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7 results for “Computational geometry”

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zenodo40/100

Computational modelling of metal soap formation in historical oil paintings: the influence of fatty acid concentration and nucleus geometry on the induced chemo-mechanical damage.

<p>Metal soap formation is one of the most wide-spread degradation mechanisms observed in historical oil paintings, affecting works of art from museum collections worldwide. Metal soaps develop from a chemical reaction between metal ions present in the pigments and saturated fatty acids, which are released by the oil binder. The presence of large metal soap crystals inside paint layers or at the paint surface can be detrimental for the visual appearance of artworks. Moreover, metal soaps can possibly trigger mechanical damage, ultimately resulting in flaking of the paint. This paper departs from a recently proposed computational model to predict chemo-mechanical degradation in historical oil paintings, as presented in Eumelen et al. (J Mech Phys Solids 132:103683, 2019). The model describes metal soap formation and growth, which are phenomena that are driven by the diffusion of saturated fatty acids and proceed by a nucleation process from a crystalline nucleus of small size. This results into a chemically-induced strain in the paint, which may promote crack nucleation and propagation. The proposed model is here used to investigate the effects of saturated fatty acid concentration and initial nucleus geometry on the amount of chemo-mechanical damage generated. Numerical simulations show that both factors have a marginal influence on the growth rate of the metal soap crystal, but play a significant role on the extent of fracture induced in the paint.</p>

opencc-by-4.0Jun 2020View details →
zenodo36/100

Chanalyzer: a computational geometry approach for the analysis of protein channel shape and dynamics

<p>Dataset of molecular dynamics trajectories described in the &quot;Chanalyzer: a computational geometry approach for the analysis of protein channel shape and dynamics&quot; work.</p> <p>Trajectories of differently functionalized&nbsp;MscL channel forms.&nbsp;</p> <p>The *_xyzr.tar.gz files contain the processed frames in the xyzr format, which is a compatible input for NanoShaper</p> <p>The conf.prm file is the parameter file that has been used for the NanoShaper tool</p>

opencc-by-4.0Apr 2022View details →
zenodo36/100

Geometries for "Linear Response Properties of Solvated Systems: A Computational Study"

<p>Geometry files (.xyz format) used in the paper &quot;Linear Response Properties of Solvated Systems: A Computational Study&quot;</p>

opencc-by-4.0Oct 2022View details →
zenodo36/100

Input data of the multi-patch geometries used in: A. Farahat, H. M. Verhelst, J. Kiendl, M. Kapl, Isogeometric analysis for multi-patch structured Kirchhoff–Love shells, Computer Methods in Applied Mechanics and Engineering 411 (2023) 116060 DOI: 10.1016/j.cma.2023.116060

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opencc-by-4.0May 2023View details →
zenodo32/100

Geometry and Integral Files for the manuscript "Quantum Computation for Periodic Solids in Second Quantization"

<p>Geometry and Integral Files for the manuscript &quot;Quantum Computation for Periodic Solids in Second Quantization&quot;&nbsp;<a href="https://doi.org/10.48550/arXiv.2210.02403">https://doi.org/10.48550/arXiv.2210.02403</a></p>

opencc-by-4.0Oct 2022View details →
zenodo32/100

The input data of the multi-patch geometries used in: M. Kapl, A. Kosmač, V. Vitrih, Isogeometric collocation for solving the biharmonic equation over planar multi-patch domains, Computer Methods in Applied Mechanics and Engineering 424 (2024) 116882; DOI: 10.1016/j.cma.2024.116882

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opencc-by-4.0Apr 2024View details →
dryad32/100

Data from: Nonlandmark classification in paleobiology: computational geometry as a tool for species discrimination

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publicMar 2017View details →

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Last verified 2026-04-30Open record

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Last verified 2026-04-29Open record