dislocation extraction algorithm (dxa) tool (OVITO GmbH)
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Dislocation Extraction Algorithm (Dxa) Tool, supplied by OVITO GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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other:Article Title: Molecular dynamics study of tensile behaviour for cold and linear friction welded single crystal tungsten. Article Snippet: In the present paper, single crystal tungsten model has been established by using molecular dynamics simulation.. The joining of two single-crystal tungsten has been shown using two different welding techniques namely Cold welding and Linear Friction Welding (LFW) at room temperature.. The tungsten atom interactions have been developed using the Embedded Atom Method potential. Article Title: Atomistic simulation study of the grain-size effect on hydrogen embrittlement of nanograined Fe Article Snippet: Although hydrogen-induced fracture at grain boundaries has been widely studied and several mechanisms have been proposed, few studies of nanograined materials have been conducted, especially for grain sizes below the critical size for the inverse Hall-Petch relation.. In this research work, molecular dynamics (MD) simulations are performed to investigate the hydrogen segregation and hydrogen embrittlement mechanism in polycrystalline Fe models.. When the same concentration of H atoms is added, the H segregation ratio in the model with the smallest grain size is the highest observed herein, showing the high hydrogen trapping ability of small-grain Fe, while the H concentration at the grain boundaries (GBs) is, on the contrary, the lowest. Article Title: Impact of interstitial impurities on the trapping of dislocation loops in tungsten Article Snippet: The |
![Charge density maps for the three <t>dislocation</t> loops considered in this study. The green line shows the position of dislocation line of the dislocation loop identified using OVITO with <t>DXA</t> method. The orange isosurfaces correspond to a charge density equal to 9.03 × 10 –6 e/Å 3 . The red points reveal the different initial positions for the impurity. The red square highlights the zone (perpendicular to the graph’s plane) used for an in-depth analysis in the results section, while the red arrow shows the corresponding viewing direction. The images are created with OVITO [‘ https://www.ovito.org/ ’ version 3.0.0-dev] .](https://pub-med-central-images-cdn.bioz.com/pub_med_central_ids_ending_with_2948/pmc08192948/pmc08192948__41598_2021_91390_Fig1_HTML.jpg)