Elektrood-05-nvt: Difference between revisions
From Intelligent Materials and Systems Lab
m (New page: NVT Simulatsioon 40Å boksis '''52''' lehekesest grafiidist, '''2''' jupist Teflonist (20 lüli kummaski) ja '''132''' ioonpaarist EMI+BF4: koguenergia: [[Image:40A-52C-2T-132E-nvt2-engcn...) |
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= System Description = | |||
6% Polymer (2 chain) % EMI-BF4 (132 ion pairs) % Carbon (52 platelets) | |||
Simulation conditions: | |||
= Simulation conditions = | |||
NVT Simulation in a 40Å^3 box. | |||
No electric field applied. | |||
= Simulation statistics = | |||
koguenergia: | koguenergia: | ||
| Line 20: | Line 29: | ||
Rõhk: | Rõhk: | ||
[[Image:40A-52C-2T-132E-nvt2-press.png|320px]] | [[Image:40A-52C-2T-132E-nvt2-press.png|320px]] | ||
= RDF = | |||
== Coordination sphere radii == | |||
= MSD = | |||
== Diffusion coefficent == | |||
= Coordination time evolution plots = | |||
== Coordination lifetime == | |||
= Typical clusters = | |||
== XYZ file == | |||
Revision as of 12:28, 3 May 2009
System Description
6% Polymer (2 chain) % EMI-BF4 (132 ion pairs) % Carbon (52 platelets) Simulation conditions:
Simulation conditions
NVT Simulation in a 40Å^3 box. No electric field applied.
Simulation statistics
koguenergia:
Konfiguratsioonienergia:
Sidemeenergia:
Nurgaenergia:
Dihedraalienergia:
Coulombi energia:
Temperatuur:
Rõhk:
