## Murray S. Daw202A Kinard Labs Clemson University Clemson, SC 29634-1911 |

``Calculations of lattice vibrational mode lifetimes using Jazz: a Python wrapper for LAMMPS"Y. Gao, H. Wang, and M. Daw, Modeling and Simulation in Materials Science and Engineering v23 a045002 (2015) [pdf]

``Testing the fourth moment approximation of vibrational mode lifetimes in fcc Lennard-Jonesium"Y. Gao and M. Daw, Modeling and Simulation in Materials Science and Engineering v22 a075011 (2014) [pdf]

``Improved calculation of vibrational mode lifetimes in anharmonic solids -- Part III: Extention to Fourth Moment"Y. Gao, D. Dickel, D. Harrison, and M. Daw, Comp. Mat. Sci. v89, p12 (2014.) [pdf]

``Improved calculation of vibrational mode lifetimes in anharmonic solids -- Part II: Numerical results"D. Dickel and M. Daw, Comp. Mat. Sci. v49, p445 (2010.) [pdf]

``Improved calculation of vibrational mode lifetimes in anharmonic solids -- Part I: Theory"D. Dickel and M. Daw, Comp. Mat. Sci. v47, p698 (2010.) [pdf]

``Topological description of the Stone-Wales defect formation energy in carbon nanotubes and graphene", E. Ertekin, D. Chrzan, and M. Daw, Phys Rev B, v79 a155421 (2009). [pdf]

``First-principles super-cell investigation of the rattling effect in Li-doped KCl", X. Gao and M. Daw, J. Phys. Cond. Matt. v21 a045401 (2009). [pdf]

``Investigation of band inversion in (Pb,Sn)Te alloys using ab inition calculations", X. Gao and M. Daw, Phys Rev B, v77, a033103 (2008). [pdf]

``Calculations of diffusion in FCC binary alloys using on-the-fly kinetic monte carlo", E. Bleda, X. Gao, M. Daw, Comp. Mat. Sci. v43, p608 (2008.) [pdf]

``Elasticity effects in electronic structure calculations with periodic boundary conditions", M. Daw, Comp. Mat. Sci. v38, p293 (2006.) [pdf]

``Calculations of diffusion and diffusion-limited processes in Ni3Al using accelerated molecular dynamics", C. Harris, R. Tedstrom, M. Daw, M. Mills, Comp. Mat. Sci. v37, p462 (2006.) [pdf]

``Dynamic scaling in a simple one-dimensional model of dislocation activity", J. Deslippe, R. Tedstrom, M. Daw, D. Chrzan, T. Neeraj, and M. Mills, Phil. Mag. v84, p2445 (2004.) [pdf]

``Ion solid surface interactions in ionized copper physical vapor deposition", X.-Y. Liu, M. S. Daw, J. D. Kress, D. E. Hanson, V. Arunachalam, D. G. Coronell, C.-L. Liu, A. F. Voter, Thin Solid Films, v 422, p141 (2002). [pdf]

``Multiscale modeling of stress-mediated diffusion in silicon: Ab initio to continuum", M. Laudon, N. Carlson, M. Masquelier, M. Daw, and W. Windl, Appl. Phys. Lett., v78, p201 (2001). [pdf]

``Effect of Stress on Dopant and Defect Diffusion in Si---General Treatment'', M. S. Daw, W. Windl, N. N. Carlson, M. Laudon, and M. P. Masquelier, Phys Rev B, V64, a045205 (2001). [pdf]

"Dislocation pinning/depinning transition: fixed-point analysis", D. G. Tekleab, J. W. Lawson, and M. S. Daw, Phys. Rev. B62, p839 (2000). [pdf]

"The Mechanism of slip transition at intermediate temperatures in <001> oriented Ni-44Al single crystals; Part II: A metastable state for a<111>{110} dislocations in B2 NiAl and its role in their decomposition", J. Brown, R. Srinivasan, M. J. Mills and M. S. Daw, , Phil. Mag. A80, pp. 2855-2870 (2000). [pdf]

"The Mechanism of slip transition at intermediate temperatures in <001> oriented Ni-44Al single crystals; Part I: Experimental observations of the decomposition of a<111> dislocations in Ni-44 at.\% Al", R. Srinivasan, J. Brown, M. S. Daw, R. D. Noebe, and M. J. Mills, Phil. Mag. A80, pp. 2841-2854 (2000). [pdf]

"Model of energetics of solids based on the density matrix", M. S. Daw, Phys Rev B47, 10895 (1993).[pdf]

"Model of metallic cohesion: The embedded-atom method", M. S. Daw, Phys Rev B39, 7441 (1989).[pdf]

"Order-disorder transition of Au and Pt (110) surfaces: the significance of relaxations and vibrations", M. S. Daw and S. M. Foiles, Phys Rev Lett, v59, 2756 (1987). [pdf]

"Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys", S. M. Foiles, M. I. Baskes, and M. S. Daw, Phys Rev B33, 7983 (1986). [pdf]

"Embedded-atom method: Derivation and application to impurities and other defects in metals", M. S. Daw and M. I. Baskes, Phys Rev B29, 6443 (1984).[pdf]

"Semiempirical, quantum mechanical calculation of hydrogen embrittlement in metals", M. S. Daw and M. I. Baskes, Phys Rev Lett, v50, 1285 (1983).[pdf]

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