Monte Carlo Modeling of Complex Reaction Systems: An Asphaltene Example

Author(s):  
Michael T. Klein ◽  
Matthew Neurock ◽  
Abhash Nigam ◽  
Cristian Libanati
2008 ◽  
Vol 26 (15) ◽  
pp. 1811-1821
Author(s):  
F.-Sh. Ouyang ◽  
B. Li ◽  
H.-B. Jiang ◽  
H.-X. Weng ◽  
F.-S. Ma

1990 ◽  
Vol 45 (8) ◽  
pp. 2083-2088 ◽  
Author(s):  
Matthew Neurock ◽  
Cristian Libanati ◽  
Abhash Nigam ◽  
Michael T. Klein

Author(s):  
Anirbid Sircar ◽  
Kriti Yadav ◽  
Kamakshi Rayavarapu ◽  
Namrata Bist

2002 ◽  
Author(s):  
Sergei V. Gangnus ◽  
Stephen J. Matcher ◽  
Igor V. Meglinski

2014 ◽  
Author(s):  
J. S. Villarrubia ◽  
A. E. Vladár ◽  
M. T. Postek

2006 ◽  
Vol 39 (18) ◽  
pp. 41-46
Author(s):  
Emilie Péry ◽  
Walter C.P.M. Blondel ◽  
Cédric Thomas ◽  
Jacques Didelon ◽  
François Guillemin

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.


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