16 citations · 17 across the 6 of their papers we have counts for
3 papers · 1 filter
Computational study of active polar polymer melts: from active reptation to activity induced local alignment
Javier Oller-Iscar, Andrés R. Tejedor, Marisol Ripoll +1
This work investigates the effects of tangent polar activity on the conformational and dynamic properties of entangled polymer melts through Langevin molecular dynamics simulations…
Solid-liquid interfacial free energy from computer simulations: Challenges and recent advances
Nicodemo Di Pasquale, Jesus Algaba, Pablo Montero de Hijes +12
The theory of interfacial properties in liquid-liquid or liquid-vapour systems is nearly 200 years old. The advent of computational tools has greatly advanced the field, mainly thr…
Progressive polymer deformation induced by polar activity and the influence of inertia
Andrés R. Tejedor, Jorge Ramírez, Marisol Ripoll
Polar activity is shown here to induce a progressive local deformation of linear polymer chains, making a clear distinction between head and tail, while the overall chain conformat…