Estimation of order–disorder transition temperature in Pt–Co alloy by Monte Carlo simulation using modified embedded atom method

2001 ◽  
Vol 45 (5) ◽  
pp. 495-502 ◽  
Author(s):  
Sung Il Park ◽  
Byeong-Joo Lee ◽  
Hyuck Mo Lee
1990 ◽  
Vol 205 ◽  
Author(s):  
P. Bacher ◽  
P. Wynblatt

AbstractMonte Carlo simulation, in conjunction with the embedded atom method, has been used to model the composition and structure of a semicoherent (001) interphase boundary separating coexisting Cu-rich and Ag-rich phases in a binary Cu-Ag alloy. The results are compared with earlier simulations of the same boundary in a Cu-Ag-Au alloy, in which Au was found to segregate to the interface, and the boundary was found to be unstable with respect to break-up into {111} facets. The boundary in the binary system is also unstable to faceting, but displays both {100} as well as {111} facets. It is concluded that Au segregation in the ternary alloy plays an important role in stabilizing the {111} facets. The interplay between the misfit dislocations present at the interface, and the compositional features of the boundary are also discussed.


2007 ◽  
Vol 14 (03) ◽  
pp. 411-417 ◽  
Author(s):  
YU CHEN ◽  
SHUZHI LIAO

The surface concentrations and concentration depth profiles to the (110) surface of an Au 75 Pd 25 alloy is studied by modified analytical embedded atom method (MAEAM) with the Monte Carlo simulations. The results indicate that Au enriched in the two topmost layers, but depleted in the third layer. The Au concentration in the non-reconstructed surface is less than that in the reconstructed surface. Au concentration in third layer of reconstructed surface, which is more agreement with experimental data in present simulations, is about 63% 61% and 55%, at 800K, 600K and 400K respectively. Thus the present simulations are helpful for a better understanding of surface segregation of AuPd alloys.


2002 ◽  
Vol 517 (1-3) ◽  
pp. 177-185 ◽  
Author(s):  
Huiqiu Deng ◽  
Wangyu Hu ◽  
Xiaolin Shu ◽  
Lihua Zhao ◽  
Bangwei Zhang

2014 ◽  
Vol 121 ◽  
pp. 407-414 ◽  
Author(s):  
Tanyakarn Treeratanaphitak ◽  
Mark D. Pritzker ◽  
Nasser Mohieddin Abukhdeir

2007 ◽  
Vol 601 (7) ◽  
pp. 1668-1676 ◽  
Author(s):  
Jan Luyten ◽  
Maarten Schurmans ◽  
Claude Creemers ◽  
Bouke S. Bunnik ◽  
Gert Jan Kramer

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