2021
DOI: 10.1016/j.ceramint.2021.02.162
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Characterization of mechanical properties and failure of potassium dihydrogen phosphate under mechanical stressing

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Cited by 12 publications
(9 citation statements)
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“…35 The detailed expressions and corresponding parameters of this potential function can be found in Refs. [35,36] The large-scale atomic/molecular massively parallel simulator (LAMMPS) 37 was used as a tool in conjunction with the OVITO software for result visualization. 38 A characterization method would then be developed in this investigation.…”
Section: Discussionmentioning
confidence: 99%
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“…35 The detailed expressions and corresponding parameters of this potential function can be found in Refs. [35,36] The large-scale atomic/molecular massively parallel simulator (LAMMPS) 37 was used as a tool in conjunction with the OVITO software for result visualization. 38 A characterization method would then be developed in this investigation.…”
Section: Discussionmentioning
confidence: 99%
“…It was found that the deformation of KDP under a mechanical stress is owing to the deflection of H-bonds as well as the movement of K atoms due to the rotation of PO 4 groups. 36 Because of this, the characterization method to be developed in this study will focus on the H-bonds and the K atoms surrounded by the PO 4 groups. As a result, two major criteria need to be clarified in relation to the vector angle and K-index.…”
Section: Structural Characterization Methodsmentioning
confidence: 99%
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“…Previously, little MD analysis could be done on KDP because a reliable potential function was unavailable. Recently, Yang et al reported a comprehensive interaction potential function specifically developed for KDP. This makes a reliable MD analysis of KDP deformation possible.…”
Section: Introductionmentioning
confidence: 99%
“…The aim of this paper is to reveal the anisotropic deformation mechanisms of KDP at the atomic scale using MD simulation with the aid of the potential function of Yang et al To this end, the deformation of KDP under nanoindentation on the (001) and (100) lattice orientation surfaces will be carried out comprehensively. To facilitate the structural characterization of KDP, a machine learning-based method will be developed.…”
Section: Introductionmentioning
confidence: 99%