Articles with "multiscale simulation" as a keyword



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PyPNS: Multiscale Simulation of a Peripheral Nerve in Python

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Published in 2018 at "Neuroinformatics"

DOI: 10.1007/s12021-018-9383-z

Abstract: Bioelectronic Medicines that modulate the activity patterns on peripheral nerves have promise as a new way of treating diverse medical conditions from epilepsy to rheumatism. Progress in the field builds upon time consuming and expensive… read more here.

Keywords: multiscale simulation; model; pypns multiscale; nerve ... See more keywords
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Non-linear FE2 multiscale simulation of damage, micro and macroscopic strains in polyamide 66-woven composite structures: Analysis and experimental validation

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Published in 2021 at "Composite Structures"

DOI: 10.1016/j.compstruct.2020.112926

Abstract: Abstract This paper presents an experimental approach aimed at analyzing and validating a two-scale nonlinear Finite Element (FE2) simulation of a 3D composite structure. The studied composite material consists of polyamide thermoplastic matrix, exhibiting viscoelastic-viscoplastic… read more here.

Keywords: macroscopic; non linear; multiscale simulation; damage ... See more keywords
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Multiscale Simulation Study on the Anisotropic Behavior of Seamless Copper Tubes Processed under Varied Conditions

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Published in 2020 at "Journal of Manufacturing Processes"

DOI: 10.1016/j.jmapro.2020.04.074

Abstract: Abstract One of the most important parameters making the production of precision tubes a challenging process, is the inhomogeneity of mass flow in the pre-stage of processing leading to eccentricity, heterogeneity of residual stresses and… read more here.

Keywords: anisotropic behavior; study anisotropic; simulation study; copper ... See more keywords
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Multiscale simulation to predict microstructure dependent effective elastic properties of an injection molded polypropylene component

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Published in 2017 at "Mechanics of Materials"

DOI: 10.1016/j.mechmat.2016.10.009

Abstract: Abstract Industrial plastic parts, made of semi-crystalline polymers, are often produced by injection molding. In this process the melt undergoes a complex deformation and cooling history which results in an inhomogeneous distribution of spherulites in… read more here.

Keywords: multiscale simulation; injection; simulation predict; elastic properties ... See more keywords
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Multiscale simulation approaches to modeling drug-protein binding.

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Published in 2020 at "Current opinion in structural biology"

DOI: 10.1016/j.sbi.2020.01.014

Abstract: Simulations can provide detailed insight into the molecular processes involved in drug action, such as protein-ligand binding, and can therefore be a valuable tool for drug design and development. Processes with a large range of… read more here.

Keywords: simulation approaches; protein; approaches modeling; drug ... See more keywords
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Multiscale Simulation of Protein Hydration Using the SWINGER Dynamical Clustering Algorithm.

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Published in 2018 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.7b01129

Abstract: To perform computationally efficient concurrent multiscale simulations of biological macromolecules in solution, where the all-atom (AT) models are coupled to supramolecular coarse-grained (SCG) solvent models, previous studies resorted to modified AT water models, such as… read more here.

Keywords: protein; water; clustering algorithm; multiscale simulation ... See more keywords
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Multiscale simulation studies of geometrical effects on solution transport through nanopores

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Published in 2018 at "Molecular Simulation"

DOI: 10.1080/08927022.2017.1334881

Abstract: Abstract Due to intrinsic properties, solid-state nanopores are widely used in nanopore technology. Different geometries (cylindrical (CY), hourglass (HG) and conical (CO)) of artificial nanopores have been fabricated and studied. Each was found to promote… read more here.

Keywords: simulation studies; transport; studies geometrical; multiscale simulation ... See more keywords
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A Multiscale Simulation Approach for Germanium-Hole-Based Quantum Processor

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Published in 2022 at "IEEE Transactions on Computer-Aided Design of Integrated Circuits and Systems"

DOI: 10.1109/tcad.2022.3166107

Abstract: A multiscale simulation method is developed to model a quantum dot (QD) array of germanium (Ge) holes for quantum computing. Guided by 3-D numerical quantum device simulations of QD structures, an analytical model of the… read more here.

Keywords: quantum; multiscale simulation; germanium; quantum processor ... See more keywords
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Multiscale simulation of enhanced water flow in nanotubes

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Published in 2017 at "Mrs Bulletin"

DOI: 10.1557/mrs.2017.59

Abstract: Nanotubes (NTs) with diameters less than 2 nm have been proposed for next-generation reverse osmosis membranes. At this molecular scale, the NTs are narrow enough to block salt ions and other contaminants, but still wide… read more here.

Keywords: enhanced water; water; simulation enhanced; multiscale simulation ... See more keywords
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Multiscale Simulation of SU8 and SU8-Graphene Nanocomposite: Bridging Atomistic to Macroscale Peridynamics

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Published in 2019 at "Scientia Iranica"

DOI: 10.24200/sci.2019.50882.1918

Abstract: SU8 is commercial epoxy-Novolac resin, a negative tone photoresist with outstanding mechanical properties. Its nanocomposites have also been considered as a research material. In order to obtain insights about the SU8 nanocomposites with graphene the… read more here.

Keywords: macroscale peridynamics; multiscale simulation; graphene; scale ... See more keywords
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Multiscale Simulation of the Formation of Platinum-Particles on Alumina Nanoparticles in a Spray Flame Experiment

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Published in 2020 at "Fluids"

DOI: 10.3390/fluids5040201

Abstract: Platinum decorated alumina particles have the potential of being a highly (cost-)effective catalyst. The particles are synthesized from platinum(II) acetylacetonate dissolved in a mixture of isopropanol and acetic acid with dispersed alumina carriers. The process… read more here.

Keywords: simulation formation; formation platinum; multiscale simulation; particle ... See more keywords