Figure 6.
Color online. A (5, 5) SWNT (green) is surrounded by water molecules (blue, red). Nosé-Hoover thermostats with temperature Thot = 360 K are coupled to the nanotube tips, while water is kept at a fixed temperature Tw = 300 K. After a sufficiently long time (here 15 ns), a steady-state condition is reached. MD simulation results (in terms of both temperature profile and heat flux) are consistent with a continuous one-dimensional model as described by Equations (17) and (18). Image obtained using VEGA ZZ [47].