Journal ArticleDOI
Effects of confinement on freezing and melting.
Christiane Alba-Simionesco,Benoit Coasne,Gilberte Dosseh,G. Dudziak,Keith E. Gubbins,Ravi Radhakrishnan,Malgorzata Sliwinska-Bartkowiak +6 more
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Both simple and more complex adsorbates that are confined in various environments (slit or cylindrical pores and also disordered porous materials) are considered and how confinement affects the glass transition is addressed.Abstract:
We present a review of experimental, theoretical, and molecular simulation studies of confinement effects on freezing and melting We consider both simple and more complex adsorbates that are confined in various environments (slit or cylindrical pores and also disordered porous materials) The most commonly used molecular simulation, theoretical and experimental methods are first presented We also provide a brief description of the most widely used porous materials The current state of knowledge on the effects of confinement on structure and freezing temperature, and the appearance of new surface-driven and confinement-driven phases are then discussed We also address how confinement affects the glass transitionread more
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Dynamic mechanical analysis of confined glass-forming liquids
TL;DR: In this paper, the authors performed dynamic mechanical analysis for salol, toluene and ortho-terphenyl confined in mesoporous (2.5-10 nm) silica matrices.
Journal ArticleDOI
Adsorption and dynamics of argon in porous carbons
TL;DR: In this article, the pore shape and pore connectivity are found to affect significantly the properties of the confined fluid and the adsorption and dynamics of argon in ordered and disordered models of porous carbons.
Journal ArticleDOI
Selection of Diacrylate Monomers for Sub-15 nm Ultraviolet Nanoimprinting by Resonance Shear Measurement.
Shunya Ito,Motohiro Kasuya,Kenji Kawasaki,Ryuta Washiya,Yuzuru Shimazaki,Akihiro Miyauchi,Kazue Kurihara,Masaru Nakagawa +7 more
TL;DR: Considering the increase in the monomer viscosity in the nanospace and the wettability of monomers onto chemisorbed monolayers, it is concluded that the monomers showing low viscosities under confinement and high wettable onto the mold surface was suitable for single-digit nanometer UV nanoimprinting.
Journal ArticleDOI
THz dynamics of nanoconfined water by ultrafast optical spectroscopy
TL;DR: In this paper, the vibrational dynamics and structural relaxation of water nanoconfined in porous silica samples with a pore size of 4 nm at different levels of hydration and temperature were investigated.
Journal ArticleDOI
Phase Behavior of Undecane-Dodecane Mixtures Confined in SBA-15
TL;DR: The phase behavior of undecane-dodecane mixtures (n-C11H24-C12H26, C11-C 12) in bulk and confined in SBA-15 (pore diameters 3.8, 7.8 and 17.2 nm) has been studied by differential scanning calorimetry as mentioned in this paper.
References
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Helical microtubules of graphitic carbon
TL;DR: Iijima et al. as mentioned in this paper reported the preparation of a new type of finite carbon structure consisting of needle-like tubes, which were produced using an arc-discharge evaporation method similar to that used for fullerene synthesis.
Journal ArticleDOI
Inhomogeneous Electron Gas
P. C. Hohenberg,Walter Kohn +1 more
TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.
Journal ArticleDOI
Equation of state calculations by fast computing machines
TL;DR: In this article, a modified Monte Carlo integration over configuration space is used to investigate the properties of a two-dimensional rigid-sphere system with a set of interacting individual molecules, and the results are compared to free volume equations of state and a four-term virial coefficient expansion.
Book
Computer Simulation of Liquids
Michael P. Allen,D. J. Tildesley +1 more
TL;DR: In this paper, the gear predictor -corrector is used to calculate forces and torques in a non-equilibrium molecular dynamics simulation using Monte Carlo methods. But it is not suitable for the gear prediction problem.