First Principles and Multi-Scale Modeling of the Roles of Impurities and Dopants on thermal Barrier Coating Failure

Abstract

Prevention or at least delay of thermal barrier coating failure Is the main objective of this research, In order to increase the service lifetimes of aircraft engines. To this end, It is critical to first understand mechanisms of failure, and then use that insight to design materials countermeasures. This grant supported the following research efforts in those directions: * Developments of a new pseudo potential theory and a solid state transition path search algorithm. * Applications of first principles density functional theory to * metal-ceramic, silicon-ceramic, and ceramic-ceramic interfaces * dopants placed between alumina and late transition metals, with implications for catalysis * fatigue in silicon and alumina * temperature hysteresis in the monoclinic-to- tetragonal phase transformation pathway for zirconia * dopants and impurities on a NiAl alloy * understanding the stability of early-late transition metal intermetallics.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 2004
Accession Number
ADA431778

Entities

People

  • Emily A. Carter

Organizations

  • University of California, Los Angeles

Tags

Communities of Interest

  • Advanced Electronics
  • Air Platforms

DTIC Thesaurus Topics

  • Aircrafts
  • Algorithms
  • Barrier Coatings
  • Catalysis
  • Chemical Engineering
  • Chemical Reactions
  • Chemistry
  • Density Functional Theory
  • Elements
  • Materials
  • Mechanical Properties
  • Metals
  • Phase Transformations
  • Silicon Dioxide
  • Transition Metals
  • Transitions
  • Turbines

Fields of Study

  • Materials science

Readers

  • International Relations, focusing on Korea-Africa and North Korea-South Korea relations, and Nigeria-Latin American Relations.
  • Materials Science and Engineering.
  • Powder metallurgy of Titanium alloys.