Work of Adhesion Analysis for Metal-Substituted W<sub>4</sub>C<sub>4</sub> Carbides in a Cobalt Matrix

Aghdasi, P.; Li, D. Y.

doi:10.1021/acs.langmuir.3c02194

Langmuir

2023

DOI: 10.1021/acs.langmuir.3c02194

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Work of Adhesion Analysis for Metal-Substituted W₄C₄ Carbides in a Cobalt Matrix

P. Aghdasi,

D. Y. Li

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Cited by 10 publications

References 54 publications

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Studying quantum effects of fine scaling on the buckling behavior of CNTs under torsional loading using the density functional theory and molecular mechanics approach

Mirnezhad,

Ansari,

Falahatgar

et al. 2024

Surface & Interface Analysis

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In this study, we introduce a comprehensive investigation into the buckling behavior of carbon nanotubes (CNTs) using a combined approach of quantum mechanics and molecular mechanics methods. A novel aspect of our research lies in the exploration of the quantum effects of fine scaling on the buckling behavior of finite‐length nanotubes across various dimensions and chiralities. Specifically, we analyze the critical buckling strain variations in CNTs with distinct lengths, diameters, and chiralities, revealing pronounced differences influenced by atomic arrangement and the type of structure used in nanotube construction. Our findings elucidate that at smaller dimensions, nanotubes exhibit a higher critical buckling strain than other chiralities, while zigzag atomic arrangements demonstrate greater resistance to torsional loading at larger diameters. Additionally, we compare the buckling behavior of nanotubes obtained by wrapping armchair and zigzag nanosheets, highlighting differential resistance trends. This research not only underscores the critical role of quantum effects in determining nanotube buckling but also provides valuable insights into the nuanced influences of atomic arrangement and nanosheet type on the mechanical properties of CNTs. Thus, our work contributes a novel perspective to the field, bridging the gap between quantum mechanics and the mechanical behavior of nanostructures, which has significant implications for the design and application of nanoscale materials

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Studying quantum effects of fine scaling on the buckling behavior of CNTs under torsional loading using the density functional theory and molecular mechanics approach

Mirnezhad,

Ansari,

Falahatgar

et al. 2024

Surface & Interface Analysis

View full text Add to dashboard Cite

show abstract

A comprehensive study of mechanical properties in armchair phosphorene nanotubes using DFT-based finite element analysis

Ansari,

Aghdasi,

Shahnazari

2024

Appl. Phys. A

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From first principles to finite elements: unraveling the mechanical behavior of zigzag phosphorene nanosheets

Aghdasi,

Shahnazari,

Ansari

2024

Appl. Phys. A

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Work of Adhesion Analysis for Metal-Substituted W₄C₄ Carbides in a Cobalt Matrix

Cited by 10 publications

References 54 publications

Studying quantum effects of fine scaling on the buckling behavior of CNTs under torsional loading using the density functional theory and molecular mechanics approach

Studying quantum effects of fine scaling on the buckling behavior of CNTs under torsional loading using the density functional theory and molecular mechanics approach

A comprehensive study of mechanical properties in armchair phosphorene nanotubes using DFT-based finite element analysis

From first principles to finite elements: unraveling the mechanical behavior of zigzag phosphorene nanosheets

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Work of Adhesion Analysis for Metal-Substituted W4C4 Carbides in a Cobalt Matrix

Cited by 10 publications

References 54 publications

Studying quantum effects of fine scaling on the buckling behavior of CNTs under torsional loading using the density functional theory and molecular mechanics approach

Studying quantum effects of fine scaling on the buckling behavior of CNTs under torsional loading using the density functional theory and molecular mechanics approach

A comprehensive study of mechanical properties in armchair phosphorene nanotubes using DFT-based finite element analysis

From first principles to finite elements: unraveling the mechanical behavior of zigzag phosphorene nanosheets

Contact Info

Product

Resources

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Work of Adhesion Analysis for Metal-Substituted W₄C₄ Carbides in a Cobalt Matrix