scholarly journals Monte Carlo Simulation of Protein Adsorption on Energetically Heterogeneous Surfaces

2014 ◽  
Vol 2014 ◽  
pp. 1-8
Author(s):  
Panu Danwanichakul
Keyword(s):  
Monte Carlo Simulation ◽  
Free Energy ◽  
Potential Model ◽  
Fixed Ratio ◽  
Spherical Particles ◽  
Heterogeneous Surfaces ◽  
Surface Energies ◽  
Favorable Area ◽  
Triangular Well Potential ◽  
Effect Of Surface

The modified triangular-well potential model was applied to incorporate the effect of surface energy on the adsorption of particles or proteins on energetically heterogeneous surfaces. The method is convenient in simulating the adsorption on heterogeneous surface of which different region possesses different free energy. Spherical particles with attractive forces were added on the surface and underwent surface diffusion before they were quenched in place. It was seen that the ratio of surface energies of two regions had to be greater than 10 in order to simulate the adsorption in which the particles were selectively adsorbed on a favorable area. At a fixed ratio of surface energies, the obtained structures were similar. If the ratio was less than 10, the probability of adsorption on any site on the surface was not much different so the adsorption would be homogeneous adsorption. The method, thus, could be applied widely to simulate the adsorption of various conditions.

Effect of Surface Free Energy on PDMS Transfer in Microcontact Printing and Its Application to ToF-SIMS to Probe Surface Energies

Langmuir ◽  
2009 ◽  
Vol 25 (10) ◽  
pp. 5674-5683 ◽  
Author(s):  
Li Yang ◽  
Naoto Shirahata ◽  
Gaurav Saini ◽  
Feng Zhang ◽  
Lei Pei ◽  
...  
Keyword(s):  
Free Energy ◽  
Surface Free Energy ◽  
Microcontact Printing ◽  
Probe Surface ◽  
Surface Energies ◽  
Tof Sims ◽  
Effect Of Surface

Extended Gibbs Free Energy and Laplace Pressure of Ordered Hexagonal Close-Packed Spherical Particles: A Wettability Study

Langmuir ◽  
2021 ◽  
Author(s):  
Amir Bayat ◽  
Mahdi Ebrahimi ◽  
Saeed Rahemi Ardekani ◽  
Esmaiel Saievar Iranizad ◽  
Alireza Zaker Moshfegh
Keyword(s):  
Free Energy ◽  
Gibbs Free Energy ◽  
Laplace Pressure ◽  
Spherical Particles ◽  
Hexagonal Close Packed

WANG–LANDAU SIMULATION ON THERMODYNAMIC AND MAGNETIC PROPERTIES OF HONEYCOMB LATTICE

2011 ◽  
Vol 25 (26) ◽  
pp. 3435-3442
Author(s):  
XIAOYAN YAO
Keyword(s):  
Magnetic Field ◽  
Monte Carlo Simulation ◽  
Magnetic Properties ◽  
Free Energy ◽  
Magnetic Susceptibility ◽  
Magnetic Property ◽  
Ground State ◽  
Antiferromagnetic Order ◽  
Honeycomb Lattice ◽  
Antiferromagnetic Ising Model

Wang–Landau algorithm of Monte Carlo simulation is performed to understand the thermodynamic and magnetic properties of antiferromagnetic Ising model on honeycomb lattice. The internal energy, specific heat, free energy and entropy are calculated to present the thermodynamic behavior. For magnetic property, the magnetization and magnetic susceptibility are discussed at different temperature upon different magnetic field. The antiferromagnetic order is confirmed to be the ground state of the system, and it can be destroyed by a large magnetic field.

On nematic surface energies

1997 ◽  
Vol 8 (3) ◽  
pp. 293-299 ◽  
Author(s):  
SANDRO FAETTI ◽  
EPIFANIO G. VIRGA
Keyword(s):  
Free Energy ◽  
Liquid Crystal ◽  
Energy Density ◽  
Continuum Theory ◽  
Free Energy Density ◽  
Optic Axis ◽  
Principal Curvatures ◽  
Equilibrium Equations ◽  
Line Integral ◽  
Surface Energies

We review the main outcomes of a continuum theory for the equilibrium of the interface between a nematic liquid crystal and an isotropic environment, in which the surface free energy density bears terms linear in the principal curvatures of the interface. Such geometric contributions to the energy occur together with more conventional elastic contribution, leading to an effective azimuthal anchoring of the optic axis, which breaks the isotropic symmetry of the interface. The theory assumes the interface to be fixed, as for a rigid cavity filled with liquid crystal, and so it does not apply to drops. It should be appropriate when the curvatures of the interface are small compared to that of the molecular interaction sphere. Also, interfaces bearing a sharp edge are encompassed within the theory; a line integral expresses the energy condensed along the edge: we see how it affects the equilibrium equations.

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