Quantum Continuum Mechanics Made Simple

In this paper we further explore and develop the quantum continuum mechanics (CM) of [Tao \emph{et al}, PRL{\bf 103},086401] with the aim of making it simpler to use in practice. Our simplifications relate to the non-interacting part of the CM equations, and primarily refer to practical implementations in which the groundstate stress tensor is approximated by its Kohn-Sham version. We use the simplified approach to directly prove the exactness of CM for one-electron systems via an orthonormal formulation. This proof sheds light on certain physical considerations contained in the CM theory and their implication on CM-based approximations. The one-electron proof then motivates an approximation to the CM (exact under certain conditions) expanded on the wavefunctions of the Kohn-Sham (KS) equations. Particular attention is paid to the relationships between transitions from occupied to unoccupied KS orbitals and their approximations under the CM. We also demonstrate the simplified CM semi-analytically on an example system

Gastrointestinal Stromal Tumor in Pregnancy: A Case Report

Background. Gastrointestinal stromal tumors (GISTs) are the most common mesenchymal tumors of the digestive tract and are diagnosed relatively seldom in pregnancy. Case. We describe a remarkable clinical course and long-term outcome, now nine years after first diagnosis, of a massive and metastatic, with a high malignancy grade GIST case, found in and treated from the first trimester of pregnancy onwards. Conclusion. GIST occurring during pregnancy is extremely rare. However, early diagnosis is important for optimal management. The recent better understanding of oncogenesis, the use of immunohistochemistry for differential diagnosis of GISTs, and the use of imatinib mesylate as the treatment of first choice are—as shown in this case—important for care of pregnant women with this type of malignancy

Atomic quasi-Bragg diffraction in a magnetic field

We report on a new technique to split an atomic beam coherently with an easily adjustable splitting angle. In our experiment metastable helium atoms in the |{1s2s}^3S_1 M=1> state diffract from a polarization gradient light field formed by counterpropagating \sigma^+ and \sigma^- polarized laser beams in the presence of a homogeneous magnetic field. In the near-adiabatic regime, energy conservation allows the resonant exchange between magnetic energy and kinetic energy. As a consequence, symmetric diffraction of |M=0> or |M=-1> atoms in a single order is achieved, where the order can be chosen freely by tuning the magnetic field. We present experimental results up to 6th order diffraction (24 \hbar k momentum splitting, i.e., 2.21 m/s in transverse velocity) and present a simple theoretical model that stresses the similarity with conventional Bragg scattering. The resulting device constitutes a flexible, adjustable, large-angle, three-way coherent atomic beam splitter with many potential applications in atom optics and atom interferometry.Comment: 4 pages, 5 figure

Anomalous temperature evolution of the internal magnetic field distribution in the charge-ordered triangular antiferromagnet AgNiO2

Zero-field muon-spin relaxation measurements of the frustrated triangular quantum magnet AgNiO2 are consistent with a model of charge disproportionation that has been advanced to explain the structural and magnetic properties of this compound. Below an ordering temperature of T_N=19.9(2) K we observe six distinct muon precession frequencies, due to the magnetic order, which can be accounted for with a model describing the probable muon sites. The precession frequencies show an unusual temperature evolution which is suggestive of the separate evolution of two opposing magnetic sublattices.Comment: 4 pages, 3 figure

A background-priority discrete boundary triangulation method

Discrete boundary triangulation methods generate triangular meshes through the centers of the boundary voxels of a volumetric object. At some voxel configurations it may be arbitrary whether a part of the volume should be included in the object or could be classified as background. Consequently, important details such as concave and convex edges and corners are not consistently preserved in the describing geometry. We present a "background priority" version of an existing "object priority" algorithm [6]. We show that the ad hoc configurations of the well-known Discretized Marching Cubes algorithm [13] can be derived from our method and that a combined triangulation with "object priority" and "background priority" better would preserve object details

Evolutionary Algorithms with Self-adjusting Asymmetric Mutation

Evolutionary Algorithms (EAs) and other randomized search heuristics are often considered as unbiased algorithms that are invariant with respect to different transformations of the underlying search space. However, if a certain amount of domain knowledge is available the use of biased search operators in EAs becomes viable. We consider a simple (1+1) EA for binary search spaces and analyze an asymmetric mutation operator that can treat zero- and one-bits differently. This operator extends previous work by Jansen and Sudholt (ECJ 18(1), 2010) by allowing the operator asymmetry to vary according to the success rate of the algorithm. Using a self-adjusting scheme that learns an appropriate degree of asymmetry, we show improved runtime results on the class of functions OneMax$_a$ describing the number of matching bits with a fixed target $a\in\{0,1\}^n$.Comment: 16 pages. An extended abstract of this paper will be published in the proceedings of PPSN 202

Van der Waals forces in density functional theory: perturbational long-range electron interaction corrections

Long-range exchange and correlation effects, responsible for the failure of currently used approximate density functionals in describing van der Waals forces, are taken into account explicitly after a separation of the electron-electron interaction in the Hamiltonian into short- and long-range components. We propose a "range-separated hybrid" functional based on a local density approximation for the short-range exchange-correlation energy, combined with a long-range exact exchange energy. Long-range correlation effects are added by a second-order perturbational treatment. The resulting scheme is general and is particularly well-adapted to describe van der Waals complexes, like rare gas dimers.Comment: 8 pages, 1 figure, submitted to Phys. Rev.

Hybrid CPU-GPU generation of the Hamiltonian and overlap matrices in FLAPW methods

In this paper we focus on the integration of high-performance numerical libraries in ab initio codes and the portability of performance and scalability. The target of our work is FLEUR, a software for electronic structure calculations developed in the Forschungszentrum J\"ulich over the course of two decades. The presented work follows up on a previous effort to modernize legacy code by re-engineering and rewriting it in terms of highly optimized libraries. We illustrate how this initial effort to get efficient and portable shared-memory code enables fast porting of the code to emerging heterogeneous architectures. More specifically, we port the code to nodes equipped with multiple GPUs. We divide our study in two parts. First, we show considerable speedups attained by minor and relatively straightforward code changes to off-load parts of the computation to the GPUs. Then, we identify further possible improvements to achieve even higher performance and scalability. On a system consisting of 16-cores and 2 GPUs, we observe speedups of up to 5x with respect to our optimized shared-memory code, which in turn means between 7.5x and 12.5x speedup with respect to the original FLEUR code

Multivariate evaluation of the effectiveness of treatment efficacy of cypermethrin against sea lice (Lepeophtheirus salmonis) in Atlantic salmon (Salmo salar)

Background: The sea louse Lepeophtheirus salmonis is the most important ectoparasite of farmed Atlantic salmon (Salmo salar) in Norwegian aquaculture. Control of sea lice is primarily dependent on the use of delousing chemotherapeutants, which are both expensive and toxic to other wildlife. The method most commonly used for monitoring treatment effectiveness relies on measuring the percentage reduction in the mobile stages of Lepeophtheirus salmonis only. However, this does not account for changes in the other sea lice stages and may result in misleading or incomplete interpretation regarding the effectiveness of treatment. With the aim of improving the evaluation of delousing treatments, we explored multivariate analyses of bath treatments using the topical pyrethroid, cypermethrin, in salmon pens at five Norwegian production sites.Results: Conventional univariate analysis indicated reductions of over 90% in mobile stages at all sites. In contrast, multivariate analyses indicated differing treatment effectiveness between sites (p-value < 0.01) based on changes in the proportion and abundance of the chalimus and PAAM (pre-adult and adult males) stages. Low water temperatures and shortened intervals between sampling after treatment may account for the differences in the composition of chalimus and PAAM stage groups following treatment. Using multivariate analysis, such factors could be separated from those which were attributable to inadequate treatment or chemotherapeutant failure.Conclusions: Multivariate analyses for evaluation of treatment effectiveness against multiple life cycle stages of L. salmonis yield additional information beyond that derivable from univariate methods. This can aid in the identification of causes of apparent treatment failure in salmon aquaculture

Deviations from plastic barriers in Bi2_2Sr2_2CaCu2_2O8+δ_{8+\delta} thin films

Resistive transitions of an epitaxial Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ thin film were measured in various magnetic fields ($H\parallel c$), ranging from 0 to 22.0 T. Rounded curvatures of low resistivity tails are observed in Arrhenius plot and considered to relate to deviations from plastic barriers. In order to characterize these deviations, an empirical barrier form is developed, which is found to be in good agreement with experimental data and coincide with the plastic barrier form in a limited magnetic field range. Using the plastic barrier predictions and the empirical barrier form, we successfully explain the observed deviations.Comment: 5 pages, 6 figures; PRB 71, 052502 (2005