Submitted papers and papers in press

1. T. Ackbarow and M.J. Buehler, "Mechanistic strength model of alpha-helical protein domains over more than ten orders of magnitude time scales," in preparation
2. S. Keten and M.J. Buehler, "The strength limit of entropic elasticity in beta-sheet protein domains," in submission
3. M.J. Buehler, "Computational scale linking in biological protein materials", in submission
4. T. Ackbarow, M.J. Buehler, "Nanopatterned protein domains unify strength and robustness through hierarchical structures," in submission
5. A. Gautieri, M.J. Buehler, A. Redaelli, "Deformation rate controls elasticity and unfolding pathway of single tropocollagen molecules", accepted for publication in: Journal of the Mechanical Behavior of Biomedical Materials (link to paper...)
6. M.J. Buehler, S. Keten, T. Ackbarow, "Theoretical and computational hierarchical nanomechanics of protein
   materials: Deformation and fracture", Progress in Materials Science (in press, link to paper...)
7. S. Keten and M.J. Buehler, “Large deformation and fracture mechanics of a beta-helical protein nanotube: Atomistic and continuum modeling", Computer Methods in Applied Mechanics and Engineering (in press, link to paper...)
8. T. Ackbarow and M.J. Buehler, "Molecular mechanics of stutter defects in vimentin intermediate filaments", Experimental Mechanics (in press, link to paper...).
9. M.J. Buehler and T. Ackbarow, “Nanomechanical strength properties of hierarchical biological materials and tissues,” Computer Methods in Biomechanics and Biomedical Engineering (in press, link to paper...)
10. M.J. Buehler, “Rupture mechanics of vimentin intermediate filament tetramers”, Journal of Engineering Mechanics ASCE (link to paper...)

2008

1. M. Buehler, S. Keten, "Elasticity, strength and resilience: a comparative study on mechanical signatures of α-helix, β-sheet and tropocollagen domains", Nano Research Vol. 1(1), pp. 63-71, 2008 (link to paper...)
2. T. Ackbarow and M.J. Buehler, "Hierarchical coexistence of universality and diversity controls robustness and multi-functionality in protein materials ", Journal of Computational and Theoretical Nanoscience Vol. 5 (7), pp. 1193–1204, 2008 (link to paper...)
3. D. Sen and M.J. Buehler, “Crystal size controls deformation mechanism: Breakdown of dislocation mediated plasticity at nanoscale,” Physical Review B, Vol. 77, paper number 195439, 2008 (link to paper...)
4. S. Keten and M.J. Buehler, "Asymptotic strength limit of hydrogen bond assemblies in proteins at vanishing pulling rates", Physical Review Letters Vol. 100, paper number 198301 (link to paper...)
5. H. Zhang, T. Ackbarow, M.J. Buehler, “Muscle dystrophy single point mutation in the 2B segment of lamin A does not affect the mechanical properties at the dimer level”, J. Biomechanics Vol. 41(6) pp.1295-1301 (link to paper... ).
6. S. Keten and M.J. Buehler, “Geometric Confinement Governs the Rupture Strength of H-bond Assemblies at a Critical Length Scale”, Nano Letters, Vol. 8(2), 2008 (link to paper...)
7. N. Broedling, A. Hartmaier, M.J. Buehler and H. Gao, "The strength limit in a bio-inspired metallic nanocomposite", J. Mech. Phys. Solids, Vol. 56(3), pp. 1086-1104, 2008 (link to paper...)
8. M.J. Buehler, “Molecular architecture of collagen fibrils: A critical length scale for tough fibrils”, Current Applied Physics, Vol. 8(3-4), 2008, pp. 440-442 (link to paper...).
9. M.J. Buehler, “Nanomechanics of collagen fibrils under varying cross-link densities: Atomistic and continuum studies”, Journal of the Mechanical Behavior of Biomedical Materials ( link to paper...), Vol. 1, pp. 59-67, 2008
10. M.J. Buehler, A. Cohen, D. Sen, “Multi-paradigm modeling of fracture of a silicon single crystal under mode II shear loading”, Journal of Algorithms and Computational Technology, Vol. 2(2), pp. 203-221, 2008

2007

1. T. Ackbarow, X. Cheng, S. Keten and M.J. Buehler, "Hierarchies, multiple energy barriers and robustness govern the fracture mechanics of alpha-helical and beta-sheet protein domains ", Proc . Nat'l Academy of Sciences USA, Vol. 104(42), pp. 16410-16415, 2007 (cover article, link to paper..., EurekAlert! press release..., CEE News Item...).
2. M.J. Buehler. H. Tang, A. C.T. van Duin, W.A. Goddard III, "Threshold Crack Speed Controls Dynamical Fracture of Silicon
   Single Crystals", Physical Review Letters, Vol. 99, p. 165502, 2007 (link to paper...).
3. M.J. Buehler and T. Ackbarow, “Fracture mechanics of protein materials”, Materials Today, Vol. 10(9), pp. 46-58, 2007 (cover story, link to paper...).
4. M.J. Buehler and S.Y. Wong, " Entropic elasticity controls nanomechanics of single tropocollagen molecules", Biophys. J. Vol. 93(1), pp. 37-43, 2007 (link to paper).
5. T. Ackbarow and M.J. Buehler, “Superelasticity, energy dissipation and strain hardening of vimentin coiled-coil intermediate filaments”, J. Materials Science, Vol. 21(11), pp. 2855-2869, 2007 (link to paper...).
6. M.J. Buehler, “Nano- and micromechanical properties of hierarchical biological materials and tissues”, Journal of Materials Science, Vol. 21(11), pp. 8765-8770, 2007(link to paper...)
7. M.J. Buehler, "Defining nascent bone by the molecular nanomechanics of mineralized collagen fibrils", Nanotechnology, Vol. 18, paper number 295102, 2007 (link to paper...)
8. D. Sen and M.J. Buehler, “Simulating chemistry in mechanical deformation of metals,” International Journal for Multiscale Computational Engineering, Vol. 5(3-4), pp. 181-202, 2007
   
9. M.J. Buehler, "Hierarchical chemo-nanomechanics of proteins: Entropic elasticity, protein unfolding and molecular fracture", Journal of Mechanics of Materials and Structures, Vol. 2(6), pp. 1019-1057, 2007 (link to paper...)
10. W. Zhou, Y. Huang, B. Liu, K.C. Hwang, J.M. Zuo, M.J. Buehler, H. Gao , “Self Folding of Single- and Multi-Wall Carbon Nanotubes,” Applied Physics Letters, Vol. 90, paper number 073107, 2007
    

2006 and earlier

1. M.J. Buehler, "Nature designs tough collagen: Explaining the nanostructure of collagen fibrils", Proc . Nat'l Academy of Sciences USA, Vol. 103 (33), pp. 12285–12290, 2006 (link to paper..., press release text, link to article that has appeared in Materials Today, "Computer code cracks collagen", Vol. 9 (10), p. 10, 2006; link to article that has appeared in MRS Bulletin, "Model of Collagen Nanostructure Explains Its Strength", Vol. 31 (Nov. issue), pp. 850-851, 2006 (link to article...,MIT News Office Press Release ..., Article in MIT Tech Talk, Vol. 51, No. 9, 2006, p. 3, "Collagen unmasked" (link to article..), MedicalNews Today report "Math Model Could Aid Study Of Collagen Ailments" (link to article...), Science Daily press release "Math Model Could Aid Study Of Collagen Ailments"(link to article...))
   
2. M.J. Buehler , "Atomistic and continuum modeling of mechanical properties of Collagen: Elasticity, fracture and self-assembly", Journal of Materials Research , Vol. 21(8), pp. 1947-1961, 2006 (link to paper...).
   
3. M.J. Buehler, “Mesoscale modeling of mechanics of carbon nanotubes: Self-assembly, self-folding and fracture”,  Journal of Materials Research, in press (to appear 2006, link to paper...).
   
4. M.J. Buehler, "Mechanics of Protein Crystals: Atomistic Modeling of Elasticity and Fracture", Journal of Theoretical and Computational Nanotechnology, Vol. 3(5), pp. 670–683, 2006 (link to paper..., link to TOC...).
   
5. M.J. Buehler, “Large-scale hierarchical modeling of nanoscale, natural and biological materials” (cover article).  Journal of Computational and Theoretical Nanoscience, Vol. 3(5), pp. 603–623, 2006 (link to paper..., link to TOC..., copy of cover page...).
   
6. M.J. Buehler , H. Yao, B. Ji, H. Gao, "Cracking and adhesion at small scales: atomistic and continuum studies of flaw tolerant nanostructures", Modelling and Simulation in Materials Science and Engineering , Vol. 14, pp.799-816, 2006 (link to paper...).
   
7. M.J. Buehler , A.C.T. v. Duin, W.A. Goddard III, "Hybrid ReaxFF/Si-Tersoff modeling of dynamical crack propagation in silicon". Phys. Rev. Lett., March 10, p. 095505, 2006 (link to paper...).
   
8. M.J. Buehler , H. Gao. "Hyperelasticity governs dynamical crack tip instabilities". Nature , Vol. 439, pp. 307-310, 2006 (link to paper..., Max Planck Society press release, MIT News Office press release, PhysOrg.COM article, "Max Planck Research" article, Article that appeared in "Neue Zürcher Zeitung" (June 17), MRS Bulletin article, article that appeared in "Die Welt" (direct link to newspaper website, ScienceDaily, EurekAlert press release, MIT Technology Review article, CEE Newsletter April 2006, Article in "Bild der Wissenschaft" (September 2006, p. 14), Article that appeared in "GeoAktiv / Gmit", Vol. 25, Issue Sept. 2006, "Eine Theorie zur Ausbreitung von Rissen"" (in German))
   
9. M.J. Buehler , Jef Dodson, A.C.T. v. Duin, W.A. Goddard III, "The Computational Materials Design Facility (CMDF): A powerful framework for multiparadigm multi-scale simulations", Mat. Res. Soc. Proceedings (Combinatorial Methods and Informatics in Materials Science), Vol. 894, LL3.8, 2006 (link to paper...).
   
10. M.J. Buehler, Y. Kong and H. Gao. "Self-folding and unfolding of carbon nanotubes". Journal of Engineering Materials and Technology, Vol. 128 (1), pp. 3-10, 2006 (link to paper...).
    
11. A. Hartmaier, M.J. Buehler, and H.J. Gao, " Multiscale Modeling of Deformation in Polycrystalline Thin Metal Films on Substrates ". Advanced Engineering Materials, Vol. 7 (3), pp. 165-169, 2005 (link to paper...).
    
12. M.J. Buehler and H. Gao , "A mother-daughter-granddaughter mechanism of shear dominated intersonic crack motion along interfaces of dissimilar materials," Journal of the Chinese Institute of Engineers, Vol. 27(6), pp. 763-769, 2004.
    
13. M.J. Buehler and H. Gao, "Biegen und Brechen im Supercomputer". Physik in unserer Zeit , Vol. 35, no. 1, pp. 30-37, 2004 (link to article..., supplementary material and animations).
    
14. M.J. Buehler , A. Hartmaier, H. Gao, M. Duchaineaux, and F.F. Abraham, "Atomic Plasticity: Description and Analysis of a One-Billion Atom Simulation of Ductile Materials Failure". Computer Methods in Applied Mechanics and Engineering, Vol. 193(48-51), pp. 5257-5282, 2004 (link to paper...).
    
15. M.J. Buehler , B. Bettig, G. Parker, "Topology Optimization of Smart Structures". International Journal of Intelligent and Smart Structures, Vol. 15 (8), pp.655-667, 2004 (link to paper...).
    
16. H. Gao, B. Ji, M.J. Buehler and H. Yao, "Flaw tolerant bulk and surface nanostructures of biological systems". Mechanics and Chemistry of Biosystems , Vol. 1, No. 1, pp. 37-52, 2004 (link to paper...).
    
17. M.J. Buehler , A. Hartmaier, H. Gao. "Hierarchical multi-scale modeling of plasticity of submicron thin metal films". Modeling Simulation Mat. Sci. Eng. Vol. 12, pp. 391-413, 2004 (link to paper...).
    
18. M.J. Buehler, F.F. Abraham, H. Gao, "Hyperelasticity governs dynamic fracture at a critical length scale". Nature , Vol. 426, pp. 141-146, 2003 (link to paper..., Max Planck Society press release (PDF version), EurekAlert press release).
    
19. M.J. Buehler , H. Gao, Y. Huang, "Continuum and Atomistic Studies of Suddenly Stopping Supersonic Cracks". Computational Materials Science , Vol. 28, no. 3-4, pp. 385-408, 2003 (link to paper...).
    
20. M.J. Buehler , B. Bettig, G. Parker, "Homogenization of Smart Material Cells for Finite Element Simulations". Communications in Numerical Methods in Engineering , Vol. 19, pp. 977–989, 2003 (link to paper...).