Search results for "dynamics."
showing 10 items of 9637 documents
Designing a graphics processing unit accelerated petaflop capable lattice Boltzmann solver: Read aligned data layouts and asynchronous communication
2016
The lattice Boltzmann method is a well-established numerical approach for complex fluid flow simulations. Recently, general-purpose graphics processing units (GPUs) have become available as high-performance computing resources at large scale. We report on designing and implementing a lattice Boltzmann solver for multi-GPU systems that achieves 1.79 PFLOPS performance on 16,384 GPUs. To achieve this performance, we introduce a GPU compatible version of the so-called bundle data layout and eliminate the halo sites in order to improve data access alignment. Furthermore, we make use of the possibility to overlap data transfer between the host central processing unit and the device GPU with com…
Molecular Basis of SARS-CoV-2 Nsp1-Induced Immune Translational Shutdown as Revealed by All-Atom Simulations.
2021
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic represents the most severe global health crisis in modern human history. One of the major SARS-CoV-2 virulence factors is nonstructural protein 1 (Nsp1), which, outcompeting with the binding of host mRNA to the human ribosome, triggers a translation shutdown of the host immune system. Here, microsecond-long all-atom simulations of the C-terminal portion of the SARS-CoV-2/SARS-CoV Nsp1 in complex with the 40S ribosome disclose that SARS-CoV-2 Nsp1 has evolved from its SARS-CoV ortholog to more effectively hijack the ribosome by undergoing a critical switch of Q/E158 and E/Q159 residues that perfects Nsp1's interactions…
The ALICE experiment at the CERN LHC
2008
Journal of Instrumentation 3(08), S08002 (2008). doi:10.1088/1748-0221/3/08/S08002
Volumes of aqueous block copolymers based on poly(propylene oxides) and poly(ethylene oxides) in a large temperature range: A quantitative description
2006
The focus of this paper was on a quantitative comprehension of temperature effect on the volumes of aqueous di-block and triblock copolymers, based on propylene oxide (PO) and ethylene oxide (EO) units. To this purpose, literature data dealing with (EO316PO94 + water) and (EO13PO30EO13 + water) mixtures were analyzed. The volume vs. temperature trends were rationalized on the basis of the (unimers + aggregate) equilibrium by taking into account the temperature effect on both the partial molar volumes of the unimeric and the aggregated copolymer as well as the equilibrium constant of micellization. The analysis extended to the expansibility allowed to quantify the contribution for the shift …
Relationship between volume and energy of vector fields
2001
Abstract A unified study of energy and volume functionals is presented here by determining the critical points of a functional that extends simultaneously energy and volume and that is defined on the product of the manifold of smooth maps C∞(M,N) times the manifold M of riemannian metrics on M. The restriction of this functional to different submanifolds of the space of vector fields X (M)× M is also considered, and used to study several functionals generalizing volume and energy or total bending of vector fields
Dynamics in Interaction in Bilingual Team Teaching: Examples from a Finnish Preschool Classroom
2018
The current study aims to explore team teaching as it is manifested in bilingual interactional patterns in a preschool classroom in Finland. The data was collected in a preschool classroom where a bilingual pedagogy in Finnish (majority language) and Swedish (minority language) was implemented with monolingual Finnishspeaking children. Video recordings were made while two teachers with different predefined language roles were team teaching a class of 20 children during two circle times. A two-level analytic model was developed: on the macro level activity types, participant roles (type of leadership) and language allocation (the teachers’ relative use of Finnish and Swedish) were identified…
Mechanisms of irreversible aquaporin-10 inhibition by organogold compounds studied by combined biophysical methods and atomistic simulations
2021
Abstract The inhibition of glycerol permeation via human aquaporin-10 (hAQP10) by organometallic gold complexes has been studied by stopped-flow fluorescence spectroscopy, and its mechanism has been described using molecular modelling and atomistic simulations. The most effective hAQP10 inhibitors are cyclometalated Au(III) C^N compounds known to efficiently react with cysteine residues leading to the formation of irreversible C–S bonds. Functional assays also demonstrate the irreversibility of the binding to hAQP10 by the organometallic complexes. The obtained computational results by metadynamics show that the local arylation of Cys209 in hAQP10 by one of the gold inhibitors is mapped int…
Kinetics of phase separation in thin films: Lattice versus continuum models for solid binary mixtures
2008
A description of phase separation kinetics for solid binary (A,B) mixtures in thin film geometry based on the Kawasaki spin-exchange kinetic Ising model is presented in a discrete lattice molecular field formulation. It is shown that the model describes the interplay of wetting layer formation and lateral phase separation, which leads to a characteristic domain size $\ell(t)$ in the directions parallel to the confining walls that grows according to the Lifshitz-Slyozov $t^{1/3}$ law with time $t$ after the quench. Near the critical point of the model, the description is shown to be equivalent to the standard treatments based on Ginzburg-Landau models. Unlike the latter, the present treatmen…
Lagrangian matches between observations from aircraft, lidar and radar in a warm conveyor belt crossing orography
2021
Warm conveyor belts (WCBs) are important airstreams in extratropical cyclones, often leading to the formation of intense precipitation and the amplification of upper-level ridges. This study presents a case study that involves aircraft, lidar and radar observations in a WCB ascending from western Europe towards the Baltic Sea during the Hydrological Cycle in the Mediterranean Experiment (HyMeX) and T-NAWDEX-Falcon in October 2012, a preparatory campaign for the THORPEX North Atlantic Waveguide and Downstream Impact Experiment (TNAWDEX). Trajectories were used to link different observations along the WCB, that is, to establish so-called Lagrangian matches between observations. To this aim, a…
Strain hardening in liquid-particle suspensions
2005
The behavior of a liquid-particle suspension induced to sheared motion was analyzed by numerical simulations. When the velocity (strain) of the suspension began to increase, its viscosity first stayed almost constant, but increased then rapidly to a clearly higher level. This increase in viscosity is shown to be related to formation of clusters of suspended particles. Clusters are shown to increase the viscosity by enhanced momentum transfer though clustered particles. This is the mechanism behind the strain-hardening phenomenon observed in small-strain experiments on liquid-particle suspensions.