3,698 research outputs found
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 and 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-Wavelocal-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
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