Computational Aspects of Carbon and Boron Nanotubes

Manuel, Paul

doi:10.3390/molecules15128709

Cited by 31 publications

(15 citation statements)

References 30 publications

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“…Considering the underlying graphs of boron nanotubes, Manual studied their certain computational properties. Liu et al studied various topological properties of these nanotubes.…”

Section: Energy and Estrada Index Of Boron Triangular Nanotubesmentioning

confidence: 99%

Correlation between the Estrada index and π‐electronic energies for benzenoid hydrocarbons with applications to boron nanotubes

Hayat

Imran

Liu

2019

Int J of Quantum Chemistry

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In this article, we present an efficient computer-based computational technique to compute the energy and Estrada index of graphs. It is shown that our computational method is more efficient and bears less computational and algorithmic complexity. We use our method to show the main result of this article, which asserts that the Estrada index correlates with the π-electronic energies of lower benzenoid hydrocarbons with correlation coefficient 0.9993. This enhances the practical applicability of the Estrada index and warrants its further usage in quantitative structure activity relationships. We further apply our computational technique in computing the energy and Estrada index of two infinite families of boron triangular nanotubes. We perform simulation based on certain computer software packages to study the graph-theoretic behavior of the obtained results. Our results help to correlate certain physicochemical properties of underlying chemical structures of these nanotubes. K E Y W O R D Sπ-electronic energy, benzenoid hydrocarbons, boron nanotubes, energy, Estrada index

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“…Considering the underlying graphs of boron nanotubes, Manual studied their certain computational properties. Liu et al studied various topological properties of these nanotubes.…”

Section: Energy and Estrada Index Of Boron Triangular Nanotubesmentioning

confidence: 99%

Correlation between the Estrada index and π‐electronic energies for benzenoid hydrocarbons with applications to boron nanotubes

Hayat

Imran

Liu

2019

Int J of Quantum Chemistry

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“…e comparison study about some computational aspects of boron triangular and boron-α nanotubes has been investigated in [35]. e 3D perceptions of boron triangular and boron-α nanotube are presented in Figure 1.…”

Section: Boron Nanotubesmentioning

confidence: 99%

Topological Aspects of Boron Nanotubes

Liu

Shaker

Nadeem

et al. 2018

Advances in Materials Science and Engineering

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The degree-based topological indices are used to correlate the physical and chemical properties of a molecule with its chemical structure. Boron nanotubular structures are high-interest materials due to the presence of multicenter bonds and have novel electronic properties. These materials have some important issues in nanodevice applications like mechanical and thermal stability. Therefore, they require theoretical studies on the other properties. In this paper, we present certain degree-based topological indices such as ABC, the fourth ABC, GA, and the fifth GA indices for boron triangular and boron-α nanotubes.

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“…Similarly, natural systems are out of this review scope. This is the case of computational chemistry [17,18], biology [19,20], and metabolic networks [21,22].Automatic optimisation and control in an engineering system is associated with a near real-time data acquisition and an optimal decision-making. The aim is to maximise the quality and performance of the outcome while minimising the overall costs of the process.…”

mentioning

confidence: 99%

“…Similarly, natural systems are out of this review scope. This is the case of computational chemistry [17,18], biology [19,20], and metabolic networks [21,22].…”

mentioning

confidence: 99%

Multi-Agent Systems and Complex Networks: Review and Applications in Systems Engineering

et al. 2020

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Systems engineering is an ubiquitous discipline of Engineering overlapping industrial, chemical, mechanical, manufacturing, control, software, electrical, and civil engineering. It provides tools for dealing with the complexity and dynamics related to the optimisation of physical, natural, and virtual systems management. This paper presents a review of how multi-agent systems and complex networks theory are brought together to address systems engineering and management problems. The review also encompasses current and future research directions both for theoretical fundamentals and applications in the industry. This is made by considering trends such as mesoscale, multiscale, and multilayer networks along with the state-of-art analysis on network dynamics and intelligent networks. Critical and smart infrastructure, manufacturing processes, and supply chain networks are instances of research topics for which this literature review is highly relevant.Processes 2020, 8, 312 2 of 29 in a telecommunication system network, nodes (e.g., routers and switches) may suffer over time a degradation in their properties that may lead them to diminish their performance. However, just the daily variation on traffic demand also has an impact on such nodes performance. Unexpected, external intervention such as cyber-attacks or extreme weather conditions may affect the properties, even the topology of a telecommunication system.Intelligent distributed systems are capable of modelling how different parts of the network might work individually and collectively [10]. Ultimately, this is used as support for any decision-making system aiming to achieve better overall system functioning and its consequent performance. Intelligent distributed systems encompass autonomous learning units that can be associated with the nodes of a complex network. These intelligent network nodes are able to act independently and also interact with other nodes to pursue both individual (local) and general system-level targets. The necessary communication between individuals can be represented by links of the complex network connecting their nodes. It is natural to understand such nodes as intelligent agents within a MAS framework. Each agent separately obeying simple rules but working together with other agents makes it possible to approach complex engineering challenges. Intelligent distributed systems have been proposed in a broad range of engineered complex systems [11,12]. Precisely, the review proposed herein focuses only on engineered systems and manufacturing processes, given the wide spectrum of the approached topic. Out of this review fall, then, topics related to social systems analysis such as migration models [13,14] or online social media [15,16]. Similarly, natural systems are out of this review scope. This is the case of computational chemistry [17,18], biology [19,20], and metabolic networks [21,22].Automatic optimisation and control in an engineering system is associated with a near real-time data acquisition and an optimal decision-making. Th...

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Computational Aspects of Carbon and Boron Nanotubes

Cited by 31 publications

References 30 publications

Correlation between the Estrada index and π‐electronic energies for benzenoid hydrocarbons with applications to boron nanotubes

Correlation between the Estrada index and π‐electronic energies for benzenoid hydrocarbons with applications to boron nanotubes

Topological Aspects of Boron Nanotubes

Multi-Agent Systems and Complex Networks: Review and Applications in Systems Engineering

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