3 papers
cond-mat.soft2025
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…
cond-mat.soft2025
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…
cond-mat.stat-mech2024
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…