scholarly journals The line tension and the generalized Young equation: the choice of dividing surface

Author(s):  
A.I. Rusanov ◽  
A.K. Shchekin ◽  
D.V. Tatyanenko
2016 ◽  
Vol 6 (1) ◽  
pp. 14
Author(s):  
Long Zhou ◽  
Guang-Hua Sun ◽  
Ai-Jun Hu ◽  
Xiao-Song Wang

<p class="1Body">Based on the approaches of Gibbs’s dividing surface and Rusanov’s dividing line, the wetting behaviors of cylindrical droplets that at equilibrium are sitting inside a homogeneous and smooth regular triangular prism filled with gas in three convex corners are studied. For the three-phase system, which is composed of solid, liquid and gas phases, a generalized Young equation for cylindrical drops in a homogeneous and smooth regular triangular prism imbued with gas within three apex corners has been successfully derived including the effects of the line tension.</p>


2016 ◽  
Vol 6 (1) ◽  
pp. 96
Author(s):  
Ai-Jun Hu ◽  
Bao-Zhan Lv

<p class="1Body">Wetting of a spherical nanodroplet in smooth and homogeneous cylinder surface rotated by quadratic curve was studied by methods of thermodynamics. The solid-liquid-vapor system was separated into six parts using Gibbs method of dividing surface. The system free energy was calculated. A generalized Young equation for the equilibrium contact angle is proposed taking the line tension effects into consideration. On the basis of some assumptions, this generalized Young equation is the same as the classical Young’s equation.</p>


2016 ◽  
Vol 13 (10) ◽  
pp. 6944-6946
Author(s):  
Long Zhou ◽  
Guang-Hua Sun ◽  
Xiao-Song Wang ◽  
Ai-Jun Hu

Wetting phenomenon of a solid by a liquid is of critical importance for our daily lives and many industrial applications. In this study, we thermodynamically derive a generalized Young equation of cylindrical droplets between two homogeneous and smooth parallel cylinders including the influences of the line tension. The derivation is based on the concepts of Gibbs’s dividing surface and Rusanov’s dividing line in practice.


2016 ◽  
Vol 30 (07) ◽  
pp. 1650078
Author(s):  
Ai-Jun Hu ◽  
Bao-Zhan Lv ◽  
Xiao-Song Wang ◽  
Long Zhou

Wetting of droplets on homogeneous and spherical concave rough surfaces is investigated based on thermodynamics. In this study, neglecting the droplet gravity and the thickness of the precursor film of the liquid–vapor interface, the three-phase system is divided into six parts using Gibbs concept of dividing surface. The system Helmholtz free energy is established based on thermodynamics. Supposing the temperature and chemical potential to be constant, a new generalized Young’s equation of the equilibrium contact angle for a spherical droplet on a spherical concave rough surfaces is obtained including the line tension effects. Under certain conditions, this generalized Young’s equation is the same as the Rusanov’s equation.


Author(s):  
David M. Anderson ◽  
Tomas Landh

First discovered in surfactant-water liquid crystalline systems, so-called ‘bicontinuous cubic phases’ have the property that hydropnilic and lipophilic microdomains form interpenetrating networks conforming to cubic lattices on the scale of nanometers. Later these same structures were found in star diblock copolymers, where the simultaneous continuity of elastomeric and glassy domains gives rise to unique physical properties. Today it is well-established that the symmetry and topology of such a morphology are accurately described by one of several triply-periodic minimal surfaces, and that the interface between hydrophilic and hydrophobic, or immiscible polymer, domains is described by a triply-periodic surface of constant, nonzero mean curvature. One example of such a dividing surface is shown in figure 5.The study of these structures has become of increasing importance in the past five years for two reasons:1)Bicontinuous cubic phase liquid crystals are now being polymerized to create microporous materials with monodispersed pores and readily functionalizable porewalls; figure 3 shows a TEM from a polymerized surfactant / methylmethacrylate / water cubic phase; and2)Compelling evidence has been found that these same morphologies describe biomembrane systems in a wide range of cells.


1999 ◽  
Vol 96 (9) ◽  
pp. 1335-1339 ◽  
Author(s):  
ALAN E. VAN GIESSEN, DIRK JAN BUKMAN, B.

Author(s):  
Niels Engholm Henriksen ◽  
Flemming Yssing Hansen

This chapter discusses a direct approach to the calculation of the rate constant k(T) that bypasses the detailed state-to-state reaction cross-sections. The method is based on the calculation of the reactive flux across a dividing surface on the potential energy surface. Versions based on classical as well as quantum mechanics are described. The classical version and its relation to Wigner’s variational theorem and recrossings of the dividing surface is discussed. Neglecting recrossings, an approximate result based on the calculation of the classical one-way flux from reactants to products is considered. Recrossings can subsequently be included via a transmission coefficient. An alternative exact expression is formulated based on a canonical average of the flux time-correlation function. It concludes with the quantum mechanical definition of the flux operator and the derivation of a relation between the rate constant and a flux correlation function.


Metals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1020
Author(s):  
Xiao-Zhi Tang ◽  
Ya-Fang Guo

The interaction between a lattice dislocation and non-shearable precipitates has been well explained by the Orowan bypass mechanism. The calculated additional shear stress facilitates the evaluation of precipitation hardening in metallic alloys. The lack of information about how a twinning dislocation behaves in the same scenario hinders our understanding of the strengthening against twin-mediated plasticity in magnesium alloys. In the current study, the bowing and bypassing of a twining dislocation impeded by impenetrable obstacles are captured by atomistic simulations. The Orowan stress measurement is realized by revealing the stick-slip dynamics of a twinning dislocation. The measured Orowan stress significantly deviate from what classic theory predicts. This deviation implies that the line tension approximation may generally overestimate the Orowan stress for twinning dislocations.


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