113 citations · 576 across the 11 of their papers we have counts for
11 papers
Relation Between Pore Size and the Compressibility of a Confined Fluid
Gennady Y. Gor, Daniel W. Siderius, Christopher J. Rasmussen +3
When a fluid is confined to a nanopore, its thermodynamic properties differ from the properties of a bulk fluid, so measuring such properties of the confined fluid can provide info…
Impact of surface roughness on diffusion of confined fluids
William P. Krekelberg, Vincent K. Shen, Jeffrey R. Errington +1
Using event-driven molecular dynamics simulations, we quantify how the self diffusivity of confined hard-sphere fluids depends on the nature of the confining boundaries. We explore…
Structural signatures of mobility on intermediate time scales in a supercooled fluid
William P. Krekelberg, Venkat Ganesan, Thomas M. Truskett
We use computer simulations to explore the manner in which the particle displacements on intermediate time scales in supercooled fluids correlate to their dynamic structural enviro…
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…
Composition and concentration anomalies for structure and dynamics of Gaussian-core mixtures
Mark J. Pond, William P. Krekelberg, Vincent K. Shen +2
We report molecular dynamics simulation results for two-component fluid mixtures of Gaussian-core particles, focusing on how tracer diffusivities and static pair correlations depen…
Anomalous structure and dynamics of the Gaussian-core fluid
William P. Krekelberg, Tanuj Kumar, Jeetain Mittal +2
It is known that there are thermodynamic states for which the Gaussian-core (GC) fluid displays anomalous properties such as expansion upon isobaric cooling (density anomaly) and i…