single crystal in two dimensions. Dislocations nucleate only at the free surface as there are no sources in the interior of the sample. When dislocations reach sufficient density, they spontaneously coalesce to nucleate grain boundaries, and the resulting microstructure depends strongly on the initial crystal orientation of the sample. In initial yield, we find a reverse size effect, in which larger samples show a higher scaled bending moment than smaller samples for a given strain and strain rate. This effect is associated with source-limited plasticity and high strain rate relative to dislocation mobility, and the size effect in initial yield disappears when we scale the data to account for strain rate effects. Once dislocations coalesce to form grain boundaries, the size effect reverses and we find that smaller crystals support a higher scaled bending moment than larger crystals. This finding is in qualitative agreement with experimental results. Finally, we observe an instability at the compressed crystal surface that suggests a novel mechanism for the formation of a hillock structure. The hillock is formed when a high angle grain boundary, after absorbing additional dislocations, becomes unstable and folds to form a new crystal grain that protrudes from the free surface.Comment: 15 pages, 8 figure

Structure and thermochemistry of K2_2Rb, KRb2_2 and K2_2Rb2_2

The formation and interaction of ultracold polar molecules is a topic of active research. Understanding possible reaction paths and molecular combinations requires accurate studies of the fragment and product energetics. We have calculated accurate gradient optimized ground state structures and zero point corrected atomization energies for the trimers and tetramers formed by the reaction of KRb with KRb and corresponding isolated atoms. The K${}_2$Rb andKRb${}_2$ trimers are found to have global minima at the $C_{2v}$ configurationwith atomization energies of 6065 and 5931 cm${}^{-1}$ while the tetramer is found to have two stable planar structures, of $D_{2h}$ and $C_s$ symmetry, which have atomization energies of 11131 cm${}^{-1}$ an 11133 cm${}^{-1}$, respectively. We have calculated the minimum energy reaction path for the reaction KRb+KRb to K$_2+$Rb$_2$ and found it to be barrierless

The Value of Terroir: Hedonic Estimation of Vineyard Sale Prices

We examine the value of terroir, which refers to the special characteristics of a place that impart unique qualities to the wine produced. We do this by conducting a hedonic analysis of vineyard sales in the Willamette Valley of Oregon to ascertain whether site attributes, such as slope, aspect, elevation, and soil types, or designated appellations are more important determinants of price. We find that prices are strongly determined by sub-AVA appellation designations, but not by specific site attributes. These results indicate that the concept of terroir matters economically, although the reality of terroir – as proxied for by locational attributes – is not significantWine, Vineyard, Hedonic Price Analysis

Description of nuclear systems with a self-consistent configuration-mixing approach. I: Theory, algorithm, and application to the 12^{12}C test nucleus

Although self-consistent multi-configuration methods have been used for decades to address the description of atomic and molecular many-body systems, only a few trials have been made in the context of nuclear structure. This work aims at the development of such an approach to describe in a unified way various types of correlations in nuclei, in a self-consistent manner where the mean-field is improved as correlations are introduced. The goal is to reconcile the usually set apart Shell-Model and Self-Consistent Mean-Field methods. This approach is referred as "variational multiparticle-multihole configuration mixing method". It is based on a double variational principle which yields a set of two coupled equations that determine at the same time the expansion coefficients of the many-body wave function and the single particle states. The formalism is derived and discussed in a general context, starting from a three-body Hamiltonian. Links to existing many-body techniques such as the formalism of Green's functions are established. First applications are done using the two-body D1S Gogny effective force. The numerical procedure is tested on the $^{12}$C nucleus in order to study the convergence features of the algorithm in different contexts. Ground state properties as well as single-particle quantities are analyzed, and the description of the first $2^+$ state is examined. This study allows to validate our numerical algorithm and leads to encouraging results. In order to test the method further, we will realize in the second article of this series, a systematic description of more nuclei and observables obtained by applying the newly-developed numerical procedure with the same Gogny force. As raised in the present work, applications of the variational multiparticle-multihole configuration mixing method will however ultimately require the use of an extended and more constrained Gogny force.Comment: 22 pages, 18 figures, accepted for publication in Phys. Rev. C. v2: minor corrections and references adde

The thermal Hall effect of spin excitations in a Kagome magnet

At low temperatures, the thermal conductivity of spin excitations in a magnetic insulator can exceed that of phonons. However, because they are charge neutral, the spin waves are not expected to display a thermal Hall effect in a magnetic field. Recently, this semiclassical notion has been upended in quantum magnets in which the spin texture has a finite chirality. In the Kagome lattice, the chiral term generates a Berry curvature. This results in a thermal Hall conductivity $\kappa_{xy}$ that is topological in origin. Here we report observation of a large $\kappa_{xy}$ in the Kagome magnet Cu(1-3, bdc) which orders magnetically at 1.8 K. The observed $\kappa_{xy}$ undergoes a remarkable sign-reversal with changes in temperature or magnetic field, associated with sign alternation of the Chern flux between magnon bands. We show that thermal Hall experiments probe incisively the effect of Berry curvature on heat transport.Comment: 6 pages, 3 figure

The Value of Terroir: Hedonic Estimation of Vineyard Sale Prices

We examine the value of terroir, which refers to the special characteristics of a place that impart unique qualities to the wine produced. We do this by conducting a hedonic analysis of vineyard sales in the Willamette Valley of Oregon to ascertain whether site attributes, such as slope, aspect, elevation, and soil types, or designated appellations are more important determinants of price. We find that prices are strongly determined by sub-AVA appellation designations, but not by specific site attributes. These results indicate that the concept of terroir matters economically, although the reality of terroir –- as proxied for by locational attributes –- is not significant.swine, vineyard, hedonic price analysis

Ground state energy of a dilute two-dimensional Bose gas from the Bogoliubov free energy functional

We extend the analysis of the Bogoliubov free energy functional to two dimensions at very low temperatures. For sufficiently weak interactions, we prove two term asymptotics for the ground state energy.Comment: revised versio