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TECHNICAL PAPERS

Molecular Dynamics Simulation of Heat Transfer and Phase Change During Laser Material Interaction

[+] Author and Article Information
Xinwei Wang, Xianfan Xu

School of Mechanical Engineering, Purdue University, West Lafayette, IN 47907

J. Heat Transfer 124(2), 265-274 (Aug 15, 2001) (10 pages) doi:10.1115/1.1445289 History: Received March 30, 2001; Revised August 15, 2001
Copyright © 2002 by ASME
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References

Shibahara,  M., and Kotake,  S., 1997, “Quantum Molecular Dynamics Study on Light-to-Heat Absorption Mechanism: Two Metallic Atom System,” Int. J. Heat Mass Transf., 40, pp. 3209–3222.
Shibahara,  M., and Kotake,  S., 1998, “Quantum Molecular Dynamics Study of Light-to-Heat Absorption Mechanism in Atomic Systems,” Int. J. Heat Mass Transf., 41, pp. 839–849.
Häkkinen,  H., and Landman,  U., 1993, “Superheating, Melting, and Annealing of Copper Surfaces,” Phys. Rev. Lett., 71, pp. 1023–1026.
Anisimov,  S. I., Kapeliovich,  B. L., and Perel’man,  T. L., 1974, “Electron Emission From Metal Surfaces Exposed to Ultra-short Laser Pulses,” Sov. Phys. JETP, 39, pp. 375–377.
Kotake,  S., and Kuroki,  M., 1993, “Molecular Dynamics Study of Solid Melting and Vaporization by Laser Irradiation,” Int. J. Heat Mass Transf., 36, pp. 2061–2067.
Herrmann,  R. F. W., and Campbell,  E. E. B., 1998, “Ultrashort Pulse Laser Ablation of Silicon: an MD Simulation Study,” Applied Physics A, 66, pp. 35–42.
Zhigilei,  L. V., Kodali,  P. B. S., and Garrison,  J., 1997, “Molecular Dynamics Model for Laser Ablation and Desorption of Organic Solids,” J. Phys. Chem. B, 101, pp. 2028–2037.
Zhigilei,  L. V., Kodali,  P. B. S., and Garrison,  J., 1998, “A Microscopic View of Laser Ablation,” J. Phys. Chem. B, 102, pp. 2845–2853.
Ohmura, E., Fukumoto, I., and Miyamoto, I., 1999, “Modified Molecular Dynamics Simulation on Ultrafast Laser Ablation of Metal,” Proceedings of the International Congress on Applications of Lasers and Electro-Optics, Laser Institute of America, Orlando, pp. 219–228.
Girifalco,  L. A. and Weizer,  V. G., 1959, “Application of the Morse Potential Function to Cubic Metals,” Phys. Rev., 114, pp. 687–690.
Etcheverry,  J. I., and Mesaros,  M., 1999, “Molecular Dynamics Simulation of the Production of Acoustic Waves by Pulsed Laser Irradiation,” Phys. Rev. B, 60, pp. 9430–9434.
Allen, M. P., and Tildesley, D. J., 1987, Computer Simulation of Liquids, Clarendon Press, Oxford.
Broughton,  J. Q., and Gilmer,  G. H., 1983, “Molecular Dynamics Investigation of the Crystal-Fluid Interface. I. Bulk Properties,” J. Chem. Phys., 79, pp. 5095–5104.
Berendsen,  H. J. C., Postma,  J. P. M., van Gunsteren,  W. F., DiNola,  A., and Haak,  J. R., 1984, “Molecular Dynamics With Coupling to an External Bath,” J. Chem. Phys., 81, pp. 3684–90.
Peterson,  O. G., Batchelder,  D. N., and Simmons,  R. O., 1966, “Measurements of X-Ray Lattice Constant, Thermal Expansivity, and Isothermal Compressibility of Argon Crystals,” Phys. Rev., 150, pp. 703–711.
Wang, X., and Xu, X., 2001, “Molecular Dynamics Simulation of Thermal and Thermomechanical Phenomena in Picosecond Laser Material Interaction,” submitted to the 12th International Heat Transfer Conference.
Wang, X., 2001, “Thermal and Thermomechanical Phenomena in Laser Material Interaction,” Ph.D. thesis, Purdue University, West Lafayette, IN.
Chokappa,  D. K., Cook,  S. J., and Clancy,  P., 1989, “Nonequilibrium Simulation Method for the Study of Directed Thermal Processing,” Phys. Rev. B, 39, pp. 10075–10087.
Keeler,  G. J., and Batchelder,  D. N., 1970, “Measurement of the Elastic Constants of Argon from 3 to 77°K,” J. Phys. C, 3, pp. 510–522.
Ishizaki,  K., Spain,  I. L., and Bolsaitis,  R., 1975, “Measurements of Longitudinal and Transverse Ultrasonic Wave Velocities in Compressed Solidified Argon and Their Relationship to Melting Theory,” J. Chem. Phys., 63, pp. 1401–1410.

Figures

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Scheme of the computational domain.
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Comparison of the velocity distribution by the MD simulation with the Maxwellian velocity distribution.
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Structure of the target in the x-z plane within the range of 0<x<12 nm and 0<y<12.6 nm.
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Temperature distribution in the target illuminated with a laser pulse of 0.06 J/m2 .
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Snapshots of atomic positions in argon illuminated with a laser pulse with a fluence of 0.7 J/m2 .
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Distribution of the number density of atoms at different times in argon illuminated with a laser pulse of 0.7 J/m2 .
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In-plane structures reflected by the atomic positions at different z locations at 20 ps.
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In-plane radial distribution functions at different z locations at 20 ps.
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(a) Positions, and (b) velocities of the solid-liquid interface and the liquid-vapor interface in argon illuminated with a laser pulse of 0.7 J/m2 .
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Velocity distributions at different z locations at 20 ps. Solid line: Maxwellian distribution; dots: MD simulation.
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Temperature distribution in argon illuminated with a laser pulse of 0.7 J/m2 .
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The stress evolution at the location of 9.5 nm in argon illuminated with a laser pulse of 0.7 J/m2 .
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Spatial distribution of the average velocity in the z direction in argon illuminated with a laser pulse of 0.7 J/m2 .
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(a) Thickness of the melted and vaporized solid, and (b) the rate of change in argon illuminated with a laser pulse of 0.7 J/m2 .
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The ablation depth induced by different laser fluences in argon.

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