Publications

Topical Review

1. J. Rottler, Fracture in Glassy Polymers: a molecular modeling perspective, IOP topical review, J. Phys.: Condens. Matter 21 463101 (2009).

Journal articles and conference proceedings

1. M. Greenwood, N. Ofori-Opoku, J. Rottler, N. Provatas, Modeling structural transformations in binary alloys with phase field crystals, submitted to Phys. Rev. B (2011)
   
   
2. A. Makke, M. Perez, J. Rottler, O. Lame, J. -L. Barrat, Predictors of cavitation in glassy polymers under tensile strain: a coarse grained molecular dynamics investigation, Macromolecular Theory and Simulations (in press, 2011).
   
   
3. J. Rottler and A. C. Maggs, Long ranged electrostatics from local algorithms, Soft Matter 7, 3260 (2011).
   
   
4. M. Greenwood, J. Rottler, N. Provatas,  Phase Field Crystal Methodology for Modeling of Structural Transformations, Phys. Rev. E 83, 031601 (2011).
   
   
5. M. Warren and J. Rottler, Deformation-induced accelerated dynamics in polymer glasses, J. Chem. Phys. 133, 164513 (2010).

6. M. Greenwood, N. Provatas, J. Rottler, Free energy functionals for efficient phase field crystal modeling of structural phase transformations, Phys. Rev. Lett. 105 045702 (2010).

7. A. Y.-H. Liu and J. Rottler, Aging under stress in polymer glasses, Soft Matter 6, 4858 (2010).

8. M. Warren and J. Rottler, Microscopic view of accelerated dynamics in deformed polymer glasses, Phys. Rev. Lett. 104, 205501 (2010).

9. D. MacNeill and J. Rottler, From macroscopic yield criteria to atomic stresses in polymer glasses, Phys. Rev. E 81, 011804 (2010).

10. A. Morriss-Andrews, J. Rottler, and S. S. Plotkin A systematically coarse-grained model for DNA, and its predictions for persistence length, stacking, twist, and chirality, J. Chem. Phys. 132, 035105-035121 (2010).

11. M. Warren and J. Rottler, Atomistic mechanism of physical ageing in glassy materials EPL 88, 58005-58009 (2009).

12. A. Y.-H. Liu and J. Rottler, Physical aging and structural relaxation in polymer nanocomposites, J. Polymer Science Part B: Polymer Physics 47, 1789-1798 (2009).

13. J. Rottler and B. Krayenhoff, Numerical studies of nonlocal electrostatic effects on the sub-nanoscale, J. Phys.: Condens. Matter 21, 255901-255907 (2009).

14. A. K. Jones, A. Ballestad, T. Li, M. Whitwick, J. Rottler, and T. Tiedje, Faceting at the step flow threshold in epitaxial growth on patterned surfaces, Phys. Rev. B. 79, 205419-205403 (2009).

15. J. Rottler and P. Maass, Aging in the shear-transformation-zone theory of plastic deformation, Phys. Rev. E 78, 056109 (2008).

16. M. Warren and J. Rottler, Mechanical rejuvenation and overaging in the soft glassy rheology model, Phys. Rev. E 78, 041502 (2008).

17. J. Rottler and M. Warren, Deformation, yield and aging in glassy solids, Eur. Phys. J. Special Topics 161, 55 (2008)

18. D. Thompson and J. Rottler, Local Monte Carlo for electrostatics in anisotropic and nonperiodic geometries, J. Chem. Phys. 128, 214102 (2008).

19. M. Warren and J. Rottler, Modification of the aging dynamics of glassy polymers due to a temperature step, J. Phys.:Condens. Matter 20, 244131 (2008).

20. J. Rottler, Local electrostatics algorithm for classical molecular dynamics simulations, J. Chem. Phys. 127, 134104 (2007).

21. M. Warren and J. Rottler, Simulations of Aging and Plastic Deformation in Polymer Glasses, Phys. Rev. E 76, 031802 (2007).

22. J. Rottler and D. J. Srolovitz, Mechanism of shear induced alignment in bilayer thin films of spherical particles, Phys. Rev. Lett. 98, 175503 (2007).

23. J. Rottler, D. J. Srolovitz, and R. Car, Kinetic Monte Carlo study of radiation-induded segregation in model metayllic alloys, Phil. Mag. 87, 3945 (2007).

24. J. Rottler and M. O. Robbins, Aging effects on the shear yield stress of glassy solids, Phys. Rev. Lett. 95, 255504 (2005)

25. G. Arya, J. Rottler, A. Z. Panagiotopoulos, D. J. Srolovitz, and P. M. Chaikin, Shear Ordering in Thin Films of Spherical Block Copolymer, Langmuir 21, 11518 (2005)

26. J. Rottler, D. J. Srolovitz, and R. Car, Point defect dynamics in bcc metals, Phys. Rev. B 71, 064109 (2005).

27. L. Zepeda-Ruiz, J. Rottler, B. D. Wirth, D. J. Srolovitz, R. Car, Self-interstitial transport in vanadium, Acta Materialia 53, 1985 (2005).

28. J. Rottler and M. O. Robbins, Macroscopic friction laws and shear yielding of glassy solids, Comp. Phys. Comm. 169, 177 (2005), Proceedings of the Conference on Computational Physics 2004.

29. J. Rottler and A. C. Maggs, Auxiliary field simulation and Coulomb's law, Comp. Phys. Comm. 169, 160 (2005), Proceedings of the Conference on Computational Physics 2004.

30. L. Levrel, F. Alet, J. Rottler, A. C. Maggs, Local Simulation Algorithms for Coulombic Interactions, ``Proceedings of the 22nd IUPAP international conference on statistical physics (STATPHYS 22)'', Pramana 64, 1001 (2005).

31. L. Zepeda-Ruiz, J. Rottler, S. Han, G. J. Ackland, R. Car, and D. J. Srolovitz, Strongly non-Arrhenius self-interstitial diffusion in vanadium, Phys. Rev. B 70, 060102(R) (2004).

32. J. Rottler and M. O. Robbins, Craze formation and the fracture energy of glassy polymers, Chaos 14, S5 (2004).

33. J. Rottler and A. C. Maggs, Local Molecular Dynamics with Coulombic Interactions, Phys. Rev. Lett. 93, 170201 (2004).

34. J. Rottler and A. C. Maggs, A Continuum, O(N) Monte-Carlo algorithm for charged particles, J. Chem. Phys. 120, 3119 (2004).

35. J. Rottler and M. O. Robbins, Polymer Glasses, Simulation of Crazing and Fracture, invited contribution to Encyclopedia of Materials: Science and Technology (2004)

36. J. Rottler and M. O. Robbins, Shear yielding of amorphous glassy solids: Effect of temperature and strain rate, Phys. Rev. E. 68, 011507 (2003)

37. J. Rottler and M. O. Robbins, Growth, microstructure, and failure of crazes in glassy polymers , Phys. Rev. E. 68, 011801 (2003)

38. J. Rottler and M. O. Robbins, Molecular simulations of deformation and failure in bonds formed by glassy polymer adhesives, J. Adhesion Science and Technology 17, 369 (2003).

39. J. Rottler and M. O. Robbins, Jamming under tension in polymer crazes, Phys. Rev. Lett. 89, 195501 (2002).

40. J. Rottler, S. Barsky and M. O. Robbins, Cracks and Crazes: On calculating the Macroscopic Fracture Energy of Glassy Polymers from Molecular Simulations, Phys. Rev. Lett. 89, 148304 (2002).

41. S. Frank, H. Wedler, R. J. Behm, J. Rottler, P. Maass, K. J. Caspersen, C. R. Stoldt, P. A. Thiel and J. W. Evans, Approaching the Low-Temperature Limit in Nucleation and Growth of fcc(100) Metal Films - Ag/Ag(100), Phys. Rev. B 66, 155435 (2002).

42. J. Rottler and M. O. Robbins, Yield conditions for deformation of amorphous polymer glasses, Phys. Rev. E 64, 051801 (2001).

43. S. Heinrichs, J. Rottler and P. Maass, Nucleation on top of islands in epitaxial growth, Phys. Rev. B 62, 8338 (2000).

44. J. Rottler and P. Maass, Second Layer Nucleation in Thin Film Growth, Phys. Rev. Lett. 83, 3490 (1999).

45. J. Eriksson, J. Rottler, and C. T. Reimann, Fast-Ion-Induced Surface Tracks in Bioorganic Films, International Journal of Mass Spectrometry and Ion Processes 175, 293 (1998).

46. D. D. N. B. Daya, P. Demirev, J. Eriksson, A. Hallen, P. Hakansson, R. E. Johnson, J. Kopnitzki, R. M. Papaleo, C. T. Reimann, J. Rottler and B. U. R. Sundqvist , Interaction of MeV Atomic Ions with Molecular Solids: Ion Track structure and Sputtering Phenomena, Radiation Measurements 28, 101 (1997).

Book chapter

1. M. Karttunen, J. Rottler, I. Vattulainen and C. Sagui, Electrostatics in biomolecular simulations: Where are we now and where are we heading?, review chapter in "Computational Modeling of Membrane Bilayers", Editor: Scott Feller, Elsevier (2008).