2006
- Energetics of plastic bending of carbon
nanotubes
Hideki Mori, Shigenobu Ogata, Ju Li, Seiji Akita and Yoshikazu
Nakayama,
Phys. Rev. B 74 (2006) 165418.
- Encoding Electronic Structure Information in
Potentials for Multi-scale Simulations: SiO2,
Wuming Zhu, DeCarlos E. Taylor, Afaf R. Al-Derzi, Keith Runge, Samuel
B. Trickey, Ju Li, Ting Zhu and Sidney Yip,
Computational Materials Science 38 (2006) 340-349.
- Atomic scale chemo-mechanics of silica:
nano-rod deformation and water reaction,
Emilio C. C. M. Silva, Ju Li, Dongyi Liao, Sundar Subramanian, Ting
Zhu and Sidney Yip, Journal of Computer-Aided Materials Design
13 (2006) 135-159.
- Spectral method for thermal
conductivity calculations,
Ju Li, Journal of Computer-Aided Materials Design 12
(2005) 141-159.
- Theoretical assessment of the elastic
constants and hydrogen storage capacity of some metal-organic
framework materials,
Amit Samanta, Terumi Furuta and Ju Li, J. Chem. Phys.
125 (2006) 084714.
- Coverage dependence and
hydroperoxyl-mediated pathway of catalytic water formation on Pt (111)
surface,
Liang Qi, Jianguo Yu and Ju Li, J. Chem. Phys. 125
(2006) 054701.
- Yield Point of Metallic Glass,
Futoshi Shimizu, Shigenobu Ogata and Ju Li, Acta Mater.
54 (2006) 4293-4298.
- Undissociated screw dislocation in Si:
glide or shuffle-set?
Cai-Zhuang Wang, Ju Li, Kai-Ming Ho and Sidney Yip,
Applied Physics Letters 89 (2006) 051910.
- Molecularly based analysis of
deformation of spectrin network and human erythrocyte,
Ming Dao, Ju Li and Subra Suresh,
Materials Science and Engineering C 26 (2006)
1232-1244.
- Atomistic Simulation of Rapid
Compression of Fractured Silicon Carbide,
Antonino Romano, Ju Li and Sidney Yip, Journal of Nuclear
Materials 352 (2006) 22-28.
- Multiple Self-Localized Electronic States
in Trans-Polyacetylene,
Xi Lin, Ju Li, Clemens J. Forst and Sidney Yip,
Proc. Natl. Acad. Sci. USA
103 (2006) 8943-8946.
- Atomistic simulation of shear
localization in Cu-Zr bulk metallic glass,
Shigenobu Ogata, Futoshi Shimizu, Ju Li, Masato Wakeda and Yoji
Shibutani, Intermetallics 14 (2006) 1033-1037.
- A Perspective on Modeling
Materials in Extreme Environments: Oxidation of Ultrahigh-Temperature
Ceramics,
Angelo Bongiorno, Clemens J. Först, Rajiv K. Kalia, Ju Li, Jochen
Marschall, Aiichiro Nakano, Mark M. Opeka, Inna G.Talmy, Priya
Vashishta, and Sidney Yip, MRS Bulletin 31 (2006)
410-418.
- Atomistic characterization of
three-dimensional lattice trapping barriers to brittle
fracture,
Ting Zhu, Ju Li and Sidney Yip, Proceedings of the Royal Society
A 462 (2006) 1741-1761.
- Atomistic simulation of the influence of
pressure on dislocation nucleation in bcc Mo,
Dong-Sheng Xu, Rui Yang, Ju Li, Jin-Peng Chang, Hao Wang, Dong Li,
Sidney Yip,
Computational Materials Science 36 (2006) 60-64.
- Time-dependent density functional theory
with ultrasoft pseudopotentials: Real-time electron propagation across
a molecular junction,
Xiaofeng Qian, Ju Li, Xi Lin and S. Yip, Physical Review B
73 (2006) 035408.
- Molecular dynamics prediction of
the thermal resistance of solid-solid interfaces in
superlattices,
Alan J. H. McGaughey and Ju Li, ASME publications HTD (Heat Transfer
Division) vol. 377 (2006) part 1, pages 315-324.
Contribution to ASME International Mechanical Engineering Conference
and Exhibition, November 5-10, 2006, Chicago, USA.
IMECE2006-13590.
- Probing transport mechanisms in
nanofluids by molecular dynamics simulations,
Jacob Eapen, Ju Li and Sidney Yip, contribution to 7th ISHMT-ASME Heat
and Mass Transfer Conference at Indian Institute of Technology
Guwahati, January 4-6, 2006.
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