Study the Unified Multiscale Hydrodynamic Model for Nanofluids from Molecular to Continuum Scales.

Abstract: We present a new conceptual framework for multiscale hydrodynamic modellingof nanofluids that seamlessly couples molecular dynamics (MD) with continuumhydrodynamics using an adaptive, information-driven coupling layer. The method treatslocally resolved MD regions as data-generating microscopes that provide dynamicallyupdated constitutive closures to a continuum solver via machinelearned,reduced-orderoperators and fluctuation-consistent stochastic stress models. We demonstrate the approachthrough synthetic data for nanoparticle-laden water and illustrate improvements in capturingnon-Newtonian effective rheology, interfacial slip, thermal transport anomalies, andBrownian stress over classical continuum models. This result explores the computationallyefficient approach and offers a clear path for uncertainty quantification and experimentalintegration.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-02-25
DOI
https://doi.org/10.5281/zenodo.18770600
Primary Topic
Nanopore and Nanochannel Transport Studies
Type
article
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article

Study the Unified Multiscale Hydrodynamic Model for Nanofluids from Molecular to Continuum Scales.

A. K. Singh
Zenodo (CERN European Organization for Nuclear Research)
Nanopore and Nanochannel Transport Studies
article

Study the Unified Multiscale Hydrodynamic Model for Nanofluids from Molecular to Continuum Scales.

A. K. Singh
article en

Abstract

Abstract: We present a new conceptual framework for multiscale hydrodynamic modellingof nanofluids that seamlessly couples molecular dynamics (MD) with continuumhydrodynamics using an adaptive, information-driven coupling layer. The method treatslocally resolved MD regions as data-generating microscopes that provide dynamicallyupdated constitutive closures to a continuum solver via machinelearned,reduced-orderoperators and fluctuation-consistent stochastic stress models. We demonstrate the approachthrough synthetic data for nanoparticle-laden water and illustrate improvements in capturingnon-Newtonian effective rheology, interfacial slip, thermal transport anomalies, andBrownian stress over classical continuum models. This result explores the computationallyefficient approach and offers a clear path for uncertainty quantification and experimentalintegration.

Zenodo (CERN European Organization for Nuclear Research)
Universitas Gadjah Mada (ID)
Life below water
Openalex Percentile: Top 45%
Nanopore and Nanochannel Transport Studies
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