Joerg Rottler

2017

Huber L, Grabowski B, Militzer M, Neugebauer J, Rottler J. "Ab initio modelling of solute segregation energies to a general grain boundary." Acta Materialia. 2017;132:138-148. Abstract
Jabbari-Farouji S, Lame O, Perez M, Rottler J, Barrat J-L. "Role of the Intercrystalline Tie Chains Network in the Mechanical Response of Semicrystalline Polymers." Physical Review Letters. 2017;118:217802. Abstract

2016

Nicolas A, Barrat J-L, Rottler J. "Effects of Inertia on the Steady-Shear Rheology of Disordered Solids." Physical Review Letters. 2016;116:058303. Abstract
Huber L, Grabowski B, Militzer M, Neugebauer J, Rottler J. "A QM/MM approach for low-symmetry defects in metals." Computational Materials Science. 2016;118:259-268. Abstract
Triandafilidi V, Rottler J, Hatzikiriakos SG. "Molecular dynamics simulations of monodisperse/bidisperse polymer melt crystallization." Journal of Polymer Science Part B: Polymer Physics. 2016;54:2318-2326. Abstract
Puosi F, Rottler J, Barrat J-L. "Plastic response and correlations in athermally sheared amorphous solids." Physical Review E. 2016;94:032604. Abstract

2015

Jabbari-Farouji S, Rottler J, Lame O, Makke A, Perez M, Barrat J-L. "Plastic Deformation Mechanisms of Semicrystalline and Amorphous Polymers." {ACS} Macro Letters. 2015:147-150. Abstract
Cubuk E  D, Schoenholz S  S, Rieser J  M, et al. "Identifying Structural Flow Defects in Disordered Solids Using Machine-Learning Methods." Physical Review Letters. 2015;114:108001. Abstract
Jabbari-Farouji S, Rottler J, Lame O, Makke A, Perez M, Barrat J-L. "Correlation of structure and mechanical response in solid-like polymers." Journal of Physics: Condensed Matter. 2015;27:194131. Abstract
Dontsova E, Rottler J, Sinclair CW. "Solute segregation kinetics and dislocation depinning in a binary alloy." Physical Review B. 2015;91:224103. Abstract
Berry J, Rottler J, Sinclair CW, Provatas N. "Atomistic study of diffusion-mediated plasticity and creep using phase field crystal methods." Physical Review B. 2015;92:134103. Abstract

2014

Schoenholz S  S, Liu A  J, Riggleman R  A, Rottler J. "Understanding Plastic Deformation in Thermal Glasses from Single-Soft-Spot Dynamics." Physical Review X. 2014;4:031014. Abstract
Militzer M, Hoyt JJ, Provatas N, Rottler J, Sinclair CW, Zurob HS. "Multiscale Modeling of Phase Transformations in Steels." {JOM}. 2014;66:740-746. Abstract
Parker AJ, Rottler J. "Using Soft Potentials for the Simulation of Block Copolymer Morphologies." Macromolecular Theory and Simulations. 2014:n/a–n/a. Abstract
Berry J, Provatas N, Rottler J, Sinclair CW. "Phase field crystal modeling as a unified atomistic approach to defect dynamics." Physical Review B. 2014;89:214117. Abstract

2013

Warren M, Rottler J. "Quench, Equilibration, and Subaging in Structural Glasses." Physical Review Letters. 2013;110:025501. Abstract
Ghanbarian S, Rottler J. "Solvation effects on like-charge attraction." The Journal of Chemical Physics. 2013;138:084901. Abstract
Liu JC-Y, Rottler J, Wang L, et al. "Myosin filaments in smooth muscle cells do not have a constant length." The Journal of Physiology. 2013:jphysiol.2013.264168.
Rottler J. Modelling Atomic Scale Structure and Dynamics at Interfaces on Diffusive Timescales. Vol. 46. Jülich: Workshop on Hybrid Particle-Continuum Methods in Computational Materials Physics, Jülich(Germany); 2013. NIC Series 46.

2012

Rottler J, Greenwood M, Ziebarth B. "Morphology of monolayer films on quasicrystalline surfaces from the phase field crystal model." Journal of Physics: Condensed Matter. 2012;24:135002.
Huber L, Elfimov I, Rottler J, Militzer M. "Ab initio calculations of rare-earth diffusion in magnesium." Physical Review B. 2012;85:144301. Abstract
Berry J, Provatas N, Rottler J, Sinclair CW. "Defect stability in phase-field crystal models: Stacking faults and partial dislocations." Physical Review B. 2012;86:224112. Abstract

2011

Greenwood M, Rottler J, Provatas N. "Phase-field-crystal methodology for modeling of structural transformations." Physical Review E. 2011;83:031601. Abstract
Makke A, Perez M, Rottler J, Lame O, Barrat J‐L. "Predictors of Cavitation in Glassy Polymers under Tensile Strain: A Coarse‐Grained Molecular Dynamics Investigation." Macromolecular Theory and Simulations. 2011;20:826-836. Abstract
Rottler J, Maggs AC. "Long-ranged electrostatics from local algorithms." Soft Matter. 2011;7:3260-3267. Abstract
Greenwood M, Ofori-Opoku N, Rottler J, Provatas N. "Modeling structural transformations in binary alloys with phase field crystals." Physical Review B. 2011;84:064104. Abstract

2010

Warren M, Rottler J. "Deformation-induced accelerated dynamics in polymer glasses." The Journal of Chemical Physics. 2010;133:164513.
Liu A{Y-H }, Rottler J. "Aging under stress in polymer glasses." Soft Matter. 2010;6:4858-4862. Abstract
Morriss-Andrews A, Rottler J, Plotkin SS. "A systematically coarse-grained model for DNA and its predictions for persistence length, stacking, twist, and chirality." The Journal of Chemical Physics. 2010;132:035105.
Warren M, Rottler J. "Microscopic View of Accelerated Dynamics in Deformed Polymer Glasses." Physical Review Letters. 2010;104:205501. Abstract

2009

Rottler J, Krayenhoff B. "Numerical studies of nonlocal electrostatic effects on the sub-nanoscale." Journal of Physics: Condensed Matter. 2009;21:255901.
Liu AY {‐H}, Rottler J. "Physical aging and structural relaxation in polymer nanocomposites." Journal of Polymer Science Part B: Polymer Physics. 2009;47:1789-1798. Abstract
Jones AK, Ballestad A, Li T, Whitwick M, Rottler J, Tiedje T. "Faceting at the step flow threshold in epitaxial growth on patterned surfaces." Physical Review B. 2009;79:205419. Abstract
Rottler J. "Fracture in glassy polymers: a molecular modeling perspective." Journal of Physics: Condensed Matter. 2009;21:463101.

2008

Thompson D, Rottler J. "Local Monte Carlo for electrostatics in anisotropic and nonperiodic geometries." The Journal of Chemical Physics. 2008;128:214102.
Warren M, Rottler J. "Modification of the ageing dynamics of glassy polymers due to a temperature step." Journal of Physics: Condensed Matter. 2008;20:244131.
Karttunen M, Rottler J, Vattulainen I, Sagui C, Feller SE. "Chapter 2 Electrostatics in Biomolecular Simulations: Where Are We Now and Where Are We Heading?". In: Computational Modeling of Membrane Bilayers. Vol. Volume 60. Academic Press; 2008:. Abstract
Rottler J, Warren M. "Deformation, yield and ageing in glassy solids." The European Physical Journal Special Topics. 2008;161:9.

2007

Rottler J, Srolovitz DJ, Car R. "Kinetic Monte Carlo study of radiation-induced segregation in model metallic alloys." Philosophical Magazine. 2007;87:3945-3958.

2005

Rottler J, Robbins MO. "Macroscopic friction laws and shear yielding of glassy solids." Computer Physics Communications. 2005;169:177-182. Abstract
Rottler J, Srolovitz DJ, Car R. "Point defect dynamics in bcc metals." Physical Review B. 2005;71:064109. Abstract
Maggs {AC }, Rottler J. "Auxiliary field simulation and Coulomb's law." Computer Physics Communications. 2005;169:160-165. Abstract
Zepeda-Ruiz LA, Rottler J, Wirth BD, Car R, Srolovitz DJ. "Self-interstitial transport in vanadium." Acta Materialia. 2005;53:1985-1994. Abstract
Arya G, Rottler J, Panagiotopoulos AZ, Srolovitz DJ, Chaikin PM. "Shear Ordering in Thin Films of Spherical Block Copolymer." Langmuir. 2005;21:11518-11527. Abstract

2004

Zepeda-Ruiz LA, Rottler J, Han S, Ackland GJ, Car R, Srolovitz DJ. "Strongly non-Arrhenius self-interstitial diffusion in vanadium." Physical Review B. 2004;70:060102. Abstract
Rottler J, Maggs AC. "A continuum, O(N) Monte Carlo algorithm for charged particles." The Journal of Chemical Physics. 2004;120:3119.
Zepeda-Ruiz LA, Rottler J, Han S, Ackland GJ, Car R, Srolovitz DJ. "Strongly non-Arrhenius self-interstitial diffusion in vanadium." Physical Review B. 2004;70:060102. Abstract
Rottler J, Robbins MO. "Craze formation and the fracture energy of glassy polymers." Chaos: An Interdisciplinary Journal of Nonlinear Science. 2004;14:S5.
Rottler J, Maggs AC. "A continuum, O(N) Monte Carlo algorithm for charged particles." The Journal of Chemical Physics. 2004;120:3119.
Rottler J, Maggs AC. "Local Molecular Dynamics with Coulombic Interactions." Physical Review Letters. 2004;93:170201. Abstract

2003

Rottler J, Robbins MO. "Molecular simulations of deformation and failure in bonds formed by glassy polymer adhesives." Journal of Adhesion Science and Technology. 2003;17:369-381. Abstract

2002

Rottler J, Robbins MO. "Jamming under Tension in Polymer Crazes." Physical Review Letters. 2002;89:195501. Abstract

2001

Rottler J, Robbins MO. "Yield conditions for deformation of amorphous polymer glasses." Physical Review E. 2001;64:051801. Abstract

2000

Heinrichs S, Rottler J, Maass P. "Nucleation on top of islands in epitaxial growth." Physical Review B. 2000;62:8338-8359. Abstract

1999

Rottler J, Maass P. "Second Layer Nucleation in Thin Film Growth." Physical Review Letters. 1999;83:3490-3493. Abstract

1998

Eriksson J, Rottler J, Reimann CT. "Fast-ion-induced surface tracks in bioorganic films." International Journal of Mass Spectrometry and Ion Processes. 1998;175:293-308. Abstract

1997

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