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MuMSS: Multiscale Modeling and Stochastic Systems


At macroscopic scales, fluid dynamics is governed by partial differential equations that characterize the behavior of the fluid in terms of smoothly evolving fields that represent density, momentum, and other characteristics of the fluid. However, at atomic scales fluids are discrete systems composed of individual molecules whose dynamics are governed by complex interaction potentials. The discrepancy between these two descriptions is manifest at the mesoscale. While it is possible to model a fluid using macroscopic field variables at the mesoscale, we know that they are no longer smooth fields; instead they fluctuate even for systems that are at thermodynamic equilibrium. The goal of the MuMSS team is to develop models and algorithms that can efficiently and accurately model complex fluids at the mesoscale



CCSE Members

Oscar Antepara

John Bell

Katie Klymko

Daniel Ladiges

Andy Nonaka

Affiliates

Aleksandar Donev (NYU)

Alejandro Garcia (SJSU)

Changho Kim (UC Merced)


Core Numerical Methodologies

     Low Mach and Compressible Fluctuating Hydrodynamics Solvers
     Immersed Boundaries
     Direct Simulation Monte Carlo

We use our algorithms and codes to study the following applications:

Complex Fluids

     Room Temperature Ionic Liquids
     Electrolytes
     Stochastic Chemistry
     Low Mach Number Multispecies Mixtures

Membranes and Complex Interfaces

     Transpiration

Active Matter

     Active Particles

Miscellaneous Projects

     Graphene Squeeze Film Resonators


Publications

Nicholas Z. Liu, Daniel R. Ladiges, Jason Nassios, and John E. Sader, Acoustic flows in a slightly rarefied gas, Physical Review Fluids, to appear, 2020.

Yong Shi, Daniel. R. Ladiges, and John E. Sader, Origin of spurious oscillations in lattice Boltzmann simulations of oscillatory noncontinuum gas flows, Physical Review E, 100(5), 053317, 2019. [doi]

D. R. Ladiges, A. J. Nonaka, J. B. Bell, and A. L. Garcia, "On the Suppression and Distortion of Non-Equilibrium Fluctuations by Transpiration," Phys. Fluids, 149, 052002, 2019. [doi]

A. Donev, A. J. Nonaka, C. Kim, A. L. Garcia and J. B. Bell, "Fluctuating hydrodynamics of electrolytes at electroneutral scales," Phys. Rev. Fluids. 4, 4, 2019. [link]

A. Donev, A. L. Garcia, J.-P. Péraud, A. J. Nonaka and J. B. Bell, "Fluctuating Hydrodynamics and Debye-Hückel-Onsager Theory for Electrolytes," submitted for publication [arxiv]

C. Kim, A. Nonaka, J.B. Bell, A.L. Garcia, and A. Donev, "Fluctuating hydrodynamics of reactive liquid mixtures," J. Chem. Phys. 149, 084113, 2018. [doi] [arxiv]

J-P. Péraud, A. Nonaka, J. B. Bell, A. Donev, and A. L. Garcia, "Fluctuation-Enhanced Electric Conductivity in Electrolyte Solutions," P. Natl. Acad. Sci. USA, 114, 41, 2017. [doi] [arxiv]

C. Kim, A. Nonaka, J. B. Bell, A. L. Garcia, and A. Donev, "Stochastic Simulation of Reaction-Diffusion Systems: A Fluctuating-Hydrodynamics Approach," J. Chem. Phys. 146, 124110, 2017. [doi] [arxiv]

J-P. Péraud, A. Nonaka, A. Chaudhri, J. B. Bell, A. Donev, and A. L. Garcia, "Low Mach Number Fluctuating Hydrodynamics for Electrolytes," Phys. Rev. Fluids 1, 074103, 2016. [doi] [arxiv]

A. K. Bhattacharjee, K. Balakrishnan, A. L. Garcia, J. B. Bell, and A. Donev, "Fluctuating Hydrodynamics of Multispecies Reactive Mixtures," J. Chem. Phys. 142, 224107, 2015. [doi] [arxiv]

A. Donev, A. Nonaka, A. K. Bhattacharjee, A. L. Garcia, and J. B. Bell, "Low Mach Number Fluctuating Hydrodynamics of Multispecies Liquid Mixtures," Phys. Fluids 27, 037103, 2015. [doi] [arxiv]

A. Nonaka, Y. Sun, J. B. Bell, and A. Donev, "Low Mach Number Fluctuating Hydrodynamics of Binary Liquid Mixtures," Comm. App. Math. Comp. Sci. 10, 163-204, 2015. [doi] [arxiv]

A. Chaudhri, J. B. Bell, A. L. Garcia, and A. Donev, "Modeling Multi-Phase Flow Using Fluctuating Hydrodynamics", Phys. Rev. E 90, 033014, 2014. [doi] [arxiv]

M. Cai, A. Nonaka, B. E. Griffith, J. B. Bell, and A. Donev, "Efficient Variable-Coefficient Finite-Volume Stokes Solvers," Commun. Comput. Phys. 16, 1263-1297, 2014. [doi] [arxiv]

A. Donev, A. Nonaka, Y. Sun, T. Fai, A. Garcia, and J. B. Bell, "Low Mach Number Fluctuating Hydrodynamics of Diffusively Mixing Fluids," Comm. App. Math. Comp. Sci. 9, 47-105, 2014. [doi] [arxiv]

K. Balakrishnan, A. Garcia, A. Donev, and J. B. Bell, "Fluctuating Hydrodynamics of Multispecies Nonreactive Mixtures," Phys. Rev. E 89, 013017, 2014. [doi] [arxiv]

F. Balboa Usabiaga, J. B. Bell, R. Delgado-Buscalioni, A. Donev, T. Fai, B. Griffith, and C. Peskin, "Staggered Schemes for Fluctuating Hydrodynamics," Multiscale Model. Simul. 10, 1360-1408, 2012. [doi] [arxiv]

K. Balakrishnan, J. B. Bell, A. Donev, and A. Garcia, "Fluctuating Hydrodynamics and Direct Simulation Monte Carlo," 28th International Symposium on Rarefied Gas Dynamics, AIP Conf. Proc. 1501, 695-704, 2012. [pdf]

A. Garcia, A. Donev, J. B. Bell, and B. Alder, "Hydrodynamic Fluctuations in a Particle-Continuum Hybrid for Complex Fluids," 27th International Symposium on Rarefied Gas Dynamics, AIP Conf. Proc. 1333, 551-556, 2011. [pdf]

A. Donev, A. de la Fuente, J. B. Bell, and A. L. Garcia, "Enhancement of Diffusive Transport by Nonequilibrium Thermal Fluctuations," JSTAT 2011, P06014, (2011). [doi] [arxiv]

A. Donev, A. de la Fuente, J. B. Bell, and A. L. Garcia, "Diffusive Transport by Thermal Velocity Fluctuations," Phys. Rev. Lett. 106, 204501, 2011. [doi] [arxiv]

A. Donev, J. B. Bell, A. L. Garcia, and B. J. Alder, "A Hybrid Particle-Continuum Method for Hydrodynamics of Complex Fluids," Multiscale Model. Simul. 8, 871-911, 2010. [doi [arxiv]

A. Donev, E. Vanden-Eijnden, A. Garcia, and J. Bell, "On the Accuracy of Explicit Finite-Volume Schemes for Fluctuating Hydrodynamics," Comm. App. Math. Comp. Sci. 5, 149-197, 2010. [doi] [arxiv]

J. B. Bell, A. L. Garcia, and S. A. Williams, "Computational Fluctuating Fluid Dynamics," ESAIM: Mathematical Modelling and Numerical Analysis 44, 1085-1105, 2010. [doi] [pdf]

A. Donev, A. L. Garcia, and B. J. Alder, "A Thermodynamically-Consistent Non-Ideal Stochastic Hard Sphere Fluid," J. Stat. Mech., P11008, 2009. [doi] [arxiv]

S. A. Williams, J. B. Bell, and A. L. Garcia, "Algorithm Refinement for Fluctuating Hydrodynamics," Multiscale Model. Simul. 6, 1256-1280, 2008. [doi] [pdf]

J. B. Bell, A. L. Garcia, and S. A. Williams, "Numerical Methods for the Stochastic Landau-Lifshitz Navier-Stokes Equations," Phys. Rev. E 76, 016708, 2007. [doi] [arxiv]

J. B. Bell, J. Foo, and A. L. Garcia, "Algorithm Refinement for the Stochastic Burgers' Equation," J. Comp. Phys. 223, 451-468, 2007. [doi] [pdf]

A. L. Garcia, J. B. Bell, W. Y. Crutchfield, and B. J. Alder, "Adaptive Mesh and Algorithm Refinement Using Direct Simulation Monte Carlo," J. Comp. Phys. 154, 134-155, 1999. [doi] [ps.gz]