Výsledky vyhledávání - "Klomp, Arne J."

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Crystal structure identification with 3D convolutional neural networks with application to high-pressure phase transitions in SiO$_2$

Autor: Erhard, Linus C., Utt, Daniel, Klomp, Arne J., Albe, Karsten

Efficient, reliable and easy-to-use structure recognition of atomic environments is essential for the analysis of atomic scale computer simulations. In this work, we train two neuronal network (NN) architectures, namely PointNet and dynamic graph con

Externí odkaz: http://arxiv.org/abs/2405.05156

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Mechanical Characterization of Superelastic NiTi Nanofoams by Molecular Dynamics Simulations

Autor: Klomp, Arne J., Albe, Karsten

Nanoporous metals or nanofoams are a promising material class that is considered for sensing, actuation, and catalysis. To date, they mostly based on simple noble metals such as nanoporous gold, which exhibit peculiar stress-strain response different

Externí odkaz: http://arxiv.org/abs/2207.13927

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The nature of deformation-induced dislocations in SrTiO3: Insights from atomistic simulations

Autor: Klomp, Arne J., Porz, Lukas, Albe, Karsten

The nature of mechanically induced dislocations in SrTiO3 at low temperatures has been a disputed matter for a long time. Here we provide a systematic overview of the existing knowledge on dislocations in stoichiometric SrTiO3 complemented by computa

Externí odkaz: http://arxiv.org/abs/2207.13631

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Dynamic stability of nano-scale ferroelectric domains by molecular dynamics modeling

Autor: Klomp, Arne J., Khachaturyan, Ruben, Wallis, Theophilus, Grünebohm, Anna, Albe, Karsten

Ultra-dense domain walls are increasingly important for many devices but their microscopic properties are so far not fully understood. In this study we combine atomistic and coarse-grained molecular dynamic simulations to study the domain wall stabil

Externí odkaz: http://arxiv.org/abs/2206.12243

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