Effect of Length, Diameter, Chirality, Deformation, and Strain on Contact Thermal Conductance Between Single-Wall Carbon Nanotubes

Varshney, Vikas; Lee, Jonghoon; Brown, Joshua; Farmer, Barry L.; Voevodin, Andrey A.; Roy, Ajit K.

doi:10.3389/fmats.2018.00017

Cited by 18 publications

(14 citation statements)

References 68 publications

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“…Experimentally, (Guo et al, 2020) reported the tensile strain dependence of the thermal conductivity of monolayer graphene using optothermal Raman method. The measured results demonstrated that under a 0.12% biaxial tensile strain, the system's thermal conductivity drops approximately by 20% at 350 K, which verifies the previous theoretical literatures prediction (Varshney et al, 2018). Similar phenomenon has also been reported in polycrystalline multilayer graphene based on the microbridge measurement (Zeng et al, 2020c).…”

Section: From the Perspective Of Phonon-particle Picturesupporting

confidence: 88%

Thermal Transport in Two-Dimensional Heterostructures

2020

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Heterostructures based on two-dimensional (2D) materials have attracted intense attention in recent decades due to their unusual and tunable physics/chemical properties, which can be converted into promising engineering applications ranging from electronics, photonics, and phononics to energy recovery. A fundamental understanding of thermal transport in 2D heterostructures is crucial importance for developing micro-nano devices based on them. In this review, we summarized the recent advances of thermal transport in 2D heterostructures. Firstly, we introduced diverse theoretical approaches and experimental techniques for thermal transport in low-dimensional materials. Then we briefly reviewed the thermal properties of various 2D single-phase materials beyond graphene such as hexagonal boron nitride (h-BN), phosphorene, transition metal dichalcogenides (TMDs) and borophene, and emphatically discussed various influencing factors including structural defects, mechanical strain, and substrate interactions. Moreover, we highlighted thermal conduction control in tailored nanosystems—2D heterostructures and presented the associated underlying physical mechanisms, especially interface-modulated phonon dynamics. Finally, we outline their significant applications in advanced thermal management and thermoelectrics conversion, and discuss a number of open problems on thermal transport in 2D heterostructures.

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Section: From the Perspective Of Phonon-particle Picturesupporting

confidence: 88%

Thermal Transport in Two-Dimensional Heterostructures

2020

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“…We also have found that molecular elongation has supported more efficient self-assembly, thus has acted as a stimulating molecular feature to widen stability region. Additionally, the study of the chain-length size 10 of the chiral molecules is important for many technological devices [11][12][13] , lipid bilayer cell-membranes 14 , chiral drugs 15 , and physiological aspects 16 .…”

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confidence: 99%

Origin and structure of liquid crystalline Blue Phase III

Paul

Saha

2020

Sci Rep

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We report here an off-lattice NVT molecular dynamics simulation study of a system of polar chiral ellipsoidal molecules, which spontaneously exhibits Blue Phase III (BPIII), considering coarse-grained attractive-repulsive pair interaction appropriate for anisotropic liquid crystal mesogens. We have observed that suitable selection of chiral and dipolar strengths not only gives rise to thermodynamically stable BPIII but novel Smectic and Bilayered BPIII as well. Further, we have demonstrated that the occurrence of BPIII and its layered counterparts depend crucially on molecular elongation.

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“…The flux and selective rate of various ions in porous materials is a key issue in the desalination or purification of salt lake brine ( Mashl et al, 2003 ; Qiao et al, 2006 ; Shao et al, 2007 ). CNTs are listed as a good prototype for 1-D nanopores for various types of nanopores because they can easily represent the confinement effect of porous materials and the diameters are easy to adjust ( Wang et al, 2004 ; Varshney et al, 2018 ). The confined fluids inside the nanopore show properties that are different from those of their bulk counterparts ( Rasaiah et al, 2008 ; Mohammed and Gadikota, 2018 ; Liu et al, 2020 ), which is caused by anisotropic interactions and geometric constraints ( Gelb et al, 1999 ).…”

Section: Introductionmentioning

confidence: 99%

The hydration of Li+ and Mg2+ in subnano carbon nanotubes using a multiscale theoretical approach

Liu

Jing²,

Shao³

et al. 2023

Front. Chem.

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The separation of brines with high Mg/Li mass ratios is a huge challenge. To provide a theoretical basis for the design of separation materials, the hydration of Li+ and Mg2+ in confinement using carbon nanotubes (CNTs) as the 1-D nanopore model was investigated using a multiscale theoretical approach. According to the analysis of the first coordination layer of cations, we determined that the coordination shells of two cations exist inside CNTs, while the second coordination shells of the cations are unstable. Moreover, the results of the structure analysis indicate that the hydration layer of Li+ is not complete in CNTs with diameters of 0.73, 0.87, and 1.00 nm. However, this does not occur in the 0.60 nm CNT, which is explained by the formation of contact ion pairs (CIP) between Li+ and Cl− that go through a unstable solvent-shared ion pair [Li(H2O)4]+, and this research was further extended by 400 ns in the 0.60 nm CNT to address the aforementioned results. However, the hydration layer of Mg2+ is complete and not sensitive to the diameter of CNTs using molecular dynamics simulation and an ab initio molecular dynamics (AIMD) method. Furthermore, the results of the orientation distribution of Li+ and Mg2+ indicate that the water molecules around Mg2+ are more ordered than water molecules around Li+ in the CNTs and are more analogous to the bulk solution. We conclude that it is energetically unfavorable to confine Li+ inside the 0.60-nm diameter CNT, while it is favorable for confining Li+ inside the other four CNTs and Mg2+ in all CNTs, which is driven by the strong electrostatic interaction between cations and Cl−. In addition, the interaction between cations and water molecules in the five CNTs was also analyzed from the non-covalent interaction (NCI) perspective by AIMD.

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Effect of Length, Diameter, Chirality, Deformation, and Strain on Contact Thermal Conductance Between Single-Wall Carbon Nanotubes

Cited by 18 publications

References 68 publications

Thermal Transport in Two-Dimensional Heterostructures

Thermal Transport in Two-Dimensional Heterostructures

Origin and structure of liquid crystalline Blue Phase III

The hydration of Li+ and Mg2+ in subnano carbon nanotubes using a multiscale theoretical approach

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