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Search Publications by: Jack F. Douglas (Assoc)

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Displaying 51 - 75 of 714

Dynamic Heterogeneity and Collective Motion in Star Polymer Melts

February 4, 2020
Author(s)
Jack F. Douglas, Jinpeng Fan, Hamed Emamy, Francis W. Starr, Alexandros Chremos
While glass formation of linear chain polymers has been widely explored, comparatively little is known about glass formation in star polymer melts. We study the segmental dynamics of star polymers via molecular dynamics simulations and contrast the

Influence of Polymer Topology on Crystallization in Thin Films

January 22, 2020
Author(s)
Jack F. Douglas, Andrea Giuntoli, Alexandros Chremos
We investigate how varying molecular topology of polymers influences crystallization in thin polymer films. In particular, we simulate linear and star polymers having a progressively increasing number of arms (f ≤ 16) for fixed molecular mass of polymer

Lattice theory for binding of linear polymers to a solid substrate from polymer melts: II. Influence of van der Waals interactions and chain semi?exibility on molecular binding and adsorption

September 30, 2019
Author(s)
Jack F. Douglas, Jacek Dudowicz, Karl Freed
The Polymeric Langmuir Theory (PLT), developed in Paper I, is employed to investigate the influence of van der Waals interactions and chain rigidity on the thermodynamics of the reversible molecular binding to interfaces in one component polymer fluids

The Interfacial Zone in Thin Polymer Films and Around Nanoparticles in Polymer Nanocomposites

September 26, 2019
Author(s)
Jack F. Douglas, Wengang Zhang, Hamed Emamy, Fernando Vargas-Lara, Beatriz Betancourt, Francis W. Starr
We perform coarse-grained simulations of model unentangled polymer materials to quantify the range over which interfaces alter the structure and dynamics in the vicinity of the interface. We study both model polymer-nanoparticle (NP) composites with

The Interfacial Zone Around Nanoparticles in Polymer Nanocomposites

September 2, 2019
Author(s)
Jack F. Douglas, Beatriz Betancourt, Fernando Vargas-Lara, Francis W. Starr, Wengang Zhang
We perform coarse-grained simulations of model nanoparticles having a diameter on the order of 10 nm in an unentangled polymer matrix in the limit of low nanoparticle concentration to understand how the presence of nanoparticles alter the segmental

Three-state structural heterogeneity in a model two dimensional liquid

August 3, 2019
Author(s)
Jack F. Douglas, Tamoghna Das
Three structural populations with distinct average mobility are identi ed within an equilibrium two-dimensional Lennard-Jones uid simulated via molecular dynamics at a constant temperature and varying density. Quantifying the structure of the immediate

Analysis of Different Computational Techniques for Calculating the Polarizability Tensors of Stem Cells with Realistic Three-Dimensional Morphologies

July 15, 2019
Author(s)
Jack F. Douglas, Beatriz Betancourt, Somen Baidya, Ahmed M. Hassan, Waleed Al-Shaikhli, Edward J. Garboczi
In living systems, it is frequently stated that form follows function by virtue of evolutionary pressures on organism development, but in the study of how functions emerge at the cellular level, function often follows form. We study this chicken versus egg
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