Elektrood-03-nvt

From Intelligent Materials and Systems Lab

Revision as of 13:25, 3 May 2009 by Endel (talk | contribs)

System Description

3% Polymer (1 chain) % EMI-BF4 (132 ion pairs) % Carbon (57 platelets) Simulation conditions:


Simulation conditions

NVT Simulation in a 40Å^3 box. No electric field applied.

Simulation statistics

koguenergia: 40A-57C-1T-132E-nvt2-engcns.png Konfiguratsioonienergia: 40A-57C-1T-132E-nvt2-engcfg.png

Sidemeenergia: 40A-57C-1T-132E-nvt2-engbnd.png Nurgaenergia: 40A-57C-1T-132E-nvt2-engang.png

Dihedraalienergia: 40A-57C-1T-132E-nvt2-engdih.png Coulombi energia: 40A-57C-1T-132E-nvt2-engcpe.png

Temperatuur: 40A-57C-1T-132E-nvt2-temp.png Rõhk: 40A-57C-1T-132E-nvt2-press.png

RDF

Coordination sphere radii

MSD

Diffusion coefficent

Coordination time evolution plots

Coordination lifetime

Typical clusters

XYZ file

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