5 citations · 9 across the 5 of their papers we have counts for
5 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…
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…
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…
Machine learning a time-local fluctuation theorem for nonequilibrium steady states
Stephen Sanderson, Charlotte F. Petersen, Debra J. Searles
Fluctuation theorems (FTs) quantify the thermodynamic reversibility of a system, and for deterministic systems they are defined in terms of the dissipation function. However, in a…