Fluctuating hydrodynamics and Debye-Hückel-Onsager theory for electrolytes

A Donev, AL Garcia, JP Péraud, AJ Nonaka… - Current Opinion in …, 2019 - Elsevier
We apply fluctuating hydrodynamics to strong electrolyte mixtures to compute the
concentration corrections for chemical potential, diffusivity, and conductivity. We show these …

[BOOK][B] Stochastic dynamics in computational biology

S Winkelmann, C Schütte - 2020 - Springer
Computational biology is the science of develo** mathematical models and numerical
simulation techniques to understand biological and biochemical systems. Since the early …

[HTML][HTML] Stochastic simulation of reaction-diffusion systems: A fluctuating-hydrodynamics approach

C Kim, A Nonaka, JB Bell, AL Garcia… - The Journal of chemical …, 2017 - pubs.aip.org
We develop numerical methods for stochastic reaction-diffusion systems based on
approaches used for fluctuating hydrodynamics (FHD). For hydrodynamic systems, the FHD …

[HTML][HTML] Fluctuating hydrodynamics of multi-species reactive mixtures

AK Bhattacharjee, K Balakrishnan, AL Garcia… - The Journal of …, 2015 - pubs.aip.org
We formulate and study computationally the fluctuating compressible Navier-Stokes
equations for reactive multi-species fluid mixtures. We contrast two different expressions for …

Implementation of a ternary lattice Boltzmann model in LAMMPS

GRA Kumar, JP Andrews, UD Schiller - Computer Physics Communications, 2024 - Elsevier
The properties of multicomponent fluids are governed by the interplay of phase behavior,
fluid dynamics, and interfacial thermodynamics. A mixture formulation that leverages this …

Mach number analysis on multi-stage perforated plates in high pressure reducing valve

J Qian, M Zhang, L Lei, F Chen, L Chen, L Wei… - Energy conversion and …, 2016 - Elsevier
High pressure reducing valve (HPRV) is a key device for the pressure control of high
temperature and pressure steam in industrial processes. Perforated plate is used as the …

The NEUF-DIX space project-Non-EquilibriUm Fluctuations during DIffusion in compleX liquids

P Baaske, H Bataller, M Braibanti, M Carpineti… - The European Physical …, 2016 - Springer
Diffusion and thermal diffusion processes in a liquid mixture are accompanied by long-range
non-equilibrium fluctuations, whose amplitude is orders of magnitude larger than that of …

Particle–continuum coupling and its scaling regimes: Theory and applications

L Delle Site, M Praprotnik, JB Bell… - Advanced Theory and …, 2020 - Wiley Online Library
This work is motivated by the goal of designing simulation software for technical devices
that, at their functional core, rely on atomistic‐scale processes embedded in a larger‐scale …

[HTML][HTML] A low Mach enthalpy method to model non-isothermal gas–liquid–solid flows with melting and solidification

R Thirumalaisamy, APS Bhalla - International Journal of Multiphase Flow, 2023 - Elsevier
Modeling phase change problems numerically is vital for understanding many natural (eg,
ice formation, steam generation) and engineering processes (eg, casting, welding, additive …

Fluctuating hydrodynamics of electrolytes at electroneutral scales

A Donev, AJ Nonaka, C Kim, AL Garcia, JB Bell - Physical Review Fluids, 2019 - APS
At mesoscopic scales electrolyte solutions are modeled by the fluctuating generalized
Poisson-Nernst-Planck (PNP) equations [J.-P. Péraud, Phys. Rev. Fluids 1, 074103 (2016) …