Raff, Lionel - Oklahoma State University

个人简介

B.S., 1956, University of Oklahoma M.S., 1957, University of Oklahoma Ph.D., 1962, University of Illinois

研究领域

Theoretical studies of reaction dynamics and mechanisms on ab initio potential energy surfaces Quantum mechanical energy level calculations Theoretical studies using neural networks; theoretical investigations of gas-solid interactions, gas-phase energy transfer Matrix isolation chemistry, molecular dynamics simulations of machining, grinding, scratching and indentation

近期论文

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D. I. Doughan, L. M. Raff, M. G. Rockley, M. Hagan; Paras M. Agrawal, and R. Komanduri, "Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feed-forward neural networks.", J. Chem. Phy. 124, 054321/1-054321/17 (2006). N. Chandrasekaran, A. Noori Khajavi, L. M. Raff and R. Komanduri, "A New Method for MD Simulation of Nanometric Cutting", Phil. Mag. B. Vol. 77, No. 1, 7-26 (1998) R. Komanduri, N. Chandrasekaran and L. M. Raff, "Effect of Tool Geometry in Nanometric Cutting: A Molecular Dynamics Simulation Approach", Wear, 219, 84 (1998). R. Komanduri, N. Chandrasekaran and L. M. Raff, "Some Aspects of Machining with Negative Rake Tools Simulating Grinding: An MD Simulation Approach", Phil. Mag. B, Vol. 79, No. 7, 955-968 (1999). R. Komanduri, N. Chandrasekaran and L. M. Raff, "MD Simulation of Nanometric Cutting of Single Crystal Aluminum - Effect of Crystal Orientation and Direction of Cutting", Wear, 242, 60-88 (2000). R. Komanduri, N. Chandrasekaran, P. R. Mukund and L. M. Raff, "MD Simulation of Indentation and Scratching of Single Crystal Aluminum", Wear, 240, 113-143 (2000). R. Komandur, N. Chandrasekaran and L. M. Raff, "MD Simulation of Atomic Scale Friction", Phys. Rev B., 61(20), 14007-14019 (2000) R. Komanduri, N. Chandrasekaran and L. M. Raff, "Orientation Effects in Nanometric Cutting of Single Crystal Materials: An MD Simulation Approach", Ann. CIRP, Vol. 48, 1, (1999), 67-72. R. Komanduri, N. Chandrasekaran and L. M. Raff, "MD Simulation of Exit Failure in Machining", J. Mat. Sci. and Eng. A, A311, 1 (2001) 1-12. Ranga Komanduri and Lionel M. Raff, "On the Simulation of Machining at the Atomic Scale", Proceedings Third International Conference on Metal Cutting and High-Speed Machining, June 27-29, 2001, Metz, France. R. Komanduri, N. Chandrasekaran, and L. M. Raff, "Molecular Dynamics Simulation of Nanometric Cutting of Silicon", Phil. Mag. B, (2001), Vol. 81, No. 12, 1989-2019. R. Komanduri, N. Chandrasekaran and L. M. Raff, "Molecular Dynamics (MD) Simulations of Uniaxial Tension of Some Single Crystal Cubic Metals at Nanolevel", Int. J. Mechanical Sciences 43 (2001) 2237-2260. N. Chandrasekaran, L. M. Raff, and R. Komanduri, "A Combined Monte Carlo/Damped Trajectory Simulation of Nonometric Testing of FCC Metals in Uniaxial Tension", Phil. Mag. Lett., 2002, Vol. 82, No. 5, pp. 247-256. R. Komanduri and L. M. Raff, "A Review on the Molecular Dynamics Simulation of Machining at the Atomic Scale", Proc. Inst. Mech Engs, London, Vol. 215, (2001) Part B, 1639-1672. R. Komanduri, N. Chandrasekaran, and L. M. Raff, "Molecular Dynamics Simulations of Uniaxial Tension at Nanoscale of Semiconductor Materials for MEMS Applications", J. Materials Science and Engineering A, A340 (2003) 58-67. R. Komanduri, L. M. Raff, and R. Narulkar, "Monte Carlo Simulation of Nanometric Cutting", Phil. Mag. Vol. 84, (2004). N. Narulkar, L. M. Raff, and R. Komanduri, "Monte Carlo-Steepest Descent (MC-SD) Simulations of Nanometric Cutting", J. Nanoengineering and Nanosystems, Inst. Mech. Eng. (London), 218, Part N, 7-16 (2005). Paras Mal Agrawal, Lionel M. Raff, and Ranga Komanduri, "Monte Carol Simulations of Void-Nucleated Melting of Silicon via Modification in the Tersoff Potential Parameters", Physical Reveiew B, 72, 125206 (2005). Paras M. Agrawal, Bala S. Sudalayandi, Lionel M. Raff, and Ranga Komanduri, "A Comparison of Different Methods of Young's Modulus Determination for Single Wall Carbon Nanotubes (SWCNT) Using Molecular Dynamcis (MD) Simulations" Computational Material Science 38, 271-281 (2006). Paras M. Agrawal, B. S. Sudalayandi, L. M. Raff, and R. Komanduri, "Molecular Dynamics (MD) Simulations of the Dependence of C-C Bond Lengths and Bond Angles on the Tensile Strain in Single-Wall Carbon Nanotubes (SWCNT)" Computational Materials Science, Accepted for Publication (2007).