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Roopam Khare

Ph.D. Student

TAM Lab

Department of Mechanical Engineering

Northwestern University

E-mail: r-khare@northwestern.edu


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  1. Education
  2. Research
  3. Publications
  4. Interests
  5. Pics

Education

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Research

I work on the fracture studies of Carbon Nanotubes and Graphene sheets using Quantum Mechanics/ Molecular Mechanics/Continuum Mechanics methods with my advisor Prof. Ted Belytschko and collaborators Dr. S. L. Mielke, Prof. G. C. Schatz and Prof. S. Zhang.

 

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Publications

1. R. Khare, S. L. Mielke, J. T. Paci, G. C. Schatz, and T. Belytschko. A simple energy-scaling scheme for fine-tuning empirical potentials for coupled quantum mechanical/molecular mechanical studies. Submitted to Chemical Physics Letters.

 

2. R. Khare, S. L. Mielke, G. C. Schatz, and T. Belytschko. Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes. Accepted in Computer Methods in Applied Mechanics and Engineering.

                        3. S. L. Mielke, S. Zhang, R. Khare, R. S. Ruoff, G. C. Schatz, and  T. Belytschko. The effects of extensive pitting on the mechanical properties of carbon nanotubes.  Chemical Physics Letters 446, 128-132, 2007.

4.  R. Khare, S. L. Mielke, J. T. Paci, S. Zhang, G. C. Schatz, and  T. Belytschko. Two quantum mehcanical/ molecular mechanical coupling schemes appropriate  for fracture mechanics studies. AIAA-2007-2071.

5.  R. Khare, S. L. Mielke, J. T. Paci, S. Zhang, G. C. Schatz, and T. Belytschko. Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets. Physical Review B, 75, 075412, 2007.

6.  S. Zhang, R. Khare, Q. Lu, and T. Belytschko. A Bridging domain and strain computation method for coupled atomistic-continuum modeling of solids.

 International Journal for Numerical Methods in Engineering, 70, 913-933, 2007.

7.  S. Zhang, R. Khare, T. Belytshcko, K. J. Hsia, S. L. Mielke, and G. Schatz. Transition states and minimum energy pathways for the collapse of carbon nanotubes. Physical Review B, 73, 075423, 2006 .

             8.  S. Zhang, S. L. Mielke, R. Khare, D. Troya, R. S. Ruoff, G. C. Schatz, and T. Belytschko. Mechanics of defects in carbon nanotubes: atomistic and multiscale simulations. Physical Review B, 71, 115403,  2005.

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Interests

1. Movies

2. Cricket and NBA

3. RJing for Lotus Beat

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last update 10/10/07

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