scholarly journals The crystal–liquid interface of a body‐centered‐cubic‐forming substance: Computer simulations of the r−6 potential

1989 ◽  
Vol 91 (6) ◽  
pp. 3638-3646 ◽  
Author(s):  
Brian B. Laird ◽  
A. D. J. Haymet
Keyword(s):  
Computer Simulations ◽  
Liquid Interface ◽  
Body Centered Cubic

A polymer microgel at a liquid–liquid interface: theory vs. computer simulations

Soft Matter ◽  
2016 ◽  
Vol 12 (32) ◽  
pp. 6799-6811 ◽  
Author(s):  
Artem M. Rumyantsev ◽  
Rustam A. Gumerov ◽  
Igor I. Potemkin
Keyword(s):  
Computer Simulations ◽  
Liquid Interface ◽  
Interface Theory

The Solid-Liquid Interface: Theory and Computer Simulations

1985 ◽  
Vol 63 ◽  
Author(s):  
B. B. Laird ◽  
A. D. J. Haymet
Keyword(s):  
Computer Simulations ◽  
Density Functional ◽  
Dynamic Properties ◽  
Computer Experiments ◽  
Liquid Interface ◽  
Liquid Interfaces ◽  
Functional Theory ◽  
Interface Theory ◽  
Solid Liquid Interface ◽  
Solid Liquid

ABSTRACTWe present the results of computer simulations of body centered cubic (bcc)/melt interfaces, with particular emphasis on the “width” of the interface. Both static and dynamic properties of single crystal/liquid interfaces are examined. The implications for crystal growth near equilibrium are discussed. The results of these computer “experiments” are compared with an extended density functional theory of the solid-liquid interface.

scholarly journals Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid–Liquid Interface with Computer Simulations

2013 ◽  
Vol 117 (50) ◽  
pp. 16148-16156 ◽  
Author(s):  
Mária Darvas ◽  
Miguel Jorge ◽  
M. Natalia D. S. Cordeiro ◽  
Sofia S. Kantorovich ◽  
Marcello Sega ◽  
...  
Keyword(s):  
Free Energy ◽  
Computer Simulations ◽  
Solvation Free Energy ◽  
Liquid Interface ◽  
Energy Profile ◽  
Free Energy Profile

Voids in Irradiated Tungsten and Molybdenum

1969 ◽  
Vol 27 ◽  
pp. 190-191
Author(s):  
Robert C. Rau ◽  
Robert L. Ladd
Keyword(s):  
Melting Point ◽  
Fast Neutron ◽  
Neutron Irradiation ◽  
Elevated Temperatures ◽  
Irradiation Temperature ◽  
The Body ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Cubic Metals ◽  
Face Centered

Recent studies have shown the presence of voids in several face-centered cubic metals after neutron irradiation at elevated temperatures. These voids were found when the irradiation temperature was above 0.3 Tm where Tm is the absolute melting point, and were ascribed to the agglomeration of lattice vacancies resulting from fast neutron generated displacement cascades. The present paper reports the existence of similar voids in the body-centered cubic metals tungsten and molybdenum.

A High Resolution Study of G.P. Zones in Aluminum - 4.2 at % Silver

1982 ◽  
Vol 40 ◽  
pp. 722-723 ◽  
Author(s):  
R. Gronsky
Keyword(s):  
Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
High Resolution ◽  
Computer Simulations ◽  
Structural Characteristics ◽  
X Ray Diffraction ◽  
X Ray ◽  
Transmission Electron ◽  
Resolution Study

The phenomenon of clustering in Al-Ag alloys has been extensively studied since the early work of Guinierl, wherein the pre-precipitation state was characterized as an assembly of spherical, ordered, silver-rich G.P. zones. Subsequent x-ray and TEM investigations yielded results in general agreement with this model. However, serious discrepancies were later revealed by the detailed x-ray diffraction - based computer simulations of Gragg and Cohen, i.e., the silver-rich clusters were instead octahedral in shape and fully disordered, atleast below 170°C. The object of the present investigation is to examine directly the structural characteristics of G.P. zones in Al-Ag by high resolution transmission electron microscopy.

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