A molecular dynamics simulation framework for predicting noise in solid-state nanopores

ABSTRACT

In this paper, we perform all-atom molecular dynamics (AA-MD) simulations to predict noise in solid-state nanopores. The simulation system consists of ∼70,000 to ∼350,000 atoms. The simulations are carried out for ∼1.3 µs over ∼6500 CPU hours in 128 processors (Intel^® E5-2670 2.6 GHz Processor). We observe low and high frequency noise in solid-state nanopores. The low frequency noise is due to the surface charge density of the nanopore. The high frequency noise is due to the thermal motion of ions and dielectric material of the solid-state nanopore. We propose a generalised noise theory to match both the low and high frequency noise. The study may help ways to study noise in solid-state nanoporous membranes using MD simulations.

KEYWORDS:

• Noise
• molecular dynamics
• nanopores

Acknowledgements

This work was supported by IITM NFIG grant #MEE/17-18/862/NFIG/NADI, IITM NFSC grant #MEE/17-18/689/NFSC/NADI and Indo-US joint center grant #USSTF/JC-042/2017. The authors would like to acknowledge VIRGO and GNR computational resources provided by Indian Institute of Technology, Madras (IITM).

Disclosure statement

No potential conflict of interest was reported by the author(s).

Correction Statement

This article has been republished with minor changes. These changes do not impact the academic content of the article.

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Funding

This work was supported by IITM New Faculty Initiative Grant [grant number MEE/17-18/862/NFIG/NADI], IITM New Faculty Seed Grant [grant number MEE/17-18/689/NFSC/NADI] and Indo-US Science and Technology Forum [grant number USSTF/JC-042/2017].