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Using Molecular Dynamics approach we investigated the structure, dynamics of water confined inside pristine and charged 6,6 carbon nanotubes (CNTs). This study reports the breakdown of 1D water wires and the emergence of triangular faced…

Soft Condensed Matter · Physics 2016-11-23 Shashank Pant

Recent studies of single-walled carbon nanotubes (CNTs) in aqueous media have showed that water can significantly affect the tube mechanical properties. CNTs under hydrostatic compression can preserve their elastic properties up to large…

Materials Science · Physics 2019-06-05 Gustavo Brunetto , Nádia F. Andrade , Douglas S. Galvão , Antônio G. Souza Filho

We have used atomistic molecular dynamics (MD) simulations to study the structure and dynamics of water molecules inside an open ended carbon nanotube placed in a bath of water molecules. The size of the nanotube allows only a single file…

Statistical Mechanics · Physics 2007-12-20 Biswaroop Mukherjee , Prabal K. Maiti , Chandan Dasgupta , A. K. Sood

Generation of ultra high frequency acoustic waves in water is key to nano resolution sensing, acoustic imaging and theranostics. In this context water immersed carbon nanotubes (CNTs) may act as an ideal optoacoustic source, due to their…

We present a multi-scale formalism that accounts for the formation of nano-scale bubbles/cavities owing to a burst of water molecules after the passage of high energy charged particles that leads to the formation of hot non-ionizing…

Single-walled carbon nanotubes (SWCNTs) in their pristine form have high thermal conductivity whose further improvement has attracted a lot of interest. Some theoretical studies have suggested that the thermal conductivity of a $(10,10)$…

Materials Science · Physics 2020-02-11 Haikuan Dong , Zheyong Fan , Ping Qian , Tapio Ala-Nissila , Yanjing Su

The effects of water wetting conditions on the transport properties of molecular nano-junctions are investigated theoretically by using a combination of classical molecular dynamics and first principles electronic transport calculations.…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 I. Rungger , X. Chen , U. Schwingenschlögl , S. Sanvito

Growth of carbon nanotubes (CNTs) was performed by atmospheric pressure chemical vapour deposition (APCVD) of propane on Si(111) with a pre-treated Ni overlayer acting as a catalyst. Prior to the growth of CNTs, a thin film of Ni was…

Materials Science · Physics 2019-06-04 J Sengupta , SK Panda , C Jacob

Macroscopic fibers of carbon nanotubes (CNT) have emerged as an ideal architecture to exploit the exceptional properties of CNT building blocks in applications ranging from energy storage to reinforcement in structural composites.…

The stability of a single-walled carbon nanotube placed on top of a catalytic nickel nanoparticle is investigated by means of molecular dynamics simulations. As a case study, we consider the $(12,0)$ nanotube consisting of 720 carbon atoms…

Chemical Physics · Physics 2016-10-07 Alexey V. Verkhovtsev , Stefan Schramm , Andrey V. Solov'yov

We study the role of surface topology, surface chemistry, and wall superheat temperature on the onset of boiling, bubble nucleation and growth, and the possible formation of an insulating vapour film by means of large-scale MD simulations.…

Soft Condensed Matter · Physics 2020-07-10 Armin Shahmardi , Outi Tammisola , Mauro Chinappi , Luca Brandt

Quantum friction describes the transfer of energy and momentum from electronically excited states in a material to a surrounding solvent. Here, we show that near-infrared (NIR) fluorescent single-walled carbon nanotubes (SWCNTs) exhibit…

Understanding heat transfer characteristics of phase change and enhancing thermal energy transport in nanoscale are of great interest in both theoretical and practical applications. In the present study, we investigated the nanoscale…

Computational Physics · Physics 2016-04-11 Li Li , Pengfei Ji , Yuwen Zhang

Heat transfer at the liquid/solid interface, especially at the nanoscale, has enormous importance in nanofluids. This study investigates liquid/solid interfacial thermal resistance and structure of the formed molecular nanolayer around a…

Soft Condensed Matter · Physics 2019-03-29 Fatemeh Jabbari , Ali Rajabpour , Seyfollah Saedodin , Somchai Wongwises

In this letter we perform an experimental study of ionic transport and current fluctuations inside individual Carbon Nanotubes (CNT). The conductance exhibits a power law behavior at low salinity, with an exponent close to 1/3 versus the…

Soft Condensed Matter · Physics 2016-04-20 E. Secchi , A. Nigues , L. Jubin , A. Siria , L. Bocquet

We experimentally demonstrate the formation of salt aggregations with unexpectedly high concentration inside multi-walled carbon nanotubes (CNTs) soaked only in dilute salt solutions and even in solutions containing only traces of salts.…

Materials Science · Physics 2018-12-26 Xueliang Wang , Guosheng Shi , Shanshan Liang , Jian Liu , Deyuan Li , Gang Fang , Renduo Liu , Long Yan , Haiping Fang

Carbon nanotube (CNT) is expected for much more important and broader applications in the future, because of its amazing electrical and mechanical properties. However, today, the prospect is detained by the fact that the growth of CNTs…

Materials Science · Physics 2007-05-23 Shuang Zhang , Takeo Hoshi , Takeo Fujiwara

We report measurements of the temperature and gate voltage dependence for individual bundles (ropes) of single-walled nanotubes. When the conductance is less than about e^2/h at room temperature, it is found to decrease as an approximate…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 David H. Cobden , Jesper Nygard , Marc Bockrath , Paul L. McEuen

A detailed understanding of energy transduction is crucial for achieving precise control of energy flow in complex, integrated systems. In this context, carbon nanotubes (CNTs) are intriguing model systems due to their rich,…

Mesoscale and Nanoscale Physics · Physics 2011-02-16 Eyal Shafran , Benjamin D. Mangum , Jordan M. Gerton

We demonstrate a new method to deposit carbon nanotubes (CNT) on optical fibers based on a syringe-loaded CNT solution axially aligned to the fiber tip. A laser generates an optical tweezer in a water-based CNT solution, depositing…

Optics · Physics 2025-12-10 Ricardo E. da Silva , Cristiano M. B. Cordeiro