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Chenyu Zou, Ph.D.

Affiliations: 
2014 Pennsylvania State University, State College, PA, United States 
Area:
Mechanical Engineering
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"Chenyu Zou"
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Adri v. Duin grad student 2014 Penn State
 (Development and application of the Reaxff potential for heterogeneous catalysis and metal oxidation: Toward the dynamic sampling of large free energy surface.)

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Publications

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Islam MM, Zou C, van Duin AC, et al. (2015) Interactions of hydrogen with the iron and iron carbide interfaces: a ReaxFF molecular dynamics study. Physical Chemistry Chemical Physics : Pccp
Tavazza F, Senftle TP, Zou C, et al. (2015) Molecular dynamics investigation of the effects of tip-substrate interactions during nanoindentation Journal of Physical Chemistry C. 119: 13580-13589
Zou C, Shin YK, Van Duin ACT, et al. (2015) Molecular dynamics simulations of the effects of vacancies on nickel self-diffusion, oxygen diffusion and oxidation initiation in nickel, using the ReaxFF reactive force field Acta Materialia. 83: 102-112
Zou C, Raman S, van Duin AC. (2014) Large-scale reactive molecular dynamics simulation and kinetic modeling of high-temperature pyrolysis of the Gloeocapsomorphaprisca microfossils. The Journal of Physical Chemistry. B. 118: 6302-15
Liang T, Shin YK, Cheng YT, et al. (2013) Reactive potentials for advanced atomistic simulations Annual Review of Materials Research. 43: 109-129
Zou C, Van Duin A. (2012) Investigation of complex iron surface catalytic chemistry using the ReaxFF reactive force field method Jom. 64: 1426-1437
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