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PreprintCC BY 4.0HAL

Broadband molecular dynamics simulation of confined Brownian motion

  • Quentin Thomas
  • Clara Mefo Sop
  • Maxime Lavaud
  • Yacine Amarouchene
  • Thomas Salez
  • Pascal Damman
Open at sourcePDFCite

Abstract

Molecular dynamics with an explicit solvent resolves the hydrodynamic response of a Brownian colloid in bulk and near a rigid wall over acoustic, inertial, and diffusive time scales. Bulk spectra establish a continuum reference and reveal departures associated with discrete-solvent dynamics. Under confinement, thermal spectra provide a measurement of the space-dependent added mass, while velocity autocorrelations determine space-dependent, anisotropic hydrodynamic memory and diffusion. All together, these measurements connect the enhanced added mass and reduced mobility near a wall, and probe the discrete-continuum crossover.

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Cite

BibTeXRIS
BibTeX
@misc{thomas2026broadband,
  title = {{Broadband molecular dynamics simulation of confined Brownian motion}},
  author = {Quentin Thomas and Clara Mefo Sop and Maxime Lavaud and Yacine Amarouchene and Thomas Salez and Pascal Damman},
  howpublished = {HAL},
  year = {2026},
  month = nov,
  url = {https://hal.science/hal-05667527v2},
  note = {CC BY 4.0},
}
RIS
TY  - UNPB
TI  - Broadband molecular dynamics simulation of confined Brownian motion
AU  - Quentin Thomas
AU  - Clara Mefo Sop
AU  - Maxime Lavaud
AU  - Yacine Amarouchene
AU  - Thomas Salez
AU  - Pascal Damman
PY  - 2026
DA  - 2026/11/06
PB  - HAL
UR  - https://hal.science/hal-05667527v2
AB  - Molecular dynamics with an explicit solvent resolves the hydrodynamic response of a Brownian colloid in bulk and near a rigid wall over acoustic, inertial, and diffusive time scales. Bulk spectra establish a continuum reference and reveal departures associated with discrete-solvent dynamics. Under confinement, thermal spectra provide a measurement of the space-dependent added mass, while velocity autocorrelations determine space-dependent, anisotropic hydrodynamic memory and diffusion. All together, these measurements connect the enhanced added mass and reduced mobility near a wall, and probe the discrete-continuum crossover.
ER  -