TY - GEN

T1 - Computer simulation of bubble formation

AU - Insepov, Z.

AU - Bazhirov, T.

AU - Norman, G.

AU - Stegailov, V.

PY - 2007/12/3

Y1 - 2007/12/3

N2 - Properties of liquid metals (Li, Pb, Na) containing nanoscale cavities were studied by atomistic Molecular Dynamics (MD). Two atomistic models of cavity simulation were developed that cover a wide area in the phase diagram with negative pressure. In the first model, the thermodynamics of cavity formation, stability and the dynamics of cavity evolution in bulk liquid metals have been studied. Radial densities, pressures, surface tensions, and work functions of nano-scale cavities of various radii were calculated for liquid Li, Na, and Pb at various temperatures and densities, and at small negative pressures near the liquid-gas spinodal, and the work functions for cavity formation in liquid Li were calculated and compared with the available experimental data. The cavitation rate can further be obtained by using the classical nucleation theory (CNT). The second model is based on the stability study and on the kinetics of cavitation of the stretched liquid metals. A MD method was used to simulate cavitation in a metastable Pb and Li melts and determine the stability limits. States at temperatures below critical (T < 0.5Tc) and large negative pressures were considered. The kinetic boundary of liquid phase stability was shown to be different from the spinodal. The kinetics and dynamics of cavitation were studied. The pressure dependences of cavitation frequencies were obtained for several temperatures. The results of MD calculations were compared with estimates based on classical nucleation theory.

AB - Properties of liquid metals (Li, Pb, Na) containing nanoscale cavities were studied by atomistic Molecular Dynamics (MD). Two atomistic models of cavity simulation were developed that cover a wide area in the phase diagram with negative pressure. In the first model, the thermodynamics of cavity formation, stability and the dynamics of cavity evolution in bulk liquid metals have been studied. Radial densities, pressures, surface tensions, and work functions of nano-scale cavities of various radii were calculated for liquid Li, Na, and Pb at various temperatures and densities, and at small negative pressures near the liquid-gas spinodal, and the work functions for cavity formation in liquid Li were calculated and compared with the available experimental data. The cavitation rate can further be obtained by using the classical nucleation theory (CNT). The second model is based on the stability study and on the kinetics of cavitation of the stretched liquid metals. A MD method was used to simulate cavitation in a metastable Pb and Li melts and determine the stability limits. States at temperatures below critical (T < 0.5Tc) and large negative pressures were considered. The kinetic boundary of liquid phase stability was shown to be different from the spinodal. The kinetics and dynamics of cavitation were studied. The pressure dependences of cavitation frequencies were obtained for several temperatures. The results of MD calculations were compared with estimates based on classical nucleation theory.

KW - Bubble

KW - Cavity

KW - Liquid metals

KW - Nucleation theory

KW - Simulation

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UR - http://www.scopus.com/inward/citedby.url?scp=84858461752&partnerID=8YFLogxK

M3 - Conference contribution

AN - SCOPUS:84858461752

SN - 0894480596

SN - 9780894480591

T3 - Joint International Topical Meeting on Mathematics and Computations and Supercomputing in Nuclear Applications, M and C + SNA 2007

BT - Joint International Topical Meeting on Mathematics and Computations and Supercomputing in Nuclear Applications, M and C + SNA 2007

T2 - Joint International Topical Meeting on Mathematics and Computations and Supercomputing in Nuclear Applications, M and C + SNA 2007

Y2 - 15 April 2007 through 19 April 2007

ER -