Articles with "atomistic study" as a keyword



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Atomistic study of the in-plane mechanical properties and deformation behaviors of nanohoneycomb Au

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Published in 2017 at "Computational Materials Science"

DOI: 10.1016/j.commatsci.2017.05.024

Abstract: Abstract Recent experiments revealed that the mechanical properties of nanoporous materials are controlled not only by the relative density but also by the characteristic length of the interior nanostructure. In this paper, molecular dynamics simulations… read more here.

Keywords: study plane; deformation; relative density; mechanical properties ... See more keywords
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An atomistic study of damage and localized anisotropic mechanical property evolution in thermoset polymers

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Published in 2020 at "International Journal of Mechanical Sciences"

DOI: 10.1016/j.ijmecsci.2020.105507

Abstract: Abstract All-atom molecular dynamics (MD) simulations are used to explore damage initiation and the local anisotropic evolution of mechanical properties in thermoset polymers under uniaxial tension with an emphasis on changes in stiffness through a… read more here.

Keywords: evolution; thermoset polymers; damage localized; study damage ... See more keywords
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Atomistic study of the physical properties of sulfonium-based ionic liquids as electrolyte for supercapacitors

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Published in 2019 at "Journal of Molecular Liquids"

DOI: 10.1016/j.molliq.2019.112065

Abstract: Abstract Sulfonium-based ionic liquids have attracted attention because of their properties as relatively low viscosities, high conductivities and wide electrochemical window. These properties make them attractive for electrochemical applications. As far as we know, there… read more here.

Keywords: physical properties; study physical; sulfonium based; ionic liquids ... See more keywords
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Bouncing and sticking collisions of organic nanoparticles: Atomistic study

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Published in 2021 at "Astronomy and Astrophysics"

DOI: 10.1051/0004-6361/202140295

Abstract: Context. Whether nanoparticles bounce or stick during collisions determines whether particles grow or fragment, hence shaping collision-induced agglomeration processes. The collision behavior of organic matter may strongly differ from that of silica or ice grains.… read more here.

Keywords: organic nanoparticles; sticking collisions; nanoparticles atomistic; atomistic study ... See more keywords
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An atomistic study of shear-band formation during cutting of metallic glasses

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Published in 2020 at "Journal of Applied Physics"

DOI: 10.1063/1.5141336

Abstract: Using molecular dynamics simulations, we study the generation of plasticity during cutting of a CuZr metallic glass. We characterize the deformation occurring at different cutting depths and velocities. A regular pattern of parallel shear bands… read more here.

Keywords: shear band; study shear; shear bands; atomistic study ... See more keywords
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Atomistic study of two-level systems in amorphous silica

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Published in 2018 at "Physical Review B"

DOI: 10.1103/physrevb.97.014201

Abstract: Internal friction is analyzed in an atomic-scale model of amorphous silica. The potential energy landscape of more than 100 glasses is explored to identify a sample of about 700 two-level systems (TLSs). We discuss the… read more here.

Keywords: two level; level systems; study two; amorphous silica ... See more keywords