Thermoelectric Properties of Fe0.2Co3.8Sb12-xTex ... - Physics
Thermoelectric Properties of Fe0.2Co3.8Sb12-xTex ... - Physics
Thermoelectric Properties of Fe0.2Co3.8Sb12-xTex ... - Physics
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Flow Induced Alignment <strong>of</strong> water molecules confined inside carbon nanotube: Insight<br />
from MD Simulations<br />
Hemant Kumar, 1, ∗ Prabal K. Maiti, 1, † Chandan Dasgupta, 1, ‡ and A. K. Sood 2, §<br />
1 Centre for Condensed Matter Theory, Indian Institute <strong>of</strong> Science, Bangalore, India-560012<br />
2 Department <strong>of</strong> <strong>Physics</strong>, Indian Institute <strong>of</strong> Science,Bangalore, India-560012<br />
Molecular dynamics study for the flow induced structural change <strong>of</strong> water molecules flowing<br />
through carbon nanotubes (CNT) has been presented. We show that dipole moment <strong>of</strong> the confined<br />
water molecules gets aligned along the axis <strong>of</strong> nanotube under the effect <strong>of</strong> flow. With increasing<br />
flow velocities, net dipole moment first increases and eventually saturates to a constant value. This<br />
observation is very similar to Langevin theory <strong>of</strong> paramagnet where flow velocity acts as an effective<br />
aligning field. Preferential entry <strong>of</strong> entering water molecules with dipole pointing inward has been<br />
shown to be responsible for this effect. This observation provides a way to control the dipolar<br />
alignment <strong>of</strong> water inside nano-channel which can be used for various nano-electrical devices and<br />
supports the study by K.Sathya Naryanan and A.K. Sood.<br />
∗<br />
hemant@physics.iisc.ernet.in<br />
† maiti@physics.iisc.ernet.in<br />
‡ cdgupta@physics.iisc.ernet.in<br />
§ sood@physics.iisc.ernet.in
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