Related papers: Water Boiling inside Carbon Nanotubes: Towards Eff…
Recently, X.Ma et al. [Phys. Rev. Lett. 118, 027402 (2017)] have suggested that water molecules encapsulated in (6,5) single-wall carbon nanotube experience a temperature-induced quasiphase transition around 150 K interpreted as changes in…
We use classical molecular dynamics simulations to study the collapse of single (SWNT) and double-walled (DWNT) carbon nanotube bundles under hydrostatic pressure. The collapse pressure (pc) varies as 1/R^3, where R is the SWNT radius or…
Carbon nanotubes (CNTs) are promising candidates to improve the thermal conductivity of nano-composites. The main obstacle to these applications is the extremely high thermal boundary (Kapitza) resistance between the CNTs and their matrix.…
Controlling the chirality and yield of carbon nanotubes is essential for their diverse applications from macroscopic composites to nanoelectronics. Floating-catalyst chemical vapor deposition is widely employed as a scalable synthesis…
Single particle dynamics of water confined in a nanopore is studied through Computer Molecular Dynamics. The pore is modeled to represent the average properties of a pore of Vycor glass. Dynamics is analyzed at different hydration levels…
Spontaneous decay process of an excited atom placed inside or outside (near the surface) a carbon nanotube is analyzed. Calculations have been performed for various achiral nanotubes. The effect of the nanotube surface has been demonstrated…
We predict the effect of the nuclear spin density fluctuations on NMR spectra of critical solutions of spin-carrying atoms in closed carbon nanotubes (CNTs). The total effective dipolar coupling of nuclear spin-carrying of 129^Xe atoms is…
Self-locking structures are often studied in macroscopic energy absorbers, but the concept of self-locking can also be effectively applied at the nanoscale. In particular, we can engineer self-locking mechanisms at the molecular level…
The atomistic simulations of carbon nanotube (CNT) - carbon reinforced composite material are reported. The studied composite samples were obtained by impregnating certain amounts of CNTs (3,3) and (6,6) into pristine graphite matrix. The…
An overview is presented of the various phases predicted to occur when gases are absorbed within a bundle of carbon nanotubes. The behavior may be characterized by an effective dimensionality, which depends on the species and the…
High bias electrical transport characteristics of freely suspended metallic single-walled carbon nanotubes (SWNTs) are investigated at 250-400K in vacuum and various gases. Self-heating is exploited to examine the temperature dependence of…
The transport properties of a CNT capacitively coupled to a molecule vibrating along one of its librational modes are studied and its transport properties analyzed in the presence of an STM tip. We evaluate the linear charge and thermal…
This study explores the mixed convection of carbon nanotube (CNT)-water nanofluid within a square cavity containing heated cylinders under the influence of a magnetic field, focusing on three geometric configurations: a single heated…
We present molecular dynamics simulations of the SPC/E model of water to probe the dynamic properties at temperatures from 350 K down to 190 K and pressures from 2.5GPa (25kbar) down to -300MPa (-3kbar). We compare our results with those…
Carbon nanotubes (CNTs) are currently considered a successor to silicon in future nanoelectronic devices. To realize this, controlled growth of defect-free nanotubes is required. Until now, the understanding of atomic-scale CNT growth…
Semiconducting single-wall carbon nanotubes (s-SWNTs) have proved to be promising material for nanophotonics and optoelectronics. Due to the possibility of tuning their direct band gap and controlling excitonic recombinations in the…
Recent work has suggested that nanoconfined water may exhibit superionic proton transport at lower temperatures and pressures than bulk water. Using first-principles-level simulations, we study the role of nuclear quantum effects in…
Nuclear fusion is recognized as the energy of the future, and huge efforts and capitals have been put into the research of controlled nuclear fusion in the past decades. The most challenging thing for controlled nuclear fusion is to…
The material and electrical properties of the CNT single vias and array vias grown by microwave plasma-enhanced chemical vapor deposition were investigated. The diameters of multiwall carbon nanotubes (MWNTs) grown on the bottom electrode…
Nanofluids are suspensions of nanoparticles in a base heat-transfer liquid. They have been widely investigated to boost heat transfer since they were proposed in the 1990's. We present a statistical correlation analysis of experimentally…