The computational study of moisture effect on mechanical behavior of baghdadite matrix via molecular dynamics approach

The computational study of moisture effect on mechanical behavior of baghdadite matrix via molecular dynamics approach

The Molecular Dynamics (MD) simulation is an appropriate method for the mechanical behavior description of atomic structures. In current computational work, we use this approach to describe the effect of the H2O molecule on the mechanical behavior of the Baghdadite matrix. For this purpose, some phy...

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Bibliographic Details
Main Authors: Weijing Bu, Roozbeh Sabetvand, Maboud Hekmatifar, S.M. Alizadeh, Ahmadreza Arefpour, Davood Toghraie, Chia-Hung Su, Hoang Chinh Nguyen, Afrasyab Khan
Format: Article
Language:English
Published: Elsevier 2021-11-01
Series:Journal of Materials Research and Technology
Subjects:
Baghdadite
Atomic matrix
Moisture effect
Mechanical behaviour
Molecular dynamics
Atomic deformation
Online Access:http://www.sciencedirect.com/science/article/pii/S223878542101098X

Internet

http://www.sciencedirect.com/science/article/pii/S223878542101098X

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