Nanoscale Energy Transport and Harvesting : A Computational by Zhang Gang

By Zhang Gang

Energy shipping and conversion in nanoscale buildings is a speedily increasing quarter of technology. It appears set to make an important influence on human lifestyles and, with quite a few advertisement advancements rising, becomes an incredible educational subject over the arriving years. as a result of the trouble in experimental dimension, computational simulation has develop into a strong software within the examine of nanoscale strength shipping and harvesting.

This e-book presents an creation to the present computational expertise and discusses the functions of nanostructures in renewable power and the linked learn subject matters. will probably be necessary for theorists, experimentalists, and graduate-level scholars who are looking to discover this new box of analysis. The booklet addresses the at the moment used computational applied sciences and their functions in research of nanoscale strength delivery and conversion. With content material suitable to either educational and advertisement viewpoints, it is going to curiosity researchers and postgraduates in addition to specialists within the renewable strength industry.

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Sample text

However, Chen et al. [65] found that FD method is not always reliable in practical EMD simulations where no obvious plateau can be found in HCACF, as shown in Fig. 18c. This corresponds to the realization that the mean value of HCACF can remain positive for a relatively long time even after HCACF decays to zero (Fig. 18d). In this case, FD method determines the cut-off time according to the peak of the accumulative thermal conductivity (black arrow in Fig. 18c), while there is already quite a lot of fluctuation in HCACF long before the cut-off time.

The straight line (a,c) draws the zero-axis for reference. where σ and E denote the standard deviation and mean value of HCACF in the time interval (t, t + δ), respectively. 19a,c shows the time dependence of HCACF for the same two realizations shown in Fig. 18. HCACF exhibits the typical twostage decaying characteristics of HCACF, and decays to zero in the long-time region. As shown in Fig. , less than 1) and does not change significantly. This indicates that HCACF is still reliable as it shows no large fluctuation.

The other approach is to reverse the usual cause and effect picture. The “effect”, heat flux, is now imposed to the system, and the “cause”, temperature gradient, is obtained from simulations. 4 Schematic picture for NEMD simulation of SiNWs. The longitudinal direction is set along x-axis. The green arrows point the boundary atoms. Atoms in red and blue boxes are put in contact with the heat bath at high temperature TH and low temperature TL , respectively. particles at two ends [30] or scaling the velocity of the particles at two ends [31].

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