121 citations · 301 across the 5 of their papers we have counts for
6 papers
Structural anomalies of fluids: Origins in second and higher coordination shells
William P. Krekelberg, Jeetain Mittal, Venkat Ganesan +1
Compressing or cooling a fluid typically enhances its static interparticle correlations. However, there are notable exceptions. Isothermal compression can reduce the translational…
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…
How short-range attractions impact the structural order, self-diffusivity, and viscosity of a fluid
William P. Krekelberg, Jeetain Mittal, Venkat Ganesan +1
We present molecular simulation data for viscosity, self-diffusivity, and the local structural ordering of (i) a hard-sphere fluid and (ii) a square-well fluid with short-range att…
Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water
Manoj V. Athawale, Gaurav Goel, Tuhin Ghosh +2
We present results from extensive molecular dynamics simulations of collapse transitions of hydrophobic polymers in explicit water focused on understanding effects of lengthscale o…
Intrinsic vulnerabilities to mechanical failure in nanoscale films
Pooja Shah, Thomas M. Truskett
We use molecular simulations to explore how sample dimensions and interfacial properties impact some generic aspects of the mechanical and structural behavior of nanoconfined mater…
Triangle Distribution and Equation of State for Classical Rigid Disks
Dorothea K. Stillinger, Frank H. Stillinger, Salvatore Torquato +2
The triangle distribution function f^(3) for three mutual nearest neighbors in the plane describes basic aspects of short-range order and statistical thermodynamics in two-dimensio…