Efficient p-multigrid spectral element model for water waves and marine offshore structures

In marine offshore engineering, cost-efficient simulation of unsteady water waves and their nonlinear interaction with bodies are important to address a broad range of engineering applications at increasing fidelity and scale. We consider a fully nonlinear potential flow (FNPF) model discretized using a Galerkin spectral element method to serve as a basis for handling both wave propagation and wave-body interaction with high computational efficiency within a single modellingapproach. We design and propose an efficientO(n)-scalable computational procedure based on geometric p-multigrid for solving the Laplace problem in the numerical scheme. The fluid volume and the geometric features of complex bodies is represented accurately using high-order polynomial basis functions and unstructured meshes with curvilinear prism elements. The new p-multigrid spectralelement model can take advantage of the high-order polynomial basis and thereby avoid generating a hierarchy of geometric meshes with changing number of elements as required in geometric h-multigrid approaches. We provide numerical benchmarks for the algorithmic and numerical efficiency of the iterative geometric p-multigrid solver. Results of numerical experiments are presented for wave propagation and for wave-body interaction in an advanced case for focusing design waves interacting with a FPSO. Our study shows, that the use of iterative geometric p-multigrid methods for theLaplace problem can significantly improve run-time efficiency of FNPF simulators.Comment: Submitted to an international journal for peer revie

Homonuclear Ultracold Elastic \u3cem\u3es\u3c/em\u3e-wave Collisions of Alkali-Metal Atoms via Multichannel Quantum Defect Theory

Multichannel quantum-defect theory (MQDT) provides a powerful toolkit for describing and understanding collisions of cold alkali-metal atoms. Various MQDT approximations differ primarily in how they characterize the so-called short-ranged K matrix Ksr, which encapsulates the short-ranged physics into a handful of low-energy parameters that exhibit simple and smooth dependence on energy and field. Here, we compare three different methods for computing Ksr for homonuclear collisions of alkali-metal atoms, from lithium to cesium. The MQDT calculations are benchmarked against numerically converged coupled-channels calculations that use a log-derivative propagator out to the asymptotic region. We study how well these approximations reproduce positions of s-wave magnetic Feshbach resonances, comparing with experiment where possible, and identify the limitations of various approximations

Magnetic groundstate and Fermi surface of bcc Eu

Using spin-spiral technique within the full potential linearized augmented-plane-waves (LAPW) electronic structure method we investigate the magnon spectrum and N\'eel temperature of bcc Eu. Ground state corresponding to an incommensurate spin-spiral is obtained in agreement with experiment and previous calculations. We demonstrate that the magnetic coupling is primarily through the intra-atomic $f-s$ and $f-d$ exchange and Ruderman-Kittel-Kasuya-Yosida mechanism. We show that the existence of this spin-spiral is closely connected to a nesting feature of the Fermi surface which was not noticed before.Comment: 6 pages 8 figure

NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations

We present a benchmark of the density functional linear response calculation of NMR shieldings within the Gauge-Including Projector-Augmented-Wave method against all-electron Augmented-Plane-Wave$+$local-orbital and uncontracted Gaussian basis set results for NMR shieldings in molecular and solid state systems. In general, excellent agreement between the aforementioned methods is obtained. Scalar relativistic effects are shown to be quite large for nuclei in molecules in the deshielded limit. The small component makes up a substantial part of the relativistic corrections.Comment: 3 figures, supplementary material include

SPRITE and ASSAM: web servers for side chain 3D-motif searching in protein structures

Similarities in the 3D patterns of amino acid side chains can provide insights into their function despite the absence of any detectable sequence or fold similarities. Search for protein sites (SPRITE) and amino acid pattern search for substructures and motifs (ASSAM) are graph theoretical programs that can search for 3D amino side chain matches in protein structures, by representing the amino acid side chains as pseudo-atoms. The geometric relationship of the pseudo-atoms to each other as a pattern can be represented as a labeled graph where the pseudo-atoms are the graph's nodes while the edges are the inter-pseudo-atomic distances. Both programs require the input file to be in the PDB format. The objective of using SPRITE is to identify matches of side chains in a query structure to patterns with characterized function. In contrast, a 3D pattern of interest can be searched for existing occurrences in available PDB structures using ASSAM. Both programs are freely accessible without any login requirement. SPRITE is available at http://mfrlab.org/grafss/sprite/while ASSAM can be accessed at http://mfrlab.org/grafss/assam/

THE ROLE OF WALKING AND RUNNING VELOCITY ON OSTEOGENIC POTENTIAL

This study assessed the ground reaction forces (GRF) associated with walking and running at a variety of speeds and compared these kinetic values to the landing after a maximum counter-movement jump in order to understand the osteogenic potential for these activities. Twenty-four women walked and ran over a force platform at slow, medium, and fast walking and running speeds, which were assessed using Doppler radar. Landing vertical peak GRF and rate of force development (RFD) were analyzed for all movements using a force platform. In almost all cases, higher walking or running speeds resulted in statistically significant increases in GRF and RFD. Based on the findings of this study, moderate to fast sprints should be prescribed in the training programs for those who seek to maximize their bone health

Logical Dreams

We discuss the past and future of set theory, axiom systems and independence results. We deal in particular with cardinal arithmetic