Editorial

Luis, Núria Cinca i

doi:10.1080/02670844.2020.1812822

Surface Engineering

2020

DOI: 10.1080/02670844.2020.1812822

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Editorial

Núria Cinca i Luis

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First Principle Calculation and Data Analysis of Anisotropy in Elastic Properties of Cubic Carbides TiC, VC and NbC

Tang

Guo

et al. 2022

Advances in Manufacturing Processes, Intelligent Methods and Systems in Production Engineering

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In this work first principle calculation is applied to establish systematic ground state elastic property data of three typical cubic binary monocarbides (TiC, VC and NbC). The bulk modulus, Young's modulus, shear modulus, and Poisson ' s ratio are determined from the Voigt-Reuss-Hill approximation method and compared with other published data. The micro Vickers hardness is also predicted, the hardness data is compared to published data. The anisotropy in elastic properties of the carbides is studied through calculating the universal elastic anisotropic index; percent anisotropy in compressibility and shear as well as the shear anisotropic factors on the specific crystal planes. A python program is developed to integrate first principle calculation in Materials Studio data and establish the directional anisotropy in elastic properties in 3D space and projection on key crystal planes. 3D constructions and plane projection of the elastic properties based on the maximum, minimum and averaged values approaches is used to present and compare the anisotropy feature of the carbides. The data for E, G and Poisson ' s ratio is comparatively analysed and discussed, and future direction in developing systematic data through physical modelling is discussed.

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First Principle Calculation and Data Analysis of Anisotropy in Elastic Properties of Cubic Carbides TiC, VC and NbC

Tang

Guo

et al. 2022

Advances in Manufacturing Processes, Intelligent Methods and Systems in Production Engineering

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

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First Principle Calculation and Data Analysis of Anisotropy in Elastic Properties of Cubic Carbides TiC, VC and NbC

First Principle Calculation and Data Analysis of Anisotropy in Elastic Properties of Cubic Carbides TiC, VC and NbC

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