Mechanical properties of nanostructured materials determined through molecular modeling techniques

Collection of Technical Papers - AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference

Volumn 1, Issue , 2005, Pages 607-622

  Clancy, Thomas C ^a,b   Gates, Thomas S ^a,c,d  

^a NASA LANGLEY RESEARCH CENTER   (United States)

^b NATIONAL INSTITUTE OF AEROSPACE   (United States)

^c Mechanics of Structures and Materials Branch   (United States)

^d AIAA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AEROSPACE APPLICATIONS; CHEMICAL BONDS; MATHEMATICAL MODELS; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; NANOTUBES;

LOAD TRANSFER MECHANISMS; MOLECULAR MODELING; POLYMER MATRIX; POLYMER STRUCTURE;

NANOSTRUCTURED MATERIALS;

EID: 28844474527     PISSN: 02734508     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.2514/6.2005-1852     Document Type: Conference Paper

References (9)

1. Odegard, G.M., Gates, T.S., Nicholson, L.M. and Wise, K.E., "Equivalent-Continuum Modeling of Nano-Structured Materials," Composites Science and Technology, Vol. 62, 2002, pp. 1869-1880.
2. Stevens, J.L., Huang, A.Y., Peng, H., Chiang, I.W., Khabashesku, V.N., Margrave, J.L., "Sidewall Amino-Functionalization of Single-Walled Carbon Nanotubes Through Fluorination and Subsequent Reactions with Terminal Diamines," Nanoletters, Vol. 3, No. 3, 2003, pp. 331-336.
3. Zhu, J., Kim, J., Peng, H., Margrave, J.L., Khabashesku, V.N., Barrera, E.V., "Improving the Dispersion and Integration of Single-Walled Carbon Nanotubes in Epoxy Composites Through Functionalization," Nanoletters, Vol. 3, No. 8, 2003, pp. 1107-113.
4. Yarovsky, I., Evans, E., "Computer Simulation of Structure and Properties of Crosslinked Polymers: Application to Epoxy Resins," Polymer, Vol. 43, 2003, pp. 963-969.
5. Cornell, W.D., Cieplak, P., Bayly, C.I., Gould, I.R., Merz, K.M., Ferguson, D.M., Spellmeyer, D.C., Fox, T., Caldwell, J.W., Kollman, P.A., "A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules," J. Am. Chem. Soc., Vol. 117, 1995, pp. 5179-5197.
6. TINKER - Software Tools for Molecular Design, Ver. 4.2, Washington University School of Medicine, St. Louis, MO, 2004.
7. Plimpton, S.J. "Fast Parallel Algorithms for Short-Range Molecular Dynamics," J. Comp. Phys., Vol. 117, 1995, pp. 1-19., http://www.cs.sandia. gov/~sjplimp/lammps.html
8. Allen, M.P., Tildesley, D.J., Computer Simulation of Liquids, Oxford University Press, New York, 1987, Chap. 1.
9. Theodorou, D.N., Suter, U.W., "Atomistic Modeling of Mechanical Properties of Polymeric Glasses," Macromolecules, 1986, Vol. 19, pp. 139-154.