A5049576257- Nanopore and Nanochannel Transport Studies
- Fuel Cells and Related Materials
- Thermal properties of materials
- Force Microscopy Techniques and Applications
- Adhesion, Friction, and Surface Interactions
- Electrostatics and Colloid Interactions
- Surface Modification and Superhydrophobicity
- Electrohydrodynamics and Fluid Dynamics
- Chemical and Environmental Engineering Research
- Spectroscopy and Quantum Chemical Studies
- Lipid Membrane Structure and Behavior
- nanoparticles nucleation surface interactions
- Mass Spectrometry Techniques and Applications
- Advanced Thermodynamics and Statistical Mechanics
Osaka University
2019-2024
To characterize liquid-solid friction using molecular dynamics simulations, Bocquet and Barrat (BB) [Phys. Rev. E 49, 3079–3092 (1994)] proposed to use the plateau value of a Green-Kubo (GK) integral force. The BB method is delicate apply in finite-size where GK vanishes at long times. Here, we derive an expression for systems, based on Langevin description coarse-grained system effectively involving certain thickness liquid close wall. Fitting this integrals obtained from simulations slab...
The contact line (CL) is where solid, liquid, and vapor phases meet, Young's equation describes the macroscopic force balance of interfacial tensions between these three phases. These are related to nanoscale stress inhomogeneity appearing around interface, for curved CLs, e.g., a three-dimensional droplet, another known as tension must be included in equation. has units force, acting parallel CL, required incorporate extra CL into balance. Considering this feature, Bey et al. [J. Chem....
Molecular dynamics simulations are a powerful tool to characterize liquid-solid friction. A slab configuration with periodic boundary conditions in the lateral dimensions is commonly used, where measured friction coefficient could be affected by finite size of simulation box. Here we show that for very wetting liquid close its melting temperature, strong effects can persist up large box sizes along flow direction, typically $\ensuremath{\sim}30$ particle diameters. We relate observed...
Solid-liquid friction plays a key role in nanofluidic systems. Following the pioneering work of Bocquet and Barrat, who proposed to extract coefficient (FC) from plateau Green-Kubo (GK) integral solid-liquid shear force autocorrelation, so-called problem has been identified when applying method finite-sized molecular dynamics simulations, e.g., with liquid confined between parallel solid walls. A variety approaches have developed overcome this problem. Here, we propose another that is easy...
Nanofluidics shows great promise for energy conversion and desalination applications. The performance of nanofluidic devices is controlled by liquid-solid friction, quantified the Navier friction coefficient (FC). Despite decades research, there no well-established generic framework to determine frequency dependent FC from atomistic simulations. Here, we have derived analytical expressions connect random force autocorrelation on confining wall, observation that can be related hydrodynamic...
The contact line (CL) is where solid, liquid and vapor phases meet, Young's equation describes the macroscopic force balance of interfacial tensions between these three phases. These are related to nanoscale stress inhomogeneity appearing around interface, for curved CLs, eg a three-dimensional droplet, another known as tension must be included in equation. has units force, acting parallel CL, required incorporate extra CL into balance. Considering this feature, Bey et al. [J. Chem. Phys....
Solid-liquid friction plays a key role in nanofluidic systems. Yet, despite decades of method development to quantify solid-liquid using molecular dynamics (MD) simulations, an accurate and widely applicable is still missing. Here, we propose the coefficient (FC) from equilibrium MD simulations liquid confined between parallel solid walls. In this method, FC evaluated by fitting Green-Kubo (GK) integral S-L shear force autocorrelation for range time scales where GK slowly decays with time....