A brute-force code searching for cell of non-identical displacement for CSL grain boundaries and interfaces

Xie, Yaoshu; Shibata, Kiyou; Miozguchi, Teruyasu

doi:10.1016/j.cpc.2021.108260

Cited by 5 publications

(3 citation statements)

References 48 publications

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“…We simulated 170 symmetric tilt GBs with tilt axes of [100], [110], and [111], and 28 twist GBs with [100] rotation axis for FCC Cu and BCC Mo. For the £-surface method, we constrained our sampling of RBT in the Cell of Non-Identical Displacement (CNID), 17) which is the minimum two-dimensional cell including all the non-identical RBT operations. Finally, we confirmed the reproducibility of the NCT to reproduce identical stable GB structures explored by the £surface method.…”

Section: Methodsmentioning

confidence: 99%

A guideline for searching for stable grain boundary structure by utilizing crystallographic information: A method based on non-identical termination

Hata,

Xie,

Shibata

et al. 2023

J. Ceram. Soc. Japan

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Determining the stable atomic structure of grain boundaries (GBs) is one of the most important tasks for computational materials science to comprehensively understand the structure-property relationship of GBs in real polycrystalline materials. In this paper, we revisit a proposed method (PM) that was thought to be ineffective in determining the stable GB structures based on sampling non-identical terminating crystal planes of the two adjoining crystals forming the GB. In contrast to the previous conclusion, we found that the PM is effective regarding both the reproducibility of stable structures and calculation cost. This method could determine the most stable GB structures and energies of not only elemental materials of face-centered-cubic and bodycentered-cubic metals, including Cu and Mo, but also a binary ceramic material, MgO. We show that the PM can greatly reduce the number of necessary candidate structures calculated to determine the stable GB structures compared with other brute-force methods sampling the rigid body translation between the two adjoining crystals. We demonstrated that sampling GB structures made of non-identical termination combinations is a useful and effective method to determine the stable GB structures of various materials.

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Section: Methodsmentioning

confidence: 99%

A guideline for searching for stable grain boundary structure by utilizing crystallographic information: A method based on non-identical termination

Hata,

Xie,

Shibata

et al. 2023

J. Ceram. Soc. Japan

Self Cite

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show abstract

“…Code search is an important technique to improve effectiveness and efficiency of software development [1][2][3]. Code search is firstly conducted by matching keyword text in a code base, then researchers enrich the matching model with some descriptions about candidate code snippets, i.e., code annotation [4,5].…”

Section: Introductionmentioning

confidence: 99%

“…Although a lot of code search techniques are proposed in recent years, there are still some problems in this area [6,7]: (1) The existing code search technology is not comprehensive in the representation of code, most of them only pay attention to the information of the code itself and ignore the code annotation information; (2) In terms of code annotation information, the existing search technology simply regards all annotation information as equally weighted information, ignoring the specificity of code annotation; (3) The search content of the existing code search technology is simple, and there is no better strategy in the face of more complex search conditions [8,9].…”

Section: Introductionmentioning

confidence: 99%

Boosting Code Search with Structural Code Annotation

Kong

Chen

et al. 2022

Electronics

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Code search is a process that takes a given query as input and retrieves relevant code snippets from a code base. The relationship between query and code is commonly built on code annotation, which is extracted from code comments or other documents. The current code search studies approximately treat code annotation as a common natural language, regardless of its hidden structural information. To address the information loss, this work proposes a code annotation model to extract features from five perspectives, and further conduct a code search engine, i.e., CodeHunter. CodeHunter is evaluated on a dataset of 7 million code snippets and query descriptions. The experimental results show that CodeHunter obtains more effective results than Lucene and DeepCS. And we also prove that the effectiveness comes from the rich features and search models, CodeHunter can work well with different sizes of query descriptions.

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Dynamic behavior of grain boundaries with misorientations in the vicinity of Σ3 coherent and incoherent twin boundaries in Al bicrystals

Brandenburg,

Barrales-Mora,

Tsurekawa

et al. 2023

Acta Materialia

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A brute-force code searching for cell of non-identical displacement for CSL grain boundaries and interfaces

Cited by 5 publications

References 48 publications

A guideline for searching for stable grain boundary structure by utilizing crystallographic information: A method based on non-identical termination

A guideline for searching for stable grain boundary structure by utilizing crystallographic information: A method based on non-identical termination

Boosting Code Search with Structural Code Annotation

Dynamic behavior of grain boundaries with misorientations in the vicinity of Σ3 coherent and incoherent twin boundaries in Al bicrystals

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