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By using a newly fitted multi-parameter potential to describe the van der Waals interaction between carbon and molecular hydrogen, we study the hydrogen storage inside carbon nanotubes (CNT's) under pressure in gigapascal range. Comparing…

Materials Science · Physics 2007-07-09 X. H. Zhang , X. G. Gong , Z. F. Liu

This document accompanies fluid dyanmics video entry V83911 for APS DFD 2012 meeting. In this video, we present experiments on how drop oscillations can be "frozen" using hydrophobic powders.

Fluid Dynamics · Physics 2012-10-16 Jeremy Marston , Ying Zhu , Ivan Vakarelski , Siggi Thoroddsen

We use a free energy lattice Boltzmann approach to investigate numerically the dynamics of drops moving across superhydrophobic surfaces. The surfaces comprise a regular array of posts small compared to the drop size. For drops suspended on…

Soft Condensed Matter · Physics 2009-11-11 A. Dupuis , J. M. Yeomans

Ability to encapsulate molecules is one of the outstanding features of nanotubes. The encapsulation alters physical and chemical properties of both nanotubes and guest species. The latter normally form a separate phase, exhibiting…

Materials Science · Physics 2014-07-23 Vitaly Chaban , Oleg Prezhdo

The aversion of hydrophobic solutes for water drives diverse interactions and assemblies across materials science, biology and beyond. % Here, we review the theoretical, computational and experimental developments which underpin a…

Soft Condensed Matter · Physics 2022-10-05 Nicholas B. Rego , Amish J. Patel

The impact of nanometer sized drops on solid surfaces is studied using molecular dynamics simulations. Equilibrated floating drops consisting of short chains of Lennard-Jones liquids with adjustable volatility are directed normally onto an…

Soft Condensed Matter · Physics 2015-06-11 Joel Koplik , Rui Zhang

Water offers a large temperature domain of stable liquid, and the characteristic hydrophobic effects are first a consequence of the temperature insensitivity of equation-of-state features of the aqueous medium, compared to other liquids. On…

Biological Physics · Physics 2007-05-23 Lawrence R. Pratt , Andrew Pohorille , D. Asthagiri

Highly active, durable and cost-effective electrocatalysts for water oxidation to evolve oxygen gas hold a key to a range of renewable energy solutions including water splitting and rechargeable metal-air batteries. Here, we report the…

We briefly review recent advances in the hydrodynamic modeling of the dynamics of droplets on adaptive substrates, in particular, solids that are covered by polymer brushes. Thereby, the focus are long-wave and full-curvature variants of…

Fluid Dynamics · Physics 2024-08-05 Simon Hartmann , Jan Diekmann , Daniel Greve , Uwe Thiele

We investigate the conditions in which superconductivity may develop in ropes of carbon nanotubes. It is shown that the interaction among a large number of metallic nanotubes favors the appearance of a metallic phase in the ropes,…

Strongly Correlated Electrons · Physics 2009-11-07 J. Gonzalez

Using molecular dynamics simulations, we reveal emergent properties of hydrated electrode interfaces that while molecular in origin are integral to the behavior of the system across long times scales and large length scales. Specifically,…

Materials Science · Physics 2015-05-20 David T. Limmer , Adam P. Willard

The electronic structures of zig-zag and arm-chair single-walled carbon nanotubes interacting with a transitional-metal atomic nanowire of Ni have been determined. The Ni nanowire creates a large electron density of states (DOS)at the Fermi…

Superconductivity · Physics 2009-11-07 Nacir Tit , M. W. C. Dharma-wardana

We have theoretically investigated electromechanical properties of freely suspended carbon nanotubes when a current is injected into the tubes using a scanning tunneling microscope. We show that a shuttle-like electromechanical instability…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 L. M. Jonsson , L. Y Gorelik , R. I. Shekhter , M. Jonson

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…

Soft Condensed Matter · Physics 2007-05-23 M. Mercedes Calbi , Milton W. Cole , Silvina M. Gatica , Mary J. Bojan , George Stan

The anomalous properties of water in the supercooled state are numerous and well-known. Particularly striking are the strong changes in dynamic properties that appear to display divergences at temperatures close to -- but beyond -- the…

Statistical Mechanics · Physics 2007-05-23 Francis W. Starr , Srikanth Sastry , Francesco Sciortino , H. E. Stanley

A controlled local enhancement of superconductivity yields unexpected modifications in the vortex dynamics. This local enhancement has been achieved by designing an array of superconducting Nb nanostructures embedded in a V superconducting…

Nanoporous graphitic carbon membranes with defined chemical composition and pore architecture are novel nanomaterials that are actively pursued. Compared to easy-to-make porous carbon powders that dominate the porous carbon research and…

The energy absorption on nanometer scale is vital for many bio and chemical systems. We report here that a two times amplification in absorption efficiency can be achieved by water molecules confined in carbon nanotubes with small radius,…

Mesoscale and Nanoscale Physics · Physics 2022-07-19 Rong-Yao Yang , Wei-Zhou Jiang , Pei-Ying Huo , Qi-Lin Zhang

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

Bulk water presents a large number of crystalline and amorphous ices. Hydrophobic nanoconfinement is known to affect the tendency of water to form ice and to reduce the melting temperature. However, a systematic study of the ice phases in…

Soft Condensed Matter · Physics 2011-02-15 Oriol Vilanova , Giancarlo Franzese
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