Structural characteristics of Ag3Au alloy melt and crystal growth by molecular dynamics simulation
作者： Li Wang , Xiu-Fang Bian , Hui Li
DOI: 10.1016/S0167-577X(01)00254-3
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摘要: Abstract By means of constant temperature, pressure molecular dynamics simulation technique, the dependence a series properties Ag 3 Au alloy melts on temperature has been investigated. The atoms interact via an embedded-atom method potential function. Pair correlation functions liquid during different cooling rate and have simulated to reveal structural features liquid, supercooled glass state crystal. thermodynamics transitions processes studied. Lastly, crystal growth described using crystal–liquid configuration lastly.
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sci-hub.se 参考文章(16)
Jeremy Q. Broughton, George H. Gilmer, Molecular dynamics investigation of the crystal–fluid interface. III. Dynamical properties of fcc crystal–vapor systems The Journal of Chemical Physics. ,vol. 79, pp. 5119- 5127 ,(1983) , 10.1063/1.445635
Masahiko Katagiri, Momoji Kubo, Ryo Yamauchi, Akira Miyamoto, Yasuo Nozue, Osamu Terasaki, Terry R. Coley, Yongsheng Sean Li, John M. Newsam, Molecular Dynamics Simulations of Metal Clusters and Metal Deposition on Metal Surfaces Japanese Journal of Applied Physics. ,vol. 34, pp. 6866- 6872 ,(1995) , 10.1143/JJAP.34.6866
Murray S. Daw, M. I. Baskes, Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals Physical Review Letters. ,vol. 50, pp. 1285- 1288 ,(1983) , 10.1103/PHYSREVLETT.50.1285
J. S. C. Jang, C. C. Koch, Amorphization and disordering of the Ni 3 Al ordered intermetallic by mechanical milling Journal of Materials Research. ,vol. 5, pp. 498- 510 ,(1990) , 10.1557/JMR.1990.0498
Nicholas Metropolis, Arianna W. Rosenbluth, Marshall N. Rosenbluth, Augusta H. Teller, Edward Teller, Equation of State Calculations by Fast Computing Machines The Journal of Chemical Physics. ,vol. 21, pp. 1087- 1092 ,(1953) , 10.1063/1.1699114
R. Scott, M. P. Allen, D. J. Tildesley, Computer Simulation of Liquids. Mathematics of Computation. ,vol. 57, pp. 442- ,(1991) , 10.2307/2938686
C. Massobrio, V. Pontikis, G. Martin, Molecular-dynamics study of amorphization by introduction of chemical disorder in crystallineNiZr2 Physical Review B. ,vol. 41, pp. 10486- 10497 ,(1990) , 10.1103/PHYSREVB.41.10486
F. Cardellini, V. Contini, G. Mazzone, Ordering kinetics of disordered Ni3Al synthesized by mechanical alloying Scripta Metallurgica Et Materialia. ,vol. 32, pp. 641- 646 ,(1995) , 10.1016/0956-716X(95)90852-B
Murray S. Daw, M. I. Baskes, Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals Physical Review B. ,vol. 29, pp. 6443- 6453 ,(1984) , 10.1103/PHYSREVB.29.6443
R. A. Johnson, Analytic nearest-neighbor model for fcc metals Physical Review B. ,vol. 37, pp. 3924- 3931 ,(1988) , 10.1103/PHYSREVB.37.3924