Tensile characteristics of boron nanotubes by using reactive molecular dynamics simulations

Caliskan, Erdem; Kırca, Mesut

doi:10.1016/j.commatsci.2022.111368

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Applications To Architecture and Construction Engineering1

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2022

2024

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Cited by 4 publications

(2 citation statements)

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“…The fullerene-type shell structures can be treated in terms of a very simple particlebased model such as the Elastic Network Model (ENM), where the nodes of the structure are represented by particles that interact through elastic forces [65,66] along the grid edges (see Figure 13). ENM was developed as a simulation tool for the study of protein flexibility by coarse-graining the vibrational normal modes.…”

Section: Applications To Architecture and Construction Engineeringmentioning

confidence: 99%

Dynamic Modeling and Simulation for Control Systems

2023

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Section: Applications To Architecture and Construction Engineeringmentioning

confidence: 99%

Dynamic Modeling and Simulation for Control Systems

2023

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“…Thus, BNTs are found to be metallic, and this property is independent of the diameter and chirality (armchair or zigzag) of the nanotube [21]. Moreover, there have been a lot of morphologies of BNTs in contrast to only one morphology of carbon nanotubes (CNTs) [22]. A more detailed description of the structure and properties of 1D-boron structures can be found in Refs.…”

Section: Introductionmentioning

confidence: 99%

Boron Nanotube Structure Explored by Evolutionary Computations

Tarkowski

Szwacki

2022

Crystals

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In this work, we explore the structure of single-wall boron nanotubes with large diameters (about 21 Å) and a broad range of surface densities of atoms. The computations are done using an evolutionary approach combined with a nearest-neighbors model Hamiltonian. For the most stable nanotubes, the number of 5-coordinated boron atoms is about 63% of the total number of atoms forming the nanotubes, whereas about 11% are boron vacancies. For hole densities smaller than about 0.22, the boron nanotubes exhibit randomly distributed hexagonal holes and are more stable than a flat stripe structure and a quasi-flat B36 cluster. For larger hole densities (>0.22), the boron nanotubes resemble porous tubular structures with hole sizes that depend on the surface densities of boron atoms.

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