Predicting polymer dynamics at multiple length and time ...

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 ...

Predicting polymer dynamics at multiple length and time scales

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 ...

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- ...

Polymer Dynamics - an overview | ScienceDirect Topics

Nevertheless, relaxation times for both the global chain and local segmental modes collapse onto (different) respective master curves as a function of the ...

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 ...

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 ...

Polymer Dynamics Across Multiple Length and Time Scales

Polymer Dynamics Across Multiple Length and Time Scales: Date. March 29, 2023. Overview Comments. Division/Committee: [POLY] Division of Polymer Chemistry ...

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 ...

Forecasting molecular dynamics energetics of polymers in solution ...

Data models from three recurrent neural networks, ERNN, LSTM and GRU, are trained and tested on half million points time series of the ...

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, ...

Toward diverse polymer property prediction using transfer learning

Traditional modeling approaches, such as molecular dynamics, have limitations when it comes to predicting polymer properties. These approaches can be time ...

dPOLY: Deep Learning of Polymer Phases and Phase Transition

of atoms and segments over multiple time and length scales.1−3 ... predict a phase transition of a polymer with a fixed chain length.

Comparison of Various Correlation Times in Polymer Melts by ...

This investigation presents data from prolonged molecular dynamics simulations of dense monodisperse polymer melts of linear polymer chains of length between N ...

Polymer Dynamics: Long Time Simulations and Topological ...

Simulations are very versatile tools to study the relaxation and dynamics of polymer melts and networks. The fact that polymer chains cannot pass through ...

Polymer/Solid Interfaces Through Multi-scale Simulations

Atomistic and coarse- grained dynamic simulations allow us to study a broad range of length and time scales. Keywords: polymer dynamics, polymer/solid ...

Theoretical Approaches to Bridge Timescales in Polymer Dynamics

A multiscale modeling procedure has been designed, which speeds up simulations for homopolymer melts and blends. An analytical solution of the multi-blocks ...

Challenges in Multiscale Modeling of Polymer Dynamics - MDPI

A typical polymeric network has a size of about 1 to 100 micrometers, with a relaxation time on the order of microseconds to milliseconds. Bulk polymeric ...

Simulations of Filled Polymers 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.

Dissipative Particle Dynamics Simulation Plus Slip-Springs for ...

Indeed, we observed that for the case with ξ = 0.4, N eSS ∞ ∼ 0.4 and the dynamics become inconsistent with entangled polymers (not shown). Thus ...