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All-Atom Molecular Dynamics Simulations of Communication Between Nanochannel Arrays by D. Manikandan; Pramoda K. Nayak is a Materials Science article available to read on EtoBox.

What is All-Atom Molecular Dynamics Simulations of Communication Between Nanochannel Arrays about?

The stacking of nanochannels in an array is a promising method for scaling nanoscale phenomena to large-scale systems. However, the scalability of single-nanochannel transport characteristics to a large-scale system (i.e., nanochannel arrays) is limited due to interchannel communications. Here, we report the communication between nanochannels in the array using an allatom molecular dynamics (MD) simulation. In this simulation, a silicon nitride nanochannel array is integrated with the bulk reservoirs, and an electric field is applied across the reservoirs. Intriguingly, the simulations reveal a distinct pattern of communications between nanochannels and are mapped for the first time in the ohmic and nonohmic regions. In the ohmic region, individual channel current increases from the center channel to the channel near the boundary of the reservoir. Surprisingly, this pattern is reversed for the nonohmic region and the center channel shows a higher current compared to the other channels. This behavior may be attributed to the electro-osmotic instability (EOI) controlling the different length propagation of the extended space charge region into the individual channels. Further, we sho

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Author

D. Manikandan; Pramoda K. Nayak

Publisher

American Chemical Society (ACS)

Published

2023

Language

EN

Field

Materials Science (Physical Sciences)