Thermal Expansion of Single Wall Carbon Nanotubes

Jiang, Hanqing; Liu, B.; Huang, Yingsong; Hwang, Keh Chih

doi:10.1115/1.1752925

Cited by 293 publications

(177 citation statements)

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“…At 0 K, the equilibrium parameter of 0 K was used, from 300 to 500 K the equilibrium lattice parameter at 300 K was used and at temperatures between 1140 K and 1323 K, the equilibrium lattice parameter at 1323 K was used. In contrast to Cu, graphene has a small TEC [26,27]. At low temperature its in--plane lattice spacing can even slightly contract with rising temperature, despite increasing C--C bond lengths [28].…”

Section: Computational Detailsmentioning

confidence: 99%

Molecular dynamics simulation of graphene on Cu (1 0 0) and (1 1 1) surfaces

Klaver

Zhu

Sluiter

et al. 2015

Carbon

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We present results of molecular dynamics simulations of graphene on Cu surfaces. Interactions were modelled with the Charge Optimized Many Body potential, which gives a reasonable though not flawless description of the graphene--Cu system. The interaction between Cu and complete graphene sheets is characterized by an 'averaged out' interaction at a large bonding distance.Many bonding characteristics are indifferent to the details of how the Cu surface atoms are arranged, including the surface orientation and even if the surface is solid or molten. Graphene edges have a strong interaction with the Cu substrates.Systems were modelled at various temperatures, ranging from 0 K to the Cu melting temperature. At high temperature we find that the presence of graphene slightly stabilizes the Cu surface and retards surface melting. After cooling down to room temperature, the Cu substrate is 1.7% smaller than the graphene due to difference thermal expansion coefficients. This leads to the formation of wrinkles in graphene. Single wrinkles experience only small migration barriers and are quite mobile. When multiple wrinkles intersect, they form immobile knots that hinder further movement of the connected wrinkles. The elastic energy of the wrinkles and knots due to bending of the graphene is determined.© 2017 Manuscript version made available under CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/ Link to formal publication "Carbon" (Elsevier): https://doi

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Section: Computational Detailsmentioning

confidence: 99%

Molecular dynamics simulation of graphene on Cu (1 0 0) and (1 1 1) surfaces

Klaver

Zhu

Sluiter

et al. 2015

Carbon

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“…3 . It was prepared in a special dismountable cylindrical matrix for compressing nanotube powder under the effective pressure 0.5 -2 GPa.…”

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confidence: 99%

Radial thermal expansion of single-walled carbon nanotube bundles at low temperatures

Долбин

Esel'son

Gavrilko

et al. 2008

Low Temperature Physics

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Abstract.The linear coefficient of the radial thermal expansion has been measured on a system of SWNT bundles in an interval of 2.2 -120K. The measurement was performed using a dilatometer with a sensitivity of 2⋅10 -9 cm. The cylindrical sample 7 mm high and 10 mm in diameter was obtained by compressing powder. The resulting bundles of the nanotubes were oriented perpendicular to the sample axis. The starting powder contained over 90% of SWNTs with the outer diameter 1.1 nm, the length varying within 5-30 μm.Since the discovery of carbon nanotubes in 1991 [1], this novel class of physical objects has been attracting immense experimental and theoretical interest. However, a wide variety of types of carbon nanotubes and the problems encountered in preparing pure samples of these types of nanotubes makes it extremely difficult to reveal regularities in the behavior of nanotubes (e.g., see [2] and the References in it). The thermal expansion of nanotubes remains among the least studied properties of carbon nanotubes. For example, the thermal expansion of single-walled nanotubes and their bundles has never been investigated experimentally below room temperature. Meanwhile, investigations at low temperatures can provide the most valuable information about the dynamics of nanotubes. The thermal expansion coefficients (TECs) predicted theoretically [3 -8] for singlewalled nanotubes (SWNT) differ in order of magnitude and sign.In this study the radial thermal expansion of bundles of closed end SWNTs (c-SWNT) was measured in an interval of 2.2 -120 K.The sample for measuring thermal expansion was prepared using the effect of aligning the SWNT axes by pressure of 1 GPa (see [9]). Under this pressure the nanotubes within a 0.4 mm thick layer are aligned in the plane normal to the pressure vector, the average deviation from the plane of alignment being ~ 4° [9].

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“…Considering the application of these resins as adhesive, the most useful CTE concerns the temperature below T g , since adhesive would lose most of its mechanical properties at temperatures higher than T g . Since CNT shows negative CTEs values (longitudinal CTE of SWNTs has been estimated to be -12 × 10 -6 K -1 while a transverse CTE was predicted to be -1.5 ×10 -6 K -1 ) (Kwon et al, 2004;Jiang et al, 2004), the aditions of SWCNTs could lead to a lower CTE in SWNT nanocomposites. This effect will be so much remarkable when dispersion of nanoreinforcement is more effective.…”

Section: Nanoreinforced Adhesives: Potential Advantagesmentioning

confidence: 99%