70 selected entries

	2024
Preprint	A.V. Karatrantos, L. Bouhala, A. Bick, X. Krokidis, M. Kröger Morphology, structure and dynamics of ionic polydimethylsiloxane-silica nanocomposites MRS Commun. (2024) resubmitted 6 may 2024
	2023
Article   25./a Σ 23	M. Kröger, J.D. Dietz, R.S. Hoy, C. Luap The Z1+package: Shortest multiple disconnected path for the analysis of entanglements in macromolecular systems Comput. Phys. Commun. 283 (2023) 108567    [DOI:10.1016/j.cpc.2022.108567]
	2022
Article   0.5/a Σ 1	A.V. Karatrantos, J. Khantaveramongkol, M. Kröger Structure and diffusion of ionic PDMS melts Polymers 14 (2022) 3070    [DOI:10.3390/polym14153070]
Article   5.2/a Σ 010	J.D. Dietz, M. Kröger, R.S. Hoy Validation and refinement of unified analytic model for flexible and semiflexible polymer melt entanglement Macromolecules 55 (2022) 3613-3626    [DOI:10.1021/acs.macromol.1c02597]
	2020
Article   8.6/a Σ 34	R. Ranganathan, V. Kumar, A.L. Brayton, M. Kröger, G.C. Rutledge Atomistic modeling of plastic deformation in semicrystalline polyethylene: role of interphase topology, entanglements and chain dynamics Macromolecules 53 (2020) 4605-4617    [DOI:10.1021/acs.macromol.9b02308]
Article   6.8/a Σ 27	R.S. Hoy, M. Kröger Unified analytic expressions for the entanglement length, tube diameter, and plateau modulus of polymer melts Phys. Rev. Lett. 124 (2020) 147801    [DOI:10.1103/PhysRevLett.124.147801]
	2019
Article   1.0/a Σ 5	P.S. Stephanou, M. Kröger Assessment of the tumbling-snake model against linear and nonlinear rheological data of bidisperse polymer blends Polymers 11 (2019) 376    [DOI:10.3390/polym11020376]
Article   1.2/a Σ 6	M. Kröger Efficient hybrid algorithm for the dynamic creation of semiflexible polymer solutions, brushes, melts and glasses Comput. Phys. Commun. 241 (2019) 178-179    [DOI:10.1016/j.cpc.2019.03.009]
Article   9.3/a Σ 46	A. Karatrantos, R.J. Composto, K.I. Winey, M. Kröger, N. Clarke Modeling of entangled polymer diffusion in melts and nanocomposites: A Review Polymers 11 (2019) 876    [DOI:10.3390/polym11050876]
Article   1.4/a Σ 7	S. Costanzo, L. Scherz, G. Floudas, R. Pasquino, M. Kröger, A.D. Schlüter, D. Vlassopoulos Hybrid dendronized polymers as molecular objects: viscoelastic properties in the melt Macromolecules 52 (2019) 7331-7342    [DOI:10.1021/acs.macromol.9b01412]
	2018
Article	P.S. Stephanou, M. Kröger From intermediate anisotropic to isotropic friction at large strain rates to account for viscosity thickening in polymer solutions J. Chem. Phys. (2018) 184903    [DOI:10.1063/1.5019337]
Article   1.0/a Σ 6	P.S. Stephanou, M. Kröger Tumbling-snake model for polymeric liquids subjected to biaxial elongational flows with a focus on planar elongation Polymers 10 (2018) 329    [DOI:10.3390/polym10030329]
Article   7.6/a Σ 45	Y.R. Sliozberg, I.-C. Yeh, M. Kröger, K.A. Masser, J.L. Lenhart, J.W. Andzelm Ordering and crystallization of entangled polyethylene melts under uniaxial tension: A molecular dynamics study Macromolecules 51 (2018) 9635-9648    [DOI:10.1021/acs.macromol.8b01538]
Article   1.6/a Σ 010	J. Kirk, M. Kröger, P. Ilg Surface disentanglement and slip in a polymer melt: A molecular dynamics study Macromolecules 51 (2018) 8996-9010    [DOI:10.1021/acs.macromol.8b01865]
	2017
Article   1.5/a Σ 11	P.S. Stephanou, M. Kröger Non-constant link tension coefficient in the tumbling-snake model subjected to simple shear J. Chem. Phys. 147 (2017) 174903    [DOI:10.1063/1.4991935]
Article   4.0/a Σ 28	P.S. Stephanou, T. Schweizer, M. Kröger Communication: Appearance of undershoots in start-up shear: Experimental findings captured by tumbling-snake dynamics J. Chem. Phys. 146 (2017) 161101    [DOI:10.1063/1.4982228]
Article   2.0/a Σ 14	X. Shang, M. Kröger, B. Leimkuhler Assessing numerical methods for molecular and particle simulation Soft Matter 13 (2017) 8565-8578    [DOI:10.1039/c7sm01526g]
Article   10./a Σ 70	C. Luo, M. Kröger, J.-U. Sommer Molecular dynamics simulations of polymer crystallization under confinement: Entanglement effect Polymer 109 (2017) 71-84    [DOI:10.1016/j.polymer.2016.12.011]
Report	M. Kröger Entanglement recognition in polymers Chimia 71 (2017) 779    [DOI:10.2533/chimia.2017.779]
	2016
Article   1.3/a Σ 11	P.S. Stephanou, M. Kröger Solution of the complete Curtiss-Bird model for polymeric liquids subjected to simple shear flow J. Chem. Phys. 144 (2016) 124905    [DOI:10.1063/1.4944674]
Article   3.5/a Σ 28	Y.R. Sliozberg, M. Kröger, T.L. Chantawansri Fast equilibration protocol for million atom systems of highly entangled linear polyethylene chains J. Chem. Phys. 144 (2016) 154901    [DOI:10.1063/1.4946802]
Article   6.9/a Σ 55	C. Luo, M. Kröger, J.-U. Sommer Entanglements and crystallization of concentrated polymer solutions: molecular dynamics simulations Macromolecules 49 (2016) 9017-9025    [DOI:10.1021/acs.macromol.6b02124]
Article   3.2/a Σ 26	S.H. Jeong, J.M. Kim, J. Yoon, C. Tzoumanekas, M. Kröger, C. Baig Influence of molecular architecture on the entanglement network: topological analysis of entangled linear, long- and short-chain branched polyethylene melts via Monte Carlo simulation Soft Matter 12 (2016) 3770-3786    [DOI:10.1039/c5sm03016a]
	2015
Report	M. Kröger Polymer Physics: Multiscale modeling of polymers, dendronized polymers, actin filaments, entanglements, endocytosis CSE Annual Report 2014/2015 (2015) 113, 227-228
	2014
Article   3.8/a Σ 38	R.J.A. Steenbakkers, C. Tzoumanekas, Y. Li, W.K. Liu, M. Kröger, J.D. Schieber Primitive-path statistics of entangled polymers: Mapping multi-chain simulations onto single-chain mean-field models New J. Phys. 16 (2014) 015027    [DOI:10.1088/1367-2630/16/1/015027]
Article   1.5/a Σ 15	E. Panagiotou, M. Kröger Pulling-force-induced elongation and alignment effects on entanglement and knotting characteristics of linear polymers in a melt Phys. Rev. E 90 (2014) 042602    [DOI:10.1103/PhysRevE.90.042602]
	2013
Article   3.2/a Σ 35	Y.R. Sliozberg, R.A. Mrozek, J.D. Schieber, M. Kröger, J.L. Lenhart, J.W. Anzelm Effect of polymer solvent on the mechanical properties of entangled polymer gels: Coarse-grained molecular simulation Polymer 54 (2013) 2555-2564    [DOI:10.1016/j.polymer.2013.03.017]
Article   0.1/a Σ 2	M. Sadati, C. Luap, B. Lüthi, M. Kröger, H.C. Öttinger Application of full flow field reconstruction to a viscoelastic liquid in a 2D cross-slot channel J. Non-Newtonian Fluid Mech. 192 (2013) 10-19    [DOI:10.1016/j.jnnfm.2012.10.004]
Article   2.4/a Σ 27	E. Panagiotou, M. Kröger, K.C. Millet Writhe and mutual entanglement combine to give the entanglement length Phys. Rev. E 88 (2013) 062604    [DOI:10.1103/PhysRevE.88.062604]
	2012
Article   8.3/a Σ 100	Y. Li, M. Kröger, W.K. Liu Nanoparticle geometrical effect on structure, dynamics and anisotropic viscosities of polyethylene nanocomposites Macromolecules 45 (2012) 2099-2112    [DOI:10.1021/ma202289a]
Article   3.7/a Σ 45	A. Karatrantos, R.J. Composto, K.I. Winey, M. Kröger, N. Clarke Entanglements and dynamics of polymer melts near a SWCNT Macromolecules 45 (2012) 7274-7281    [DOI:10.1021/ma3007637]
	2011
Article   6.9/a Σ 90	G.N. Toepperwein, N.C. Karayiannis, R.A. Riggleman, M. Kröger, J.J. de Pablo Influence of nanorod inclusions on structure and primitive path network of polymer nanocomposites at equilibrium and under deformation Macromolecules 44 (2011) 1034-1045    [DOI:10.1021/ma102741r]
Article   2.3/a Σ 31	P. Ilg, M. Kröger Molecularly derived constitutive equation for low-molecular polymer melts from thermodynamically guided simulation J. Rheol. 55 (2011) 69-93    [DOI:10.1122/1.3523485]
	2010
Article   7.4/a Σ 103	P.S. Stephanou, C. Baig, G. Tsolou, V.G. Mavrantzas, M. Kröger Quantifying chain reptation in entangled polymer melts: Topological and dynamical mapping of atomistic simulation results onto the tube model J. Chem. Phys. 132 (2010) 124904    [DOI:10.1063/1.3361674]
Proc	V.G. Baig, P.S. Stephanou, G. Tsolou, V.G. Mavrantzas, M. Kröger Mapping of atomistic simulation data for the dynamics of entangled polymers onto the tube model: Calculation of the segmental survival probability function for mono- and bi- disperse melts and comparison with modern tube models AIChE 10 (2010) 83459
Article   2.0/a Σ 28	C. Baig, P.S. Stephanou, G. Tsolou, V.G. Mavrantzas, M. Kröger Understanding dynamics in binary mixtures of entangled cis-1,4-polybutadiene melts at the level of primitive path segments by mapping atomistic simulation data onto the tube model Macromolecules 43 (2010) 8239-8250    [DOI:10.1021/ma101211b]
Article   10./a Σ 146	C. Baig, V.G. Mavrantzas, M. Kröger Flow effects on the melt structure and entanglement network of linear polymer melts: Results from a nonequilibrium molecular dynamics simulation study of a polyethylene melt in steady shear Macromolecules 43 (2010) 6886-6902    [DOI:10.1021/ma100826u]
	2009
Proc	P.S. Stephanou, C. Baig, G. Tsolou, V.G. Mavrantzas, M. Kröger Topological and Dynamical Mapping of Atomistic Simulation Data Onto the Tube Model for Entangled Polymer Melts Panhellenic Chem Eng. Conf. 7 (2009)
Report	M. Kröger (Y. Rabin, A. Halperin, M. Laso, M.L. Mansfield) Theory for entangled polymeric melts and brushes, filamentous physical and chemical gels CSE Annual Report 2008/2009 (2009)
Article   3.0/a Σ 46	P. Ilg, H.C. Öttinger, M. Kröger Systematic time-scale-bridging molecular dynamics applied to flowing polymer melts Phys. Rev. E 79 (2009) 011802 [article also included in the Virtual J. Biol. Phys. 17:2 (2009)]    [arXiv:0806.0970;DOI:10.1103/PhysRevE.79.011802]
Article   17./a Σ 255	R.S. Hoy, K. Foteinopoulou, M. Kröger Topological analysis of polymeric melts: Chain-length effects and fast-converging estimators for entanglement length Phys. Rev. E 80 (2009) 031803    [DOI:10.1103/PhysRevE.80.031803]
Article   4.0/a Σ 60	K. Foteinopoulou, N.C. Karayiannis, M. Laso, M. Kröger Structure, dimensions, and entanglement statistics of long linear polyethylene chains J. Phys. Chem. B 113 (2009) 442-455    [10.1021/jp808287s]
Article   0.8/a Σ 12	A. Abedijaberi, J. Soulages, M. Kröger, B. Khomami Flow of branched polymer melts in a lubricated cross-slot channel: A combined computational and experimental study Rheol. Acta 48 (2009) 97-108    [10.1007/s00397-008-0317-9]
	2008
Article   1.3/a Σ 22	J. Soulages, T. Schweizer, D.C. Venerus, J. Hostettler, F. Mettler, M. Kröger, H.C. Öttinger Lubricated optical rheometer for the study of two-dimensional complex flows of polymer melts J. Non-Newtonian Fluid Mech. 150 (2008) 43-55    [10.1016/j.jnnfm.2007.10.006]
Article   0.7/a Σ 12	J. Soulages, T. Schweizer, D.C. Venerus, M. Kröger, H.C. Öttinger Lubricated cross-slot flow of a low density polyethylene melt J. Non-Newtonian Fluid Mech. 154 (2008) 52-64    [10.1016/j.jnnfm.2008.02.007]
Proc	A. Abedijaberi, J. Soulages, H.C. Öttinger, M. Kröger, B. Khomami Dynamics of Branched Polymer Melts in Complex Kinematics Flows: A Computational/Experimental Study XVth Int. Congress on Rheology, AIP Conf. Proc. 1027 (2008) 237-239    [10.1063/1.2964647]
	2007
Article   0.9/a Σ 16	O. Peleg, M. Kröger, I. Hecht, Y. Rabin Filamentous networks in phase-separating two-dimensional gels Europhys. Lett. 77 (2007) 58007 (5 pages)    [10.1209/0295-5075/77/58007]
Report	D. Gerhardt [M. Kröger, N.C. Karayiannis, M. Laso] Sensing model behaviour at the interface CSCS Annual report (2007)
	2006
Article   7.8/a Σ 141	K. Foteinopoulou, N.C. Karayiannis, V.G. Mavrantzas, M. Kröger Primitive path identification and entanglement statistics in polymer melts: Results from direct topological analysis on atomistic polyethylene models Macromolecules 39 (2006) 4207-4216    [10.1021/ma060306b]
	2005
Book   6.0/a Σ 115	M. Kröger Models for polymeric and anisotropic liquids Monography within the series Lecture Notes in Physics, Vol. 675 Springer, New York (2005)    [DOI:10.1007/b105182]
Article   19./a Σ 376	M. Kröger Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems Comput. Phys. Commun. 168 (2005) 209-232    [10.1016/j.cpc.2005.01.020]
Book	S. Hess, M. Kröger, P. Fischer Einfache und disperse Flüssigkeiten in: Gase, Nanosysteme, Flüssigkeiten, Bergmann-Schaefer, Lehrbuch der Experimentalphysik Vol 5 W. de Gruyter, Berlin (2005) 385-468    [DOI:10.1515/9783110198140]
	2004
Article   13./a Σ 270	M. Kröger Simple models for complex nonequilibrium fluids Phys. Rep. 390 (2004) 453-551    [10.1016/j.physrep.2003.10.014]
Article   1.7/a Σ 35	J.G. Hernández Cifre, S. Hess, M. Kröger Linear viscoelastic behavior of unentangled polymer melts via nonequilibrium molecular dynamics Macromol. Theory Simul. 13 (2004) 748-753    [10.1002/mats.200400021]
	2003
Article   8.7/a Σ 182	V.A. Harmandaris, V.G. Mavrantzas, D.N. Theodorou, M. Kröger, J. Ramírez, H.C. Öttinger, D. Vlassopoulos Crossover from the Rouse to the entangled polymer melt regime: Signals from long, detailed atomistic molecular dynamics simulations, supported by rheological experiments Macromolecules 36 (2003) 1376-1387    [10.1021/ma020009g]
	2002
Proc	M. Kröger, J. Fang, H.C. Öttinger Improved reptation model for polymer melts Proc. VI Europ. Conf. Rheol. LSP, Erlangen (2002) 241-242
Proc	S. Hess, C. Aust, M. Kröger Rotation, deformation and orientation of polymer molecules in a shear flow Proc. VI Europ. Conf. Rheol. LSP, Erlangen (2002) 305-306
	2000
Article   8.4/a Σ 201	M. Kröger, S. Hess Rheological evidence for a dynamical crossover in polymer melts via nonequilibrium molecular dynamics Phys. Rev. Lett. 85 (2000) 1128-1131    [10.1103/PhysRevLett.85.1128]
	1999
Article   1.7/a Σ 43	M. Kröger Efficient hybrid algorithm for the dynamic creation of semiflexible polymer solutions, brushes, melts and glasses Comput. Phys. Commun. 118 (1999) 278-298    [10.1016/S0010-4655(98)00160-X]
	1998
Article   0.1/a Σ 5	M. Kröger Flow-induced alignment of rodlike and flexible polymers in the molten state Physica A 249 (1998) 332-336    [10.1016/S0378-4371(97)00486-X]
	1997
Article   4.3/a Σ 116	M. Kröger, C. Luap, R. Muller Polymer melts under uniaxial elongational flow: stress-optical behavior from experiments and NEMD computer simulations Macromolecules 30 (1997) 526-539    [10.1021/ma960317c]
	1996
Proc	C. Luap, M. Kröger, S. Hess Polymer melts under uniaxial elongational flow: stress optical behavior from experiments and NEMD Proc. XIth Europ. Polym. Fed. Symp. (Crete/GR) 1 Hellenic Polym. Soc., Aghia Pelaghia (1996) 123
Article   2.7/a Σ 78	M. Kröger, R. Makhloufi Wormlike micelles under shear flow: a microscopic model studied by nonequilibrium molecular dynamics computer simulations Phys. Rev. E 53 (1996) 2531-2536    [10.1103/PhysRevE.53.2531]
	1995
Article   0.6/a Σ 20	M. Kröger NEMD computer simulation of polymer melt rheology Rheol. 5 (1995) 66-71    [DOI:10.3933/ApplRheol-5-66]
	1994
Proc	M. Kröger, S. Hess Polymer melts in shear and elongational flows. A nonequilibrium molecular dynamics study in: Progress and Trends in Rheology IV, Ed. C. Gallegos Steinkopff, Darmstadt (1994) 421
Article   1.1/a Σ 33	M. Kröger, H. Voigt On a quantity describing the degree of entanglement in linear polymer systems Macromol. Theory Simul. 3 (1994) 639-647    [10.1002/mats.1994.040030401]
Article   0.1/a Σ 5	M. Kröger Flow-alignment and rheology of polymer melts. Computation of the single-link orientational distribution function. Makromol. Chem. -- Macromol. Symp. 81 (1994) 83-90    [DOI:10.1002/masy.19940810110]
	1993
Proc	M. Kröger, S. Hess Steady-state alignment of polymer segments Proc. II. Int. Conf. Fluid Mechanics Peking Univ. Press, Bejing (1993) 849-857
Article   7.1/a Σ 220	M. Kröger, W. Loose, S. Hess Rheology and structural changes of polymer melts via nonequilibrium molecular dynamics J. Rheol. 37 (1993) 1057-1079    [10.1122/1.550409]
Article   1.4/a Σ 45	M. Kröger, S. Hess Viscoelasticity of polymeric melts and concentrated solutions. The effect of flow-induced alignment of chain ends Physica A 195 (1993) 336-353    [10.1016/0378-4371(93)90162-W]