269 citations · 1.1k across the 36 of their papers we have counts for
36 papers
On the importance of numerical integration details for homogeneous flow simulation
Stephen Sanderson, Debra J. Searles
The Sllod equations of motion enable modeling of homogeneous flow at the atomic scale, and are commonly used to predict fluid properties such as viscosity. However, few publicly av…
Study of the Molecular Level Mechanism of Nanoscale Alternating Current Electrohydrodynamic Flow
Sobin Alosious, Fiach Antaw, Matt Trau +2
This study investigates the molecular-level mechanism of Alternating Current Electrohydrodynamic (AC-EHD) flow in nanopores under high-frequency conditions, using molecular dynamic…
Mechanical Degradation of Unentangled Polymer Melts under Uniaxial Extensional Flow
Mingchao Wang, Stephen Sanderson, Debra J. Searles
Complex flow fields govern the deformation of polymers in various manufacturing processes. However, high flow rates may trigger reaction events (i.e., bond breaking or undesirable…
Anomalous Diffusion and Emergent Universality in Coupled Memory-Driven Systems
Nick Dashti, M. N. Najafi, Debra J. Searles
Understanding how simple local interactions give rise to emergent exploration patterns is a fundamental question in statistical physics. We introduce a minimal model of two coupled…
Local temperature measurement in molecular dynamics simulations with rigid constraints
Stephen Sanderson, Shern R. Tee, Debra J. Searles
Constraining molecules in simulations (such as with constant bond lengths and/or angles) reduces their degrees of freedom (DoF), which in turn affects temperature calculations in t…
Fluctuation theorems and distribution functions for polar molecules in an electric field
Debra J. Searles, Stephen Sanderson
In this perspective we consider how modern statistical mechanics and response theory can be applied to understand the response of polar molecules to an applied electric field and t…