Ising Cellular Automata for Proton Diffusion on Protein Surfaces

1998 ◽  
Vol 09 (05) ◽  
pp. 675-683 ◽  
Author(s):  
G. Careri ◽  
D. Stauffer
Keyword(s):  
Phase Transition ◽  
Cellular Automata ◽  
Lattice Gas ◽  
Globular Proteins ◽  
Hydrogen Ions ◽  
Kawasaki Dynamics ◽  
Protein Surfaces ◽  
Ising Ferromagnet ◽  
Proton Diffusion ◽  
Diffusion Of Hydrogen

Q2R cellular automata are combined with Kawasaki dynamics to give an Ising ferromagnet with conserved magnetization and conserved energy. In its lattice gas interpretation, it may serve to describe the diffusion of hydrogen ions on the surface of globular proteins. Our computer simulations test to what extent the phase transition at the Curie point is still visible in small 10×10 lattices and t~104.

Equation of State and Phase Transition of the Spherical Lattice Gas

1960 ◽  
Vol 120 (1) ◽  
pp. 22-32 ◽  
Author(s):  
Walter Pressman ◽  
Joseph B. Keller
Keyword(s):  
Phase Transition ◽  
Equation Of State ◽  
Lattice Gas

MODEL FOR OXYGEN ABSORPTION AND STRUCTURAL PHASE TRANSITION IN YBa2Cu3O7−y

1988 ◽  
Vol 02 (08) ◽  
pp. 1017-1023
Author(s):  
C. VAREA ◽  
A. ROBLEDO
Keyword(s):  
Phase Transition ◽  
Free Energy ◽  
Elastic Energy ◽  
Structural Transition ◽  
Lattice Gas ◽  
Structural Phase ◽  
External Source ◽  
Oxygen Absorption ◽  
Low Oxygen ◽  
Oxygen Oxygen

We reproduce, quantitatively, the observed dependence with temperature and O 2 partial pressure of the ordering of oxygen and the concommitant structural transition in YBa 2 Cu 3 O 7−y by means of a layered oxygen lattice gas model in equilibrium with an external source of O 2. The free energy considers, in addition to Cu -mediated oxygen-oxygen interactions, the elastic energy of the crystal. Depending on the coupling between these two terms the transition may turn into 1st order and further ordering along the Cu-O chains may appear for low oxygen content.

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