Abstract

High-power 351 nm (3ω) laser pulses can produce damaged areas in high quality fused silica optics. Recent experiments have shown the presence of a densified layer at the bottom of damage initiation craters. We have studied the propagation of shock waves through fused silica using large-scale atomistic simulations since such shocks are expected to accompany laser energy deposition. These simulations show that the shocks induce structural transformations in the material that persist long after the shock has dissipated. Values of densification and thickness of densified layer agree with experimental observations. Moreover, our simulations give an atomistic description of the structural changes in the material due to shock waves and their relation to Raman spectra measurements.

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References

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  1. W. Primak, R. Kampwirth, "The radiation compaction of vitreous silica," J. Appl. Phys. 39, 5651-5658 (1968)
    [CrossRef]
  2. C. Meade, R. J. Hemley, H. K. Mao, "High-pressure X-Ray diffraction of SiO2 glass," Phys. Rev. Lett. 69, 1387-1390 (1992)
    [CrossRef] [PubMed]
  3. H. Sugiura, K. Kondo, A. Sawaoka, "Dynamic response of fused quartz in the permanent densification region," J. Appl. Phys. 52, 3375-3382 (1981).
    [CrossRef]
  4. M. D. Feit , L. W. Hrubesh, A. M. Rubenchik, J. Wong, "Scaling relations for laser damage initiation craters," in Laser-Induced Damage in Optical Materials Proc. SPIE (in press )
  5. M. Runkel, A. Burnham, D. Milam, W. Sell, M. D. Feit, A. M. Rubenchik, R. Fluck, P. Wegner, "Results of pulse-scaling experiments on rapid-growth DKDP triplers using the Optical Sciences Laser at 351 nm," in Laser-Induced Damage in Optical Materials Proc. SPIE (in press)
  6. J. Wong, D. Haupt, J.H. Kinney, M. Stevens-Kalceft, A. Stesmans, J. Ferreira, "Morphology, microstructure and defects in fused silica induced by high power 3 (355 nm) laser pulses," in Laser-Induced Damage in Optical Materials Proc. SPIE (in press)
  7. S. G. Demos, L. Sheehan, M. R. Kozlowski, "Spectroscopic investigation of SiO2 surfaces of optical materials for high power lasers," in Laser applications in microelectronic and optoelectronic applications V, Proc. SPIE 3933, 316-320 (2000)
  8. H. Sugiura, R. Ikeda, K. Kondo, T. Yamadaya, "Densified silica glass after shock compression," J. Appl. Phys. 81, 1651-1655 (1997).
    [CrossRef]
  9. A. Pasquarello and R. Car, "Identification of Raman defect lines as signatures of ring structures in vitreous silica," Phys. Rev. Lett. 80, 5145-5147 (1993).
    [CrossRef]
  10. B. P. Feuston, S. H. Garofalini, "Empirical three-body potential for vitreous silica," J. Chem. Phys. 89, 5818-5818 (1999).
    [CrossRef]
  11. E. M. Vogel, M. H. Grabow, S. W. Martin, "Role of silica densification in the performance of optical connectors", J. of Non-Crystalline solids 204, 95-98 (1996)
    [CrossRef]
  12. L. Mozzi, B. E. Warren, "The structure of vitreous silica," J. Appl. Crystl. 2, 164-168 (1969)
    [CrossRef]
  13. A. B. Belonoshko, "Atomistic simulation of shock wave-induced melting in Argon," Science 275, 955-957 (1997)
    [CrossRef] [PubMed]
  14. D. H. Robertson, J.J. C. Barrett, M. L. Elert, C. T. White, "Self-similar behavior from molecular dynamics simulations of detonations," Shock Compression of Condensed Matter, 297-300 (1998)
  15. J. K. West and L. L. Hench, "Molecular orbital models of silica rings and their vibrational spectra," J. Am. Ceramic Soc. 78, 1093-1096 (1994).
    [CrossRef]
  16. R. Feng, "Formation and propagation of failure in shocked glasses," J. Appl. Phys. 87, 1693-1700 (2000).
    [CrossRef]

Other

W. Primak, R. Kampwirth, "The radiation compaction of vitreous silica," J. Appl. Phys. 39, 5651-5658 (1968)
[CrossRef]

C. Meade, R. J. Hemley, H. K. Mao, "High-pressure X-Ray diffraction of SiO2 glass," Phys. Rev. Lett. 69, 1387-1390 (1992)
[CrossRef] [PubMed]

H. Sugiura, K. Kondo, A. Sawaoka, "Dynamic response of fused quartz in the permanent densification region," J. Appl. Phys. 52, 3375-3382 (1981).
[CrossRef]

M. D. Feit , L. W. Hrubesh, A. M. Rubenchik, J. Wong, "Scaling relations for laser damage initiation craters," in Laser-Induced Damage in Optical Materials Proc. SPIE (in press )

M. Runkel, A. Burnham, D. Milam, W. Sell, M. D. Feit, A. M. Rubenchik, R. Fluck, P. Wegner, "Results of pulse-scaling experiments on rapid-growth DKDP triplers using the Optical Sciences Laser at 351 nm," in Laser-Induced Damage in Optical Materials Proc. SPIE (in press)

J. Wong, D. Haupt, J.H. Kinney, M. Stevens-Kalceft, A. Stesmans, J. Ferreira, "Morphology, microstructure and defects in fused silica induced by high power 3 (355 nm) laser pulses," in Laser-Induced Damage in Optical Materials Proc. SPIE (in press)

S. G. Demos, L. Sheehan, M. R. Kozlowski, "Spectroscopic investigation of SiO2 surfaces of optical materials for high power lasers," in Laser applications in microelectronic and optoelectronic applications V, Proc. SPIE 3933, 316-320 (2000)

H. Sugiura, R. Ikeda, K. Kondo, T. Yamadaya, "Densified silica glass after shock compression," J. Appl. Phys. 81, 1651-1655 (1997).
[CrossRef]

A. Pasquarello and R. Car, "Identification of Raman defect lines as signatures of ring structures in vitreous silica," Phys. Rev. Lett. 80, 5145-5147 (1993).
[CrossRef]

B. P. Feuston, S. H. Garofalini, "Empirical three-body potential for vitreous silica," J. Chem. Phys. 89, 5818-5818 (1999).
[CrossRef]

E. M. Vogel, M. H. Grabow, S. W. Martin, "Role of silica densification in the performance of optical connectors", J. of Non-Crystalline solids 204, 95-98 (1996)
[CrossRef]

L. Mozzi, B. E. Warren, "The structure of vitreous silica," J. Appl. Crystl. 2, 164-168 (1969)
[CrossRef]

A. B. Belonoshko, "Atomistic simulation of shock wave-induced melting in Argon," Science 275, 955-957 (1997)
[CrossRef] [PubMed]

D. H. Robertson, J.J. C. Barrett, M. L. Elert, C. T. White, "Self-similar behavior from molecular dynamics simulations of detonations," Shock Compression of Condensed Matter, 297-300 (1998)

J. K. West and L. L. Hench, "Molecular orbital models of silica rings and their vibrational spectra," J. Am. Ceramic Soc. 78, 1093-1096 (1994).
[CrossRef]

R. Feng, "Formation and propagation of failure in shocked glasses," J. Appl. Phys. 87, 1693-1700 (2000).
[CrossRef]

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Figures (6)

Fig. 1:
Fig. 1:

Initial simulation set up. Colors represent coordination of silicon atoms, with grey being 4-fold corrdinated and yellow are 3-fold coordinated Si atoms.

Fig. 2:
Fig. 2:

Velocity profiles for (a) 0.75 km/s and (b) 2.5 km/s pistons at different times.

Fig. 3:
Fig. 3:

Velocities of shock waves as a function of piston velocity for two simulations (squares and filled circles) and experimental measurements (triangles)

Fig.4:
Fig.4:

Simulation (a) after shock, and (b) after relaxation showing the coordination of Si atoms. Gray are 4-fold coordinated, yellow 3-fold and green 5-fold. Movie of (a) (0.7Mb).

Fig. 5:
Fig. 5:

Ring size statistics before and after shock

Fig. 6:
Fig. 6:

Simulation (a) before, (b) after shock and (c) after relaxation showing rings of sizes 3 and 4 in magenta and the rings of size 10 and larger in yellow. Movie for shock propagation, (a) to (b) (0.7 Mb)

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