The Defect Structure of Yttria Stabilized Zirconia

1985 ◽  
Vol 60 ◽  
Author(s):  
C.R.A. Catlow ◽  
A.V. Chadwick ◽  
A.N. Cormack ◽  
G.N. Greaves ◽  
M. Leslie ◽  
...  
Keyword(s):  
Computer Simulation ◽  
Defect Structure ◽  
Yttria Stabilized Zirconia ◽  
Simulation Studies ◽  
Stabilized Zirconia ◽  
Association Models ◽  
Computer Simulation Studies

AbstractWe present results of EXAFS and computer simulation studies of the defect structure of yttria-stabilised zirconia. The results are analysed in terms of dopant-vacancy association models for this phase.

scholarly journals Computer Simulation Studies of Mammalian Pyruvate Kinase

1967 ◽  
Vol 242 (9) ◽  
pp. 2124-2133 ◽  
Author(s):  
Lawrence A. Kerson ◽  
David Garfinkel ◽  
Albert S. Mildvan
Keyword(s):  
Computer Simulation ◽  
Pyruvate Kinase ◽  
Simulation Studies ◽  
Computer Simulation Studies

Computer simulation studies on electrodeposition of zinc

1993 ◽  
Vol 34 (3-4) ◽  
pp. 290-294 ◽  
Author(s):  
R. Ravi ◽  
A.Sundara Raj ◽  
Thirumalai Parthiban ◽  
G. Radhakrishnan ◽  
R. Kalidoss
Keyword(s):  
Computer Simulation ◽  
Simulation Studies ◽  
Computer Simulation Studies

Computer simulation studies of the growth of strained layers by molecular-beam epitaxy

1990 ◽  
Vol 42 (5) ◽  
pp. 2914-2922 ◽  
Author(s):  
D. A. Faux ◽  
G. Gaynor ◽  
C. L. Carson ◽  
C. K. Hall ◽  
J. Bernholc
Keyword(s):  
Computer Simulation ◽  
Molecular Beam Epitaxy ◽  
Molecular Beam ◽  
Simulation Studies ◽  
Strained Layers ◽  
Computer Simulation Studies

Computer Simulation Studies of Molecular Orientation in Polyethylene Networks:  Orientation Functions and the Legendre Addition Theorem†

2000 ◽  
Vol 33 (13) ◽  
pp. 4966-4971 ◽  
Author(s):  
J. I. Cail ◽  
D. J. R. Taylor ◽  
R. F. T. Stepto ◽  
M. G. Brereton ◽  
R. A. Jones ◽  
...  
Keyword(s):  
Computer Simulation ◽  
Molecular Orientation ◽  
Addition Theorem ◽  
Simulation Studies ◽  
Computer Simulation Studies

Computer Simulation Studies of Fracture in Vitreous Silica

2002 ◽  
Vol 731 ◽  
Author(s):  
Romulo Ochoa ◽  
Michael Arief ◽  
Joseph H. Simmons
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Computer Simulations ◽  
Silica Glass ◽  
Vitreous Silica ◽  
Uniaxial Strain ◽  
Force Function ◽  
Simulation Studies ◽  
Previous Fracture ◽  
Computer Simulation Studies

AbstractWe conduct molecular dynamics computer simulations of fracture in silica glass using the van Beest, Kramer, and van Santen model. Stress is applied by uniaxial strain at different pulling rates. Comparisons with previous fracture simulations of silica that used the Soules force function are presented. We find that in both models stress is relieved by rotation of the (SiO4)-2 tetrahedrons, increasing Si-O-Si bonding angles, and only small changes in the tetrahedron dimensions and O-Si-O angles.

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