Structure of liquid aluminum and hydrogen absorption

Abstract

The hydrogen content in aluminum melts at different temperature was detected. The structure in aluminum melts was investigated by molecular dynamics simulation. The first peak position of pair correlation function, atomic coordination number and viscosity of aluminum melts were calculated and they changed abnormally in the same temperature range. The mechanism of hydrogen absorption has been discussed. From molecular dynamics calculations, the interdependence between melt structural properties and hydrogen absorption were obtained.

Keywords

hydrogen absorption / aluminum melts / liquid structure / viscosity / molecular dynamics simulation

References

[1] Sigworth G K. Practical Degassing of Aluminum[J]. Modern Casting, 1988 (3): 42–44

[2] Waite P. A Technical Perspective on Molten Aluminum Processing[J]. Light Metals, 2002: 841–848

[3] Hilton D A. Quantitative Measurement of Hydrogen in Molten Aluminum Alloys by a Reduced Pressure Technique[C]. 36 ^th Annual Meeting of the Investment Casting Institute, 1988

[4] Kanicki D. P., Rasmussen W. M. Processing Molten Aluminum-Part 2: Cleaning up Your Metal[J]. Mod. Cast, 1990, 80(2): 55-58.

[5] Iida T., Rodarick I. L. The Properties of Liquid Metal[M], 1993 Oxford Clavendon Press 148

[6] Lihl F., Schwaiger A. Umwandlungen in Flussigen Aluminium[J]. Z. Metallkd., 1967, 58: 776-779.

[7] Qi J. G., Wang J. Z., Wang B., . Viscosity of Liquid Aluminum Modified by Electric Pulse[J]. Int. J. Mod. Phys. B, 2009, 23(06–07): 869-874.

[8] Xu S. S. Advancement of X-ray Diffractometry[M], 1986 Beijing Science Press 101

[9] Daw M. S., Baskes M. I. Embedded-atom Method: Derivation and Application to Impurities, Surfaces, and Other Defects in Metals[J]. Phys. Rev. B, 1984, 29(12): 6 443-6 453.

[10] Skauvik I., Hansen J. P., Matthey T. Dynamics of Clustering in a Binary Lennard-Jones Material[J]. Model. Simul. Mater. Sci. Eng., 2000, 8: 665-676.

[11] Ozgen S., Duruk E. Melecular Dynamics Simulation of Solidification Kinetics of Aluminum Using Sutton-Chen Version of EAM[J]. Mat. Lett., 2004, 58: 1 071-1 075.

[12] Sutton A. P., Pethica J. B., Rafaii-Tabar H., . Pettifor D. G., Cottrell A. H., . Electron Theory in Alloy Design[M], 1992 Oxford The Alden Press 191

[13] Allen M. P., Tildesley D. J. Computer Simulation of Liquids[M], 1987 Oxford Clavendon Press 147

[14] Zhu W. H., Wu P., Jin H. M., . Effects of Ag and Ni Additives on Zn Diffusion in Steel Hot-Dip Galvanizing: An Abinitio Molecular Dynamics Simulation[J]. Chem. Matter., 2004, 16: 5 567-5 573.

[15] Tian C. S., Yu H., Zhang C., . The First Principle Calculation of Green-Kubo Formula with the Two-Time Ensemble Techique[J]. Commun. Theor. Phys., 2001, 35(4): 412-416.

[16] Assael M. J., Kakosimos K., Banish R. M., . Reference Data for the Density and Viscosity of Liquid Aluminumand Liquid Iron[DB]. J. Phys. Chem. Ref. Data, 2006, 35(1): 285-300.

[17] Brockner W., Tørklep K., AØye H. Viscosity of Sodium Fluoride-Aluminium Fluoride Melt Mixtures[J]. Ber. Bunsen. Phys. Chem., 1979, 83(1): 12-19.

[18] Ruppersberg H., Seeman H. J. The Atomic Distribution Curves for Solid and Molten Al according to Investigations in SAP[J]. Z. Naturforsch, 1965, 20a: 104-109.

[19] Young W. Y. Structural and Thermodynamic Properties of NFE Liquid Metals and Binary Alloys[J]. Rep. Prog. Phys., 1992, 55: 1 769-1 853.