Journal ArticleDOI
Fracture mechanics of polycrystalline beryllium oxide nanosheets: A theoretical basis
Maryam Zarghami Dehaghani,Azam Salmankhani,Amin Hamed Mashhadzadeh,Sajjad Habibzadeh,Otman Abida,Mohammad Reza Saeb +5 more
TLDR
In this article, the effect of the number of grains (4, 9, 16, 25, and 36) and defects (typical cracks and circular notches with different lengths and dimeters) on the mechanical properties of square-shaped polycrystalline beryllium-oxide nanosheets with the length of 300 A (L) was analyzed.About:
This article is published in Engineering Fracture Mechanics.The article was published on 2021-03-01. It has received 26 citations till now. The article focuses on the topics: Fracture mechanics & Stress intensity factor.read more
Citations
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Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI
Boron Nitride Nanotube as an Antimicrobial Peptide Carrier: A Theoretical Insight.
Maryam Zarghami Dehaghani,Babak Bagheri,Farrokh Yousefi,Abbasali Nasiriasayesh,Amin Hamed Mashhadzadeh,Payam Zarrintaj,Navid Rabiee,Mojtaba Bagherzadeh,Vanessa Fierro,Alain Celzard,Mohammad Reza Saeb,Ebrahim Mostafavi +11 more
TL;DR: The increase in the potential mean force profile of the encapsulated peptide during the pulling process of cRW3 out of the nanotube showed that its insertion into the BNNT occurred spontaneously and that the inserted peptide had the desired stability.
Journal ArticleDOI
Theoretical Encapsulation of Fluorouracil (5-FU) Anti-Cancer Chemotherapy Drug into Carbon Nanotubes (CNT) and Boron Nitride Nanotubes (BNNT)
Maryam Zarghami Dehaghani,Farrokh Yousefi,S. Mohammad Sajadi,S. Mohammad Sajadi,Muhammad Tajammal Munir,Otman Abida,Sajjad Habibzadeh,Amin Hamed Mashhadzadeh,Navid Rabiee,Ebrahim Mostafavi,Mohammad Reza Saeb +10 more
TL;DR: In this article, the authors analyzed the encapsulation process of a 5-FU anti-cancer chemotherapy drug into carbon nanotubes (CNTs) and boron nitride (BNNT) and found that the van der Waals (vdW) interaction energy between the drug and the BNNT was higher than the CNT.
Journal ArticleDOI
Fracture behavior of SiGe nanosheets: Mechanics of monocrystalline vs. polycrystalline structure
Maryam Zarghami Dehaghani,Mohammad Esmaeili Safa,Farrokh Yousefi,Azam Salmankhani,Zohre Karami,Ali Dadrasi,Amin Hamed Mashhadzadeh,Florian J. Stadler,Mohammad Reza Saeb +8 more
TL;DR: In this paper, the authors explored the mechanics of monocrystalline and polycrystalline (PC) silicon-germanium nanosheets (MSiGeNS and PSiGeNs, respectively) as a function of temperature.
Journal ArticleDOI
Applying molecular dynamics simulation to take the fracture fingerprint of polycrystalline SiC nanosheets
Fatemeh Molaei,Maryam Zarghami Dehaghani,Azam Salmankhani,Sasan Fooladpanjeh,S. Mohammad Sajadi,S. Mohammad Sajadi,Mohammad Esmaeili Safa,Otman Abida,Sajjad Habibzadeh,Amin Hamed Mashhadzadeh,Mohammad Reza Saeb +10 more
TL;DR: In this article, the fracture fingerprint of polycrystalline SiC nanosheets (PSiCNSs) was analyzed using molecular dynamics simulation (MDS) and the results showed that the fracture strength of PSiCns decreased with temperature.
References
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Electric Field Effect in Atomically Thin Carbon Films
Kostya S. Novoselov,Andre K. Geim,Sergey V. Morozov,Da Jiang,Y. Zhang,S. V. Dubonos,Irina V. Grigorieva,A. A. Firsov +7 more
TL;DR: Monocrystalline graphitic films are found to be a two-dimensional semimetal with a tiny overlap between valence and conductance bands and they exhibit a strong ambipolar electric field effect.
Journal ArticleDOI
Fast parallel algorithms for short-range molecular dynamics
TL;DR: In this article, three parallel algorithms for classical molecular dynamics are presented, which can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors.
Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI
The electronic properties of graphene
TL;DR: In this paper, the basic theoretical aspects of graphene, a one-atom-thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations, are discussed.
Journal ArticleDOI
Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
TL;DR: Graphene is established as the strongest material ever measured, and atomically perfect nanoscale materials can be mechanically tested to deformations well beyond the linear regime.