PolyHub Reprint Library: Nonequilibrium Molecular Dynamics Simulation
- *Individual chain dynamics of a polyethylene melt undergoing steady shear flow, M.H. Nafar Sefiddashti, and B. Khomami, J. Rheol., 59, 119-153 (2015).
- *Tension thickening, molecular shape, and flow birefringence of an H-shaped polymer melt in steady shear and planar extension, C. Baig and V.G. Mavrantzas, J. Chem. Phys. 132, 014904 (2010).
- *Single-chain dynamics of linear polyethylene liquids under shear flow, J.M. Kim, B.J. Edwards, D.J. Keffer, and B. Khomami, Phys. Lett. A, 373, 769-772 (2009).
- Systematic time-scale-bridging molecular dynamics applied to flowing polymer melts: P. Ilg, H.C. Öttinger, and M. Kröger, Phys. Rev. E, 79, 011802 (2009).
- Visualization of conformational changes of linear short-chain polyethylenes under shear and elongational flows, J.M. Kim, B.J. Edwards, and D.J. Keffer, J. Mol. Graph. Model., 26, 1046-1056 (2008).
- Formation of double helical and filamentous structures in models of physical and chemical gels: M. Kröger, O. Peleg, Y. Ding, Y. Rabin, Soft Matter, 4, 18-28 (2008).
- A molecular dynamics study of the stress-optical behavior of a linear short-chain polyethylene melt under shear, C. Baig, B.J. Edwards, and D.J. Keffer, Rheo. Acta, 46, 1171-1186 (2007).
- Structure formation under steady-state isothermal planar elongational flow of n-eicosane: a comparison between simulation and experiment, T.C. Ionescu, C. Baig, B.J. Edwards, D.J. Keffer, and A. Habenschuss, Phys. Rev. Lett., 96, 037802 (2006).
- Rheological and structural studies of linear polyethylene melts under planar elongational flow using nonequilibrium molecular dynamics simulations, C. Baig, B.J. Edwards, D.J. Keffer, H.D. Cochran, and V.A. Harmandaris, J. Chem. Phys., 124, 084902 (2006).
- A validation of the p-SLLOD equations of motion for homogeneous steady-state flows, B.J. Edwards, C. Baig, and D.J. Keffer, J. Chem. Phys., 124, 194104 (2006).
- A comparison of simple rheological models and simulation data of n-hexadecane under shear and elongational flow, C. Baig, B. Jiang, B.J. Edwards, D.J. Keffer, and H.D. Cochran, J. Rheol., 50, 625-640 (2006).
- Estimation and analysis of the rheological properties of a perfluoropolyether through molecular dynamics simulation, B. Jiang, D.J. Keffer, and B.J. Edwards, J. Fluor. Chem., 127, 787-795 (2006).
- Simple models for complex nonequilibrium fluids: M. Kröger, Phys. Rep., 390, 453-551 (2004).
- Wormlike micelles under shear flow: a microscopic model studied by nonequilibrium molecular dynamics computer simulations: M. Kröger and R. Makhloufi, Phys. Rev. E, 53, 2531-2536 (1996).
- Structural changes and rheology of polymer melts via nonequilibrium molecular dynamics, M. Kröger, W. Loose, and S. Hess, J. Rheol., 37, 1057-1079 (1993).
- Viscoelasticity of polymeric melts and concentrated solutions. The effect of flow-induced alignment of chain ends, M. Kröger and S. Hess, Physica A, 195, 336-353 (1993).