Elektrood-03-nvt: Difference between revisions
From Intelligent Materials and Systems Lab
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3% Polymer (1 chain) % EMI-BF4 (132 ion pairs) % Carbon (57 platelets) | 3% Polymer (1 chain) % EMI-BF4 (132 ion pairs) % Carbon (57 platelets) | ||
Simulation conditions: | Simulation conditions: | ||
= Simulation conditions = | = Simulation conditions = | ||
NVT Simulation in a 40Å^3 box. | |||
No electric field applied. | No electric field applied. | ||
= Simulation statistics = | = Simulation statistics = | ||
koguenergia: | |||
[[Image:40A-57C-1T-132E-nvt2-engcns.png|320px]] | |||
Konfiguratsioonienergia: | |||
[[Image:40A-57C-1T-132E-nvt2-engcfg.png|320px]] | |||
Sidemeenergia: | |||
[[Image:40A-57C-1T-132E-nvt2-engbnd.png|320px]] | |||
Nurgaenergia: | |||
[[Image:40A-57C-1T-132E-nvt2-engang.png|320px]] | |||
Dihedraalienergia: | |||
[[Image:40A-57C-1T-132E-nvt2-engdih.png|320px]] | |||
Coulombi energia: | |||
[[Image:40A-57C-1T-132E-nvt2-engcpe.png|320px]] | |||
Temperatuur: | |||
[[Image:40A-57C-1T-132E-nvt2-temp.png|320px]] | |||
Rõhk: | |||
[[Image:40A-57C-1T-132E-nvt2-press.png|320px]] | |||
= RDF = | = RDF = | ||
Revision as of 13:25, 3 May 2009
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:
Konfiguratsioonienergia:
Sidemeenergia:
Nurgaenergia:
Dihedraalienergia:
Coulombi energia:
Temperatuur:
Rõhk:
