Uncrossability constraints in mesoscopic polymer melt simulations: Non-rouse behavior of C120H242

By Jt Johan Padding, W. Briels. 2001

187 citations recorded by the source corpus.

Subfields: Fluid Flow and Transfer Processes, Materials Chemistry, Polymers and Plastics

View Paper: https://www.semanticscholar.org/paper/b937963563ee5b879f6a8a8fad1ba425f35ef3fe

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Fluid Flow and Transfer Processes

1. Wing Kam Liu
2. Ying Li
3. Brendan C. Abberton
4. Florian Müller-Plathe
5. Martin Kröger
6. SY Sergey Trofimov
7. E. Nies
8. Maj Thijs Michels

In Materials Chemistry

1. Ying Li
2. Brendan C. Abberton
3. Wing Kam Liu
4. Martin Kröger
5. Florian Müller-Plathe
6. SY Sergey Trofimov
7. E. Nies
8. Maj Thijs Michels

In Polymers and Plastics

1. Wing Kam Liu
2. Ying Li
3. Brendan C. Abberton
4. Florian Müller-Plathe
5. Martin Kröger
6. SY Sergey Trofimov
7. E. Nies
8. Maj Thijs Michels

Citations in the corpus

• Challenges in Multiscale Modeling of Polymer Dynamics (2013, methodology): “The bond potential consists of a repulsive term described by two Gaussians and an attractive term described by a single power law [84]:”
• Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back. (2002, background): “[39] Chain-crossing would violate essential dynamics of a polymer melt and render all calculated transport properties invalid.”
• Thermodynamic consistency in dissipative particle dynamics simulations of strongly nonideal liquids and liquid mixtures (2002, methodology): “This situation though can be improved by using the approach by Padding and Briels [83], which is able to enforce the explicit bond uncrossability constraints during the simulation.”