Examples of ADESH Calculations
adesh.zip
:Click HERE to Download a DEMO version of ADESH
ADESH works on PC-DOS. You will need the pkunzip.exe utility
for this zipped file. ADESH works on MAC and UNIX workstations
in a DOS window.
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Cubic Zirconia:
(a) What is a configuration of a {110} surface
in ZrO2?.
(b) How does the configuration change with
surface relaxation in ZrO2?
(c) What is the energy of the {110} surface in ZrO2?
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90 Degree Dislocation at the Ge/Si Interface:
(a) What is a core configuration of a 90 degree dislocation
at a Ge-Si interface.
(b) Can the formation of misfit dislocations be controlled
by manipulating the strain levels in the film?
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Segregation of Alloying Elements Near a Grain Boundary
(a) How to investigate segregation of alloying elements
(or impurities) near grain boundaries?
(b) What is a stress pattern near a grain boundary in Aluminum?
(c) How does the segregation affect the stress pattern
near the grain boundary in Aluminum?
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Mechanism of Nucleation of a Misfit Dislocation in FCC
Heterostructure.
(a) What is the mechanism of formation of misfit dislocations
in FCC Heterostructures?
(b) What are the intermediate configurations during evolution of
the misfit dislocation?
(c) What are the initial and final configurations?
(d) What is the first step in the nucleation of a misfit dislocation?
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Activation Energy for Migration of a 90 Degree
Dislocation in Silicon.
(a) What is an activation energy for migration of a 90 degree
dislocation in silicon?
(b) What is an intermediate configuration for a migrating
90 degree dislocation in Silicon?
(c) How does the activation energy for migration of a 90 degree
dislocation in Si compare with a 60 degree dislocation in Si?
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Five Fold Twinning (STAR Defect) in Diamond Film.
What is the core configuration of a "STAR" defect found in diamond films?
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Strain Field and Core Configuration of a 90 Degree
Dislocation in Silicon
(a) What is the orientation of a 90 degree dislocation in
Silicon?
(b) What is the core configuration of a 90 degree dislocation in
Silicon?
(c) Is the strain (or stress) field of this dislocation radially
symmetric?
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Interaction between the alloying or impurity
elements and a dislocation.
(a) Explain the interaction between a dislocation
and alloying elements or impurities.
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Formation of defects due to tensile stress and higher temperature
in an aluminum cell with a tilt grain boundary.
(a) What is the configuration of a tilt
boundary with 38.94 degree angle in Aluminum?
(b) What is the combined effect of tensile stress
and temperature on an Aluminum cell with this grain boundary?
What defects do these conditions form in the cell?
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Strain field of a sixty degree dislocation is Silicon
Q.: Describe the strain energy field of a sixty degree dislocation
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Boron atom segregation near a ninety degree dislocation
Q.: (a) What is the pattern of Boron atom segregation near a
60 degree dislocation in silicon?
(Show occupation probabilities of Boron atoms in the form of various color
contours. Smaller than silicon atom, boron atoms segregate in a
compressional side of the dislocation.
(b) Calculate the break-away stress for the dislocation.
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Vacancy Migration in NiO Grain Boundary
Q.: (a) What is the configuration of a 109.5 degree
tilt grain boundary in NiO?
(b) Calculate the migration energy of vacancy in
the grain boudnary plane.
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Crystallization of Amorphous Diamond
Q.: (a) How does amorphous Diamond crystallize?
Show the mechanism with a seed crystal.
(b) How does the amorphous diamond crystallize on Silicon substrate?
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Vacancy Migration in Silicon
What are the changes in configuration and
energy as the silicon atom migrates into the
neighboring vacant site?
Questions? Comments? Suggestions?
Send a note to Anjali Nandedkar at CASA Engineering
Anjali Nandedkar, Ph. D.
CASA Engineering
15 Dartantra Drive
Hopewell Junction
NY 12533
U.S.A
Tel. and FAX: (845) 226 - 1925
URL: http://www.casaengineering.com/
anjali@casaengineering.com
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