Qing Peng Web : http://qpeng.org Dr. Qing Peng Department of Mechanical, Aerospace and Gmail: qpeng.org@gmail.com Email: pengq3@rpi.edu Nuclear Engineering Skype: (518) 279-6669 Rensselaer Polytechnic Institute Cell : (518) 512-6861 110 8th Street, CII-8015 Fax : (518) 276-6025 Troy, NY 12180, U.S.A. Education Professional Activities University of Connecticut, Storrs, CT PhD, Physics (Materials Simulation), Dec 2005 (Adviser: Dr. Marcel Utz) MS, Physics, Aug 2003 State University of New York Binghamton, MS, Physics (Fluid Mechanics), 2000 (Adviser: Dr. Eric Cotts) Peking University, BS, Physics (Nuclear Science and Technology), 1998 • Editorial Board: “Modeling and Numerical Simulation of Mater. Sci.” • Editorial Board: “Dataset Papers in Nanotechnology” • Reviewer (27 journals): “Nature communications”, “Nanoscale”, “J. Mater. Chem”, “Carbon”, “Phys. Rev. B”, “Phys. Chem. Chem. Phys.”, “J. Appl. Phys.”, “J. Phys. Chem.”, “RSC Adv.”, “Modelling Simul. Mater. Sci. Eng.”, “Comput. Mater. Sci.”, “J. Elasticity”, “NANO”, “J. Phys.:Condens. Matter”, “J. Phys. D”, “J. Electron. Mater.”, “Phys. E”, “Acta Mater.”, “Front. Phys”, “IEEE Photonics J.”, “Sci. Adv. Mater.”, “Superlattice. Microst.”, “Mater. Lett.”, “Adv. Condens. Matter Phys.”, “Mod. Phys. Lett. B”, “IEEE J. Quantum Electronics”, “J. Mol. Graph.” • Expert evaluator of the research programs funded by the Romanian Government through the National Council for Scientific Research. • Expert evaluator of Romanian funding programs for research led by the National Council for Research and Development. Conference Chair • American Physical Society (APS) march meeting 2013: Session G11: invited session: Concurrent Multi-Length Scale Modeling • 12th US National Congress on Computational Mechanics (USNCCM12) Symposium: Concurrent Multi-Length Scale Modeling: from Finite Elements to Atoms and Electrons (http://12.usnccm.org/MS4 9) • Asia Pacific Congress on Computational Mechanics (APCOM) 2013: Multiscale modelling and simulations: from quantum to continuum (http://www.apcom2013.org/topics–minisymposia.html) Professional Affiliations • American Physical Society (APS) • Materials Research Society (MRS) • Optical Society of America (OSA) • United States Association for Computational Mechanics (USACM) Citizenship Residence P.R. China • U.S. Permanent resident (EB1:Outstanding researcher) • Canada Permanent resident Current Research Postdoctoral Associate Rensselaer Polytechnic Institute Advisor:Dr. Suvranu De Jan 2011 – present (1) Multiscale modeling (applications of QCDFT) on hydrogen embrittlement, radiation hardening, solid solution strengthening, radiation induced segregation, shear, wear, crack and corrosion of metals, especially Zr, Fe, Cu, Al, Mg; self-healing of materials after damage, such as irradiation damage and mechanical fail at high stress/strain; radiation effects on Si-based memristive devices, nano-conjunctions and interfaces; fast pipe diffusion in plasmonic metals via first-principles calculations, stabilities, diffusion and migration energies of point defects; efficiency enhancement of plasmonic solar cell by optimizing size, shape, components, layer of metal nano-particles. (2) ab initio Modeling of Controlled Radiation Damage of 2D atomic crystals, such as graphene, h-BN, h-BNC, graphane, SiC, SiGe, MoS2, NbSe2, Bi2Sr2CaCu2Ox and ZnO, on electrical, thermal and mechanical properties; Surface/interface of graphene with metals and/or oxidizes, the strain, defects, diffusion and transportations; (3) ab initio molecular dynamics study of elastic properties, equation of states, radiation damage process, crystal plasticity, impurities/vacancies diffusion and migration. (4) Developing a novel multiscale QM-MD-SPH computational method for heterogeneous multicomponent reactive systems; Study the mechanical properties, equation of states, instabilities, chemical kinetics of energetic materials. (5) Multiscale modeling and simulation the mechanics of deformation and failure of biological materials, from the atomistic (chemistry, molecular) scale up to the overall structural scale (material, tissue). Previous Research Experience Postdoctoral Associate Indiana Univ. Purdue Univ. Indianapolis Advisor:Dr Guofeng Wang Jan 2010 – Dec 2010 (1)Researched in lithium-ion rechargeable batteries, especially the chemical and physical procedure on Solid electrolyte interface (SEI), which plays a critical role in the Li-ion batteries performance, including cycle life, self-discharge, safety faradaic efficiency and irreversible capacity. (2)Conducted theoretical computations to understand and develop Pt alloy catalysts for advancing renewable energy technology. Postdoctoral Associate California State Univ. Northridge Advisor:Dr. Gang Lu Jan 2007 – Jan 2010 Developed a multiscale method named QCDFT:Quasi-Continuum Density Functional Theory, which is based entirely on density functional theory (DFT) and allows quantum simulations of materials properties of a large system with billions of atoms. QCDFT method had been successfully applied to study the nano-indentation, crack, dislocation of metals and impurities at length scales that are relevant to experiments. Postdoc Carnegie Institute of Washington Advisor:Dr Ronald E. Cohen Jan 2006 – Dec 2006 Research in Ferroelectrics by first principles calculations and molecular dynamics simulations. The pyroelectric coefficients of LiNbO3 are studied. ABINIT are used for ab initio calculations and DLPOLY for MD simulations. Fitted the potential for MD simulations from the ab initio calculations. Coded the programs that fit the force field for MD simulation from the first principle calculations. University of Connecticut,storrs Aug 2000 – Dec 2005 (1) Research in computer simulations of plastic deformation of polymer glasses supervised by Dr. Marcel Utz. Investigation of new approach to study localization phenomenon based on 3D Delaunay Tessellation and FFT technique. Investigated athermal simulation of plastic deformation in amorphous solids at constant pressure. Coded programs for Molecular Dynamic and Monte Carlo simulations of polymers. (2) Conducted experimental and theoretical research on the near field diffraction of short pulse laser and quantum beat under the guidance of Dr. Chandra Roychoudhuri. Studied the dispersion of wavelength-division multiplexing (WDM) in fiber-optics communications. (3) Facilitated experimental research on Laser Cooling and Trapping guided by Dr. Edward Eyler. Designed and built a constant-temperature diode laser system for experiments. Research Assistant Research Assistant Binghamton University SUNY Advisor:Dr. Eric Cotts Aug 1998 – Aug 2000 Carried experimental research on the dense suspension flow on inhomogeneous surface for under-fill flip-chip electronics packing. Qing Peng TEACHING EXPERIENCE Teaching Assistant Storrs, CT University of Connecticut 2002 – 2005 (1) PHYS155: Introduction to Astronomy. Instructed the laboratory work and observations for three semesters. Created and maintained course website, held weekly office hours and graded homework and quizzes, mid-term exams and finals. Supervised by Dr. Cynthia Peterson. (2) Conducted discussion sections for all fields all grades of undergraduate students in the Physics Learning Resource Center. Supervised by Dr. Carolina Artacho-Guerra. (3) Mentor of new teaching assistants to share teaching experiences in International Teaching Assistant Program (ITAP) of UCONN (summer, 2004). Supervised by Dr. Catherine Ross. (4) Instructed Research Undergraduate (RU) students in research of material simulation (summer,2003). (5) Instructed Advanced High School students in research of Optics/Lasers in Photonics lab (summer, 2002). Mentoring Undergraduate RPI Troy, NY 2011 – present (1) Jared Crean : learning about Molecular Dynamics and using LAMMPS to perform Molecular Dynamics simulations; generated a large sheet of graphene suitable for further experimentation; simulated graphene with both the Tersoff potentials and the AIREBO potential and the AIREBO potential provided better results for the components of the elastic constant not in the direction of the applied deformation; A few simulations were done at various temperatures. (2) Nomita Vazirani: learning about Molecular Dynamics and using LAMMPS to perform Molecular Dynamics simulations, especially the elastic constants of metals (Al, Cu, Au, Zr) at finite temperatures. (3) Francis Lam: MD simulations of graphene with polymers, especially PMMA; study the enhancement of the mechanical properties by the graphene or carbon nanotubes. (4) Chenguang Wen: learning about Molecular Dynamics and using LAMMPS to perform Molecular Dynamics simulations. Mentoring Graduate students RPI Troy, NY 2012 – present (1) Chao Liang : learning first-principles calculations; study the mechanics of 2D materials, especially the non-linear elastic properties, high order elastic constants. (2) Liang Han: MD simulations of graphene, h-BN, graphyne for their mechanical and thermal properties. Software Packages • “QCDFT”, Quasi-Continuum Density Functional Theory, a concurrent multiscale method with full density functional theory calculations on macro scale. The package is coded in F90 about 8M since 2007, and it is still in development for various applications. • “POTFIT DLPOLY” is a DFT MD program that fits the force field for Molecular Dynamics simulations (DL POLY package) from first-principles DFT calculations. It is coded in Fortran, as a part of my postdoctoral research project in Carnegie Institute of Washington under the guidance of Dr. Ronald Cohen. • “ClassicalDynamic” is a simulation package with classical Molecular Dynamics and Monte Carlo simulations by my PhD advisor Dr Marcel Utz. I coded the three-Dimensional Delaunay Tessellation for complex polymers systems applying domain decomposition and random precision techniques (coded in C++/C). Qing Peng Publications (Total 40; H-index: 9; Citations: 317 –by Google Scholar[August 5, 2014]) ResearcherID: F-4246-2010 ; ORCID:0000-0002-8281-8636 Refereed Journal Articles (Average Impact Factor: IF= 2.832) * 29 of 34 are first- and corresponding authored (1) Q. Peng* and S. De, “Elastic limit of silicane”, Nanoscale, Advanced article, (2014) DOI: 10.1039/C4NR01831A. (IF=6.739) (2) 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), Article ASAP, DOI:10.1039/C4CP02193B. (IF=4.198) (3) 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, 4, 5735 (2014). (IF=5.078) (4) Q. Peng* , A. Dearden, J. Crean, Y. Xu, S. Liu, C. Huang, X. Wen, and S. De, “New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology”, Nanotechnology, Science and Applications, 7, 1–29 (2014). (Editor Invited Review) (5) C. Huang, F. Libisch, Q. Peng, and E.A. Carter, “Time-dependent potential functional embedding theory”, The Journal of Chemical Physics, 140, 124113 (2014). (6) Q. Peng* and S. De, “Mechanical properties and instabilities of ordered graphene oxide C6O monolayers”, RSC Advances, 3, 23447–24344 (2013). (7) Y. Sun, Q. Peng, and G. Lu, “Quantum Mechanical Modeling of Hydrogen Assisted Cracking in Aluminum”, Physical Review B, 88 104109 (2013). (8) Q. Peng* and S. De, “Outstanding mechanical properties of monolayer MoS2 and its application in elastic energy storage”, Physical Chemistry Chemical Physics, 15, 19427–19437 (2013). (IF=4.198) (9) Q. Peng* , J. Crean, A. Dearden, C. Huang, X. Wen, S. P. A. Bordas, and S. De, “Defect engineering of 2D monatonic-layer materials”, Modern Physics Letters B, 27, 1330017 (2013). (Editor Invited Review) (10) 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, (2013), Articles ASAP, DOI: 10.1080/15376494.2013.839067. (11) Q. Peng* , X. Wen and S. De, “Mechanical stabilities of silicene”, RCS Advances, 3, 13772–13781 (2013). (12) Q. Peng* , C. Liang, W. Ji and S. De, “Mechanical Properties of gGaN: A First Principles Study”, Applied Physics A, 113, 483–490 (2013). (13) Q. Peng* , W. Ji and S. De, “Chemically Tuning Mechanics of Graphene by BN”, Advanced Engineering Materials, 15, 718–727 (2013). (14) Q. Peng* , C. Liang, W. Ji and S. De, “A First-principles Study of the Mechanical Properties of g-GeC”, Mechanics of Materials, 64, 135–141 (2013). (15) Q. Peng* , X. Chen, S. Liu and S. De, “Mechanical Stabilities and Properties of Graphene-like Aluminum Nitride Predicted from First-principles Calculations”, RCS Advances, 3, 7083–7092 (2013). (16) Q. Peng* , W. Ji, H. Huang and S. De, “Axial Ratio Dependence of the Stability of Self-Interstitials in HCP Structures”, Journal of Nuclear Materials, 437, 293–296 (2013). (17) 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). (IF=4.198). (18) Q. Peng* , W. Ji and S. De, “Strain Effect on Radiation Hardness: A First-Principles Study of the Hexagonal Boron Nitride Monolayer”, Nanoscale 5,695–703 (2013). (IF=6.739). (19) Q. Peng* , C. Liang, W. Ji and S. De, “A First Principles Investigation of the Mechanical Properties of g-ZnO: the Graphene-like Hexagonal Zinc Oxide Monolayer”, Computational Materials Science, 68, 320–324 (2013). (20) Q. Peng* , C. Liang, W. Ji, and S. De, “A First Principles Investigation of Mechanical Properties of g-TlN”, Modeling and Numerical Simulation of Material Science, 2, 76–84 (2012). (21) Q. Peng* , A. R. Zamiri, W. Ji, and S. De, “Elastic Properties of Hybrid Graphene/Boron Nitride Monolayer”, Acta Mechanica, 223, 2591–2596 (2012). (22) Q. Peng* , W. Ji, and S. De, “Mechanical Properties of Graphyne Monolayer: A First-Principles Study”, Physical Chemistry Chemical Physics, 14, 13385–13391 (2012). (IF=4.198) (23) Q. Peng* , W. Ji, H. Huang and S. De, “Stability of Self-interstitials in hcp-Zr”, J. Nucl. Mater., Journal of Nuclear Materials, 49, 233–236, (2012) (24) Q. Peng* , W. Ji and S. De, “Mechanical Properties of the Hexagonal Boron Nitride Monolayer: ab initio Study”. Computational Materials Science, 56, 11 (2012). (25) 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). (26) Q. Peng* and R. E. Cohen, “Origin of Pyroelectricity in LiNbO3”. Physical Review B, 83, 220103(R) (2011). (Rapid Communications) (27) 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, 775–786 (2011). (“Featured Articles” in Advances In Engineering) (IF=4.289), (28) Y. Zhao, C. Wang, Q. Peng and G. Lu, “Error Analysis and Applications of a General QM/MM Approach”, Computational Materials Science, 50, 714 (2010). (29) X. Zhang, Q. Peng and G. Lu, “Self-consistent embedding quantum mechanics/molecular mechanics method with applications to metals.”, Physical Review B, 82, 134120 (2010). (30) 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). (31) Q. Peng* , X. Zhang and G. Lu, “Structure, mechanical and thermodynamic stability of vacancy clusters in Cu”, Modelling and Simulation in Materials Science and Engineering, 18, 055009 (2010). (32) Q. Peng* , X. Zhang, and G. Lu, “ Quantum mechanical simulations of nanoindentation of Al thin film”, Computational Materials Science, 47, 769 (2010) (33) 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). (Editors’ Suggestion) (34) M. Utz, Q. Peng and 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). Peer-reviewed Conference Proceedings (full paper) (4) (1) Q. Peng and S. De, “A first-principles investigation of the equation of states and molecular hot spots of β-cyclotetramethylene tetranitramine (HMX)”, 15th International Detonation Symposium Location: San Francisco, CA, 2014 (2) Q. Peng, M. A. Barootkoob, C. Roychoudhuri, “What can we learn by differentiating between the physical processes behind interference and diffraction phenomena?”, Proceedings of SPIE, 7421, 74210B (2009). (DOI: 10.1117/12.828572) [PDF] (3) G. Lu, Q. Peng, X. Zhang, L. Hung and E. A. Carter, Oberwolfach Reports, Volume 5, Issue 2, 1117 (2008) [PDF] (4) C. Roychoudhuri, N. S. Prasad and Q. Peng, “ Can the hypothesis ’photon interferes only with itself’ be reconciled with superposition of light from multiple beams or sources? Proceedings of SPIE, 6664, 66640S (2007). (DOI: 10.1117/12.734363) [online] [PDF] Books and/or Book Chapters (2) (1) Q. Peng, “First-Principles Quantum Simulations”, in book “Nanoindentation in Materials Science”, edited by Jiri Nemecek. (2012) InTechOpen, Australia. ISBN 980-953-307-282-6 (http://www.intechopen.com/books/nanoindentationin-materials-science). (2) Q. Peng * and S. De, “Mechanical stabilities and properties of graphene, and its modification by BN predicted from first-principles calculations”, in book “Graphene Science Handbook”, Vol 4 “Mechanical and Chemical Properties”, edited by Z.A. Niknam. (2014) CRC Press/Taylor & Francis. Presentations (Total 43) Invited Seminar Talks (16) (1) “Computational Study of Localization of Plastic Shear Events in Glassy Materials”, Nov 17, 2005, Geophysics Lab, Carnegie Institution of Washington, DC, USA. (2) “Computational Study of Localization of Plastic Shear Events in Glassy Materials”, Mar 20, 2006, Computational Materials Science Center in George Mason University, Fairfax, VA, USA [http://www.cmasc.gmu.edu/seminar/abstracts/peng.txt] (3) “Materials strength at nanoscale - nanoindentation”, May 17, 2008, Science Workshop for High School Teachers, California State University Northridge. (4) “QCDFT:Quasi-Continuum Density Functional Theory”, Sept 14, 2009, Aerospace Engineering and Mechanics, University of Minnesota, Minneapolis, MN, USA. (5) “QCDFT:Quasi-Continuum Density Functional Theory”, Sept 27, 2009, Department of Materials Science and Engineering, University of California, Los Angeles, CA, USA. (6) “Origin of pyroelectricity in LiNbO3”, Nov 6, 2009, Geophysics Lab, Carnegie Institution of Washington, DC, USA. (7) “QCDFT:Quasi-Continuum Density Functional Theory”, Oct 8, 2010, Department of Chemistry and Chemical Biology, Indiana University-Purdue University Indianapolis, Indianapolis, IN, USA. (8) “Quantum simulations of materials at large scale: from finite elements to electrons by QCDFT”,Qing Peng, Feb 15, 2012. West Virginia University, Morgantown, WV. (9) “Quantum simulations of materials at large scale by QCDFT”,Qing Peng, Sept 27, 2012. Cardiff School of Engineering, Cardiff University, Cardiff, UK. (10) “Quantum Simulations of Materials at Large Scale: from Finite Elements to Electrons by QCDFT Method”,Qing Peng, Oct 9, 2012. Hefei National Laboratory for Physical Sciences at the Microscale, Hefei, Anhui, China. [Link] (11) “Quantum Simulations of Materials at Large Scale”, Qing Peng, Oct 21, 2013. Institute of Mechanics,Chinese Academy of Sciences, Beijing, China. (12) “Quantum Simulations of Materials at Large Scale”, Qing Peng, Oct 23, 2013. Center for applied physics and technology, Peking University, Beijing, China. (13) “Quantum Simulations of Materials at Large Scale”,Qing Peng, Oct 24, 2013. ISSP,Institute of Solid Physics,Chinese Academy of Sciencce, Hefei, China. (14) “Quantum Simulations of Materials at Large Scale”,Qing Peng, Oct 29, 2013. Wuhan National Laboratory for Optoelectronics, Huazhong University of Science Technology, Wuhan, China. (15) “QCDFT multiscale modeling in solid mechanics”,Qing Peng, April, 2014. Washington State University, Richland, Washington, USA. (16) “Multiscale modeling of the multicomponents heterogenious reactive sys- tems”,Qing Peng, June, 2014. Wuhan University, Wuhan, Hubei, China. Invited Conference Talks (5) (1) “Quantum simulations of materials at large scale by QCDFT”,Qing Peng, Oct 7, 2012. “East Lake International Forum on Frontiers of Science and Technology for Outstanding Overseas Young Scholars”, Huazhong University of Science Technology, Wuhan, China. (2) “What can we learn by differentiating between the physical processes behind interference and diffraction phenomena?”, Qing Peng, Michael A. Barootkoob, Chandrasekhar Roychoudhuri, Aug 3, 2009, SPIE Meeting, San Diego, CA (3) “An Accelerated Quasicontinuum-DFT (QCDFT) Method and its Application to Radiation Damage Modeling”, Qing Peng and Suvranu De, 11th U.S. National Congress on Computational Mechanics. Jul 26, 2011, Minneapolis, Minnesota. (4) “A Two-dimensional Jelly: Mechanical properties of graphyne”,Qing Peng, Wei Ji and Suvranu De, Sept 25, 2012, 22nd International Workshop on Computational Mechanics of Materials (IWCMMXXII), Baltimore, MD (5) “A first-principles investigation of the crystal structure, elastic properties, and equation of states of β-cyclotetramethylene tetranitramine (HMX)”, Qing Peng, June 14–15, 2014 Gordon Research Seminar on Energetic materials, Sunday River Resort in Newry, ME. Conferences Talks (22) (1) “Computer Simulation of The Localization of Plastic Shear Events in Molecular Glasses”, Qing Peng, Marcel Utz, March 30, 2005, Materials Research Society (MRS) Spring Meeting, San Fransisco, CA (2) “Novel Approach to Study of the Localization of Plastic Relaxation Events in Plastic Deformation of Amorphous Polymers”, Qing Peng, Marcel Utz, March 24, 2005, American Physical Society (APS) March Meeting, Los Angeles, CA [Link] (3) “First Principle Based Computation of Pyroelectricity in LiNbO3”, Q. Peng, R. E. Cohen, March 18,2010, APS March Meeting, Portland, OR [Link] (4) “Quantum Mechanical Simulations of Nanoindentation of Al Thin Film with Mg impurities”, Qing Peng, Xu Zhang, Chen Huang, Emily A. Carter, Gang Lu, March 17,2010, APS March Meeting, Portland, OR [Link] (5) “Functional Polar Materials by Design”,R.E. Cohen, Q. Peng, and P. Ganesh, May 11 2010, 2010 U.S. Navy Workshop on Acoustic Transduction Materials and Devices, State College, Pennsylvania. (6) “Computational Studies of the Reduction and Adsorption Mechanisms of Ethylene Carbonate on the Surface of Carbon Anodes of Lithium ion Batteries”. Qing Peng, Zhiyao Duan and Guofeng Wang, Dec 3, 2010, MRS Fall 2010 Meeting, Boston, MA [Link] (7) “Origin of Pyroelectricity and the Electrocaloric Effect in LiNbO3”, Q. Peng, P. Ganesh and R. E. Cohen, Jan 31 2011, Fundamental Physics of Ferroelectrics and Related Materials 2011, NIST, Gaithersburg, MD USA (8) “A QCDFT Study of Hydrogen embrittlement at Crack Tip”, Qing Peng, Mar 22, 2011, APS March Meeting, Dallas, TX. [Link] (9) “The Temperature Dimension in First-principles Predictions of Properties of Piezoelectrics”, R.E. Cohen, P. Ganesh, and Q. Peng, 2011 International Workshop on Acoustic Transduction Materials and Devices. May 12, 2011 The Penn Stater Conference Center Hotel, State College, Pennsylvania. (10) “Electrocaloric Effect in LiNbO3 as functions of pressure and temperature”,Ronald Cohen,Maimon Rose,Qing Peng,P. Ganesh, Energy Frontier Research Centers Summit and Forum 2011, May 25,2011, Washington,DC. (11) “Time diffraction produced by a Talbot grating immersed in a dispersive medium”,Qing Peng,Chandra Roychoudhuri, Suvranu De. Aug 24, 2011. SPIE Meeting, San Diego, CA. (12) “Hydrogen Embrittlement in Zirconium: a Quasi-Continuum Density Functional Theory Study”,Qing Peng, Feb 27, 2012. APS meeting, Boston, MA. (13) “Golden Rule of Radiation Hardness: a Study of Strain Effect on Controlled Radiation Damage”,Qing Peng, Mar 1st, 2012. APS meeting, Boston, MA. (14) “A comparative study of fracture in Al: quantum mechanical vs. empirical atomistic description”,Qing Peng, Gang Lu, Sept 24, 2012, 22nd International Workshop on Computational Mechanics of Materials (IWCMMXXII), Baltimore, MD (15) “A Theoretical Analysis of the Effect of the Hydrogenation of Graphene to Graphane on Its Mechanical Properties”,Qing Peng, Wei Ji and Suvranu De, Mar 19, 2013 APS March meeting, Baltimore, MD (16) “Monovacancy in hcp-Zirconium”,Qing Peng, Wei Ji, Hanchen Huang and Suvranu De, Mar 20, 2013 American Physical Society (APS) March meeting, Baltimore, MD (17) “A real three-dimensional QCDFT model and its applications”, Qing Peng and Suvranu De, 12th U.S. National Congress on Computational Mechanics. Jul 24, 2013, Raleigh, North Carolina. (18) “Outstanding mechanical properties of monolayer MoS2 and its application in elastic energy storage”, Qing Peng and Suvranu De, Mar 4, 2014 American Physical Society (APS) March meeting, Denver, Colorado. (19) “Quantum mechanical modeling of hydrogen assisted cracking in aluminum”, Qing Peng, Yi Sun, and Gang Lu, Mar 4, 2014 American Physical Society (APS) March meeting, Denver, Colorado. (20) “Elastic limit of silicane”, Qing Peng and Suvranu De, June 18 2014, The 17th U.S. National Congress on Theoretical and Applied Mechanics (USNCTAM), East Lansing, Michigan. (21) “Crystal structure, elastic properties, and equation of states of β-HMX: A DFT-D2 study”, Qing Peng, Jun 19, 2014 Gordon Research Conference on Energetic materials, Sunday River Resort in Newry, ME. (22) “A first-principles investigation of the crystal structure, elastic properties, and equation of states of β-cyclotetramethylene tetranitramine (HMX)”, Qing Peng and Suvranu De, July 13–18, 15th International Detonation Symposium (IDS), San Francisco, CA. Qing Peng References Please contact my references for your serious consideration. • Suvranu De, Professor and Department Chair Department of Mechanical, Aerospace and Nuclear Engineering Rensselaer Polytechnic Institute Director, Center for Modeling, Simulation and Imaging in Medicine Rensselaer Polytechnic Institute 110, 8th Street JEC 5002, Troy, NY 12180 Phone: (518) 276-6096 Fax: (518) 276-6025 Email: des@rpi.edu • Hanchen Huang, Professor and Department Chair Department of Mechanical and Industrial Engineering Northeastern University 360 Huntington Avenue Boston, MA 02115 Office phone: (617)-373-5558 Cell phone: (860)-771-0771 Email: h.huang@neu.edu • Gang Lu, Prof. Dr. Director of Center of Excellence for Materials Innovation Department of Physics & Astronomy California State University Northridge 18111 Nordhoff Street, Northridge, CA 91330-8268 Phone: 818-677-2021 Fax: 818-677-3234 Email: ganglu@csun.edu • G. R. Liu, Prof. Dr. Professor and Ohio Eminent Scholar (Ohio State Endowed Chair) School of Aerospace Systems College of Engineering and Applied Science 733 Rhodes Hall University of Cincinnati, Cincinnati, OH 45221-0070, USA Phone: 513-556-3557 Fax: 513-556-3557 Email: liugr@uc.edu • Ronald E. Cohen, Prof. Dr. Staff Scientist, Carnegie Institution for Science; Honorary Professor, University College London 5251 Broad Branch Rd., N.W. Washington D.C. 20015 Phone: 202-478-8937 Email: cohen@gl.ciw.edu