What Can You Simulate With ADESH?

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.



Materials with Metallic Bonding (Metals)
Materials with Covalent Bonding (Electronic Materials)
Materials with Ionic Bonding (Ceramics)
Pure Elements (Entire Periodic Table)
Compounds (ZrO2, YBCO, GaAs etc.)
Bulk Materials
Thin Film/Substrate Systems
All Fourteen Bravais Lattices: Unit cells with multiple elements
Alloys
DEFECTS:
  • Vacancies
  • Impurities
  • Dislocations
  • Grain Boundaries
  • Stacking Faults
  • Hetero-Structures
  • Voids
  • Precipitates ..... ETC.
Strain In Crystals
Any Orientation

What Can You Calculate with ADESH?

Compute ideal cells and include defects. Calculate energy with a suitable potential function. Minimize the energy of the cell with an appropriate numerical technique (Static, Monte-Carlo, Simulated Annealing, Swap, Random Walk).

  • Core Configurations of Defects

  • Segregation of Point Defects

  • Migration Energies of Defects

  • Effect of Alloying Elements of Materials Properties

  • Nucleation of Defects

  • Effect of Strain on Defect Nucleation

  • Statistical Evaluation of Defects

  • Processing Strategies to Achieve Defect Control

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.: (845) 226 - 1925

anjali@casaengineering.com
 URL: http://www.casaengineering.com/

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