Dr. Qing Peng

Department of Mechanical, Aerospace and Nuclear Engineering

Rensselaer Polytechnic Institute, USA

Email: qpeng.org@gmail.com (preferred), pengq3@rpi.edu

Qualifications

2005, Ph.D., Physics, University of Connecitcut, USA

2000, M.S., Physics, State University of New York at Binghamton, USA

1998, B.S., physics, Peking University, China

Research Fields

Multiscale modeling (algorithm and applications)

Nonlinear mechanics of Nanomaterials and low-dimentional (2D) materials

Radiation damage, mecahnics of nuclear materials

Mechanics of Energetic materials

Publications (selected)

1. Q. Peng*, L. Han, J. Lian, X. Wen, S. Liu, Z. Chen, N. Koratkar, and S. De, "Mechanical Degradation of Graphene by Epoxidation: Insight from First-principles Calculations" Physical Chemistry Chemical Physics, (2015), 17, 19484 - 19490 | [DOI: 10.1039/C5CP02986D] | [local PDF] | ( IF=4.493 )
2. Q. Peng*, Rahul, G. Wang, G. R. Liu, S. Grimme, and S. De, "Predicting Elastic Properties of beta-HMX from First-principles calculations" The Journal of Physical Chemistry B,(2015), 119, 5896--5903 | [DOI: 10.1021/acs.jpcb.5b00083] | [online] | [local PDF]
3. Q. Peng*, A. K. Dearden, X. Chen, C. Huang, X. Wen, and S. De, "Peculiar pressure effect on Poisson ratio of graphone as a strain damper" Nanoscale,(2015), 7, 9975--9979, | [DOI: 10.1039/C4NR07665F] | [online] | [local PDF] | ( IF=7.394 )
4. Q. Peng*, Z. Chen and S. De, "A density functional theory study of the mechanical properties of graphane with van der Waals corrections", Mechanics of Advanced Materials and Structures (2015), 22, 717--721 | [DOI:10.1080/15376494.2013.839067] | [online] | [local PDF] | [bibtex]
5. Q. Peng*, L. Han, X. Wen, S. Liu, Z. Chen, J. Lian, and S. De, "Mechanical properties and stabilities of alpha-Boron monolayers" Physical Chemistry Chemical Physics, (2015), 17(3), 2160 - 2168 | [DOI: 10.1039/C4CP04050C] | [online] | [local PDF] | ( IF=4.493 ).
6. Q. Peng* and S. De, "Elastic limits of silicane", Nanoscale,(2014), 6, 12071--12079 | [DOI: 10.1039/C4NR01831A] | [online] | [local PDF] | [bibtex] | ( IF=7.394 ) .
7. Q. Peng*, Rahul, G. Wang, G.R. Liu, and S. De, "Structures, Mechanical Properties, Equations of State, and Electronic Properties of β-HMX under Hydrostatic Pressures: A DFT-D2 study", Physical Chemistry Chemical Physics, (2014), 16, 19972--19983. | [DOI:10.1039/C4CP02193B] | [online] | [local PDF] | [bibtex] | ( IF=4.493 ).
8. Q. Peng*, W. Ji, J. Lian, X. Chen, H. Huang, F. Gao, and S. De, "Pressure effect on stabilities of self-Interstitials in HCP-Zirconium", Scientific Reports, (2014) 4, 5735. | [online (open access)] | [local PDF] | [DOI:10.1038/srep05735] | [bibtex] | ( IF=5.578 )
9. Q. Peng* and S. De, "Outstanding mechanical properties of monolayer MoS2 and its application in elastic energy storage", Physical Chemistry Chemical Physics, (2013), 15, 19427--19437. | [DOI:10.1039/C3CP52879K] | [online] | [local PDF] | ( IF=4.493 )
10. Y. Sun, Q. Peng, and G. Lu, "Quantum mechanical modeling of hydrogen assisted cracking in aluminum", Physical Review B, 88, 104109 (2013). | [DOI:10.1103/PhysRevB.88.104109] | [online] | [local PDF]
11. Q. Peng*, X. Chen, W. Ji and S. De, "Chemically Tunning Mechanics of Graphene by BN", Advanced Engineering Materials, (2013), 15, 718--727. | [DOI:10.1002/adem.201300033] | [online] | [local PDF]
12. Q. Peng*, X. Wen, and S. De, "Mechanical stabilities of silicene", RSC Advances, (2013), 3, 13772--13781. | [DOI:10.1039/C3RA41347K] | [online] | [local PDF] | [bibtex]
13. Q. Peng*, C. Liang, W. Ji, and S. De, "A First-principles Study of the Mechanical Properties of g-GeC", Mechanics of Materials, (2013) 64 135--141. | [DOI:10.1016/j.mechmat.2013.05.009] | [online] | [local PDF] |
14. Q. Peng*, C. Liang, W. Ji, and S. De, "A Theoretical Analysis of the Effect of the Hydrogenation of Graphene to Graphane on Its Mechanical Properties", Physical Chemistry Chemical Physics, 15, 2003--2011 (2013). | [DOI:10.1039/C2CP43360E] | [online] | [local PDF] | ( IF=4.493 )
15. Q. Peng*, W. Ji, and S. De, "First-Principles study of the Effects of Mechanical Strains on the Radiation Hardness of Hexagonal Boron Nitride Monolayers", Nanoscale,5,695--703 (2013), | [DOI:10.1039/C2NR32366D] | [online] | [local PDF] | [bibtex] | ( IF=7.394 )
16. Q. Peng*, A. Zamiri, W. Ji and S. De, "Elastic Properties of Hybrid Graphene/Boron Nitride Monolayer", Acta Mechanica, 223, 2591--2596 (2012) | [DOI:10.1007/s00707-012-0714-0] | [online] | [local PDF] |
17. Q. Peng*, W. Ji and S. De, "Mechanical Properties of Graphyne Monolayer: A First-Principles Study", Physical Chemistry Chemical Physics, 14, 13385-13391 (2012). | [DOI:10.1039/C2CP42387A] | [online] | [local PDF] | ( IF=4.493 )
18. Q. Peng*, W. Ji, H. Huang and S. De, "Stability of Self-interstitials in hcp-Zr", Journal of Nuclear Materials, 429, 233--236 (2012). | [DOI:10.1016/j.jnucmat.2012.06.010] | [online] | [local PDF] |
19. Q. Peng*, W. Ji and S. De, "Mechanical Properties of the Hexagonal Boron Nitride Monolayer: ab initio Study", Computational Materials Science, 56, 11--17 (2012) | [DOI:10.1016/j.commatsci.2011.12.029] | [online] | [local PDF] |  [Most Cited Computational Materials Science Articles] | [screen snapshot]
20. Q. Peng* and S. De, "Tunable Band Gaps of Mono-layer Hexagonal BNC Heterostructures", Physica E: Low-dimensional Systems and Nanostructures, 44, 1662--1666 (2012) | [DOI:10.1016/j.physe.2012.04.011] | [online] | [local PDF]
21. Q. Peng* and R. E. Cohen, "Origin of Pyroelectricity in LiNbO3", Physical Review B, 83, 220103(R) (2011) | [DOI:10.1103/PhysRevB.83.220103] | [online]
22. Q. Peng* and G. Lu, "A comparative study of fracture in Al: quantum mechanical vs. empirical atomistic description", Journal of the Mechanics and Physics of Solids, 59, 775 (2011) | [DOI:10.1016/j.jmps.2011.01.008] | [online] | [local PDF] | [" Featured Articles " in "Advances In Engineering"] | ( IF=4.289 ).
23. Q. Peng*, X. Zhang, C. Huang, E. A. Carter and G. Lu, "Quantum Mechanical Study of Solid Solution Effects on Dislocation Nucleation During Nanoindentation", Modelling and Simulation in Materials Science and Engineering, 18, 075003 (2010) | [DOI:10.1088/0965-0393/18/7/075003] | [online] | [local PDF]
24. Q. Peng, X. Zhang, L. Hung, E. A. Carter, and G. Lu, "Quantum Simulation of Materials at Micron Scales and Beyond," Physical Review B, 78, 054118 (2008). | [DOI:10.1103/PhysRevB.78.054118] | [online] | [local PDF] | | [selected as "PRB Editors Suggestions"]
25. M. Utz, Q. Peng, M. Nandagopal, Athermal Simulation of Plastic Deformation in amorphous Solids at Constant Pressure, Journal of Polymer Science Part B: Polymer Physics, 42, 2057-2065 (2004) | [DOI:10.1002/polb.20092] | [online] | [local PDF]

Profile Details

http://qpeng.org