Predicting polymer dynamics at multiple length and time scales

Soft condensed matter, involving such diverse systems as synthetic or biological macromolecules to colloids, is a fast growing research area due to its ...

We predict polymer dynamics over a broad spectrum of length and time scales ranging from segmental relaxation on the monomer level to long time chain diffusion.

Predicting polymer dynamics at multiple length and time scales ...

Soft condensed matter, involving such diverse systems as synthetic or biological macromolecules to colloids, is a fast growing research area due to its ...

A multiscale framework for polymer modeling applied in a complex ...

This approach aims to investigate the interactions between polymers and the surrounding fluid at different length and time scales, considering the effects of ...

11. Integration of Modelling at Various Length and Time Scales

Fully atomistic simulation (where each atom is uniquely identified) is the core technology of polymer modelling. The methods use molecular mechanics, dy- namics ...

Polymer Conformations and Dynamics under Confinement with Two ...

... polymer chains on different time and length scales along the chain backbone. The Rouse modes of chain length N are defined as. (1). where rn(t) ...

Predicting polymer dynamics at multiple length and time ... - Altmetric

Predicting polymer dynamics at multiple length and time scales. Overview of attention for article published in Soft Matter, January 2009. Altmetric Badge ...

Polymer Dynamics - an overview | ScienceDirect Topics

Polymer dynamics encompass a range of length scales, with motions at the various length scales responding differently to changes in thermodynamic variables.

Multiscale Modeling and Simulation | Length and Time Scales

Bicerano, Prediction of Polymer Properties, third edition, Marcel ... These phenomena of vastly different length scales and time scales often have ...

Multiscale dynamics of semiflexible polymers from a universal ...

Simulating the dynamics of a semiflexible polymer across time and length scales that bridge the rigid and flexible regimes requires a ...

Award # 1059562 - Microscopic Details of Polymer Dynamics

... different time and length scales. The proposed work aims at creation of a ... length scales and predict macroscopic properties of polymers based on their chemical ...

Modeling and Simulations of Polymers: A Roadmap | Macromolecules

... time scales (e.g., dynamics from fast vibrations to long polymer relaxation times), and so forth. Theoretical approaches may (because of the ...

Timescale bridging in atomistic simulations of epoxy polymer ... - arXiv

Predictions of the elastic modulus are satisfactorily validated against the non-equilibrium molecular dynamics simulations in the high-frequency ...

Optimal Molecular Dynamics System Size for Increased Precision ...

Molecular dynamics (MD) simulation is an important tool for predicting thermo-mechanical properties of polymer resins at the nanometer length scale, ...

Simulations of Filled Polymers on Multiple Length Scales | NIST

... dynamics of the surrounding melt. We use time-dependent Ginzburg-Lanau simulations to model the mesoscale phase separation of an ultra-thin ...

Theoretical Approaches to Bridge Timescales in Polymer Dynamics

The work is supported by the Division of Chemistry and the Division of Materials Research. The theory enhances the basic ability to predict macroscopic ...

Time and length scales of polymer melts studied by coarse-grained ...

PDF | We present coarse-grained molecular dynamics simulations of linear polyethylene (PE) melts, ranging in chain length from C80 to C1000.

Polymer Modeling and Simulation | Schrödinger Materials Science

MS CG. Efficient coarse-grained (CG) molecular dynamics (MD) simulations for large systems over long time scales. Materials Science ... polymers for various ...

Simulation of Filled Polymer Melts on Multiple Length Scales

Additionally, the simulations show that the dynamics of the polymers can be dramatically altered by the choice of polymer-filler interactions. We use time- ...

Kremer–Grest Models for Commodity Polymer Melts

predict identical dynamics on the largest time scales accessible to ... emergent universal polymer behavior at larger time and length scales ...