205 citations · 1.9k across the 24 of their papers we have counts for
10 papers · 1 filter
Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles
William P. Krekelberg, Mark J. Pond, Gaurav Goel +3
Rosenfeld [Phys. Rev. A 15, 2545 (1977)] noticed that casting transport coefficients of simple monatomic, equilibrium fluids in specific dimensionless forms makes them approximatel…
Available states and available space: Static properties that predict dynamics of confined fluids
Gaurav Goel, William P. Krekelberg, Mark J. Pond +4
Although density functional theory provides reliable predictions for the static properties of simple fluids under confinement, a theory of comparative accuracy for the transport co…
Tuning density profiles and mobility of inhomogeneous fluids
Gaurav Goel, William P. Krekelberg, Jeffrey R. Errington +1
Density profiles are the most common measure of inhomogeneous structure in confined fluids, but their connection to transport coefficients is poorly understood. We explore via simu…
Calculation of surface tension via area sampling
Jeffrey R. Errington, David A. Kofke
We examine the performance of several molecular simulation techniques aimed at evaluation of the surface tension through its thermodynamic definition. For all methods explored, the…
Using Available Volume to Predict Fluid Diffusivity in Random Media
Jeetain Mittal, Jeffrey R. Errington, Thomas M. Truskett
We propose a simple equation for predicting self-diffusivity of fluids embedded in random matrices of identical, but dynamically frozen, particles (i.e., quenched-annealed systems)…
Relationship between thermodynamics and dynamics of supercooled liquids
Jeetain Mittal, Jeffrey R. Errington, Thomas M. Truskett
Diffusivity, a measure for how rapidly a fluid self-mixes, shows an intimate, but seemingly fragmented, connection to thermodynamics. On one hand, the "configurational" contributio…