COLLABORATIVE RESEARCH AND DEVELOPMENT (CR&D) Delivery Order 0070: Ab-initio Modeling of Slippery Hexagonal Solids

Abstract

This research in support of the Air Force Research Laboratory Materials and Manufacturing Directorate was conducted at Wright-Patterson AFB, Ohio from 18 April 2007 through 17 March 2008. This task worked to develop, validate, and explore the models of slippery hexagonal lattice solids using ab initio density function theory (DFT) calculations. The various mechanical, electronic, and other properties of the following hexagonal slippery solids were evaluated: Lattice constants, a, c; Elastic Constants, C11, C12, C33, C44, C13, C66L; Density of States (DOS); Local Density of States (LDOS); Band Structures; Voigt, Reuss, Hill Bulk Moduli, Bv, Br, Bh; Voight, Reuss, Hill Shear Moduli, Gv, Gr, Gh; Poisson's Ratio sigma; Young's Modulus, E; and Relationships with Coefficient of friction, u. The results are shown in appropriate tables.

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Document Details

Document Type
Technical Report
Publication Date
May 01, 2008
Accession Number
ADA530605

Entities

People

  • Sanjsy V. Khare

Organizations

  • Universal Technology Corporation (United States)

Tags

DTIC Thesaurus Topics

  • Air Force
  • Air Force Facilities
  • Air Force Research Laboratories
  • Band Structures
  • Bulk Modulus
  • Coefficients
  • Energy Bands
  • Friction
  • Government Procurement
  • Governments
  • Manufacturing
  • Materials
  • Mechanical Properties
  • Military Research
  • Modulus Of Elasticity
  • Shear Modulus
  • Shear Strength

Readers

  • Aerospace Research.
  • Materials Science and Engineering.
  • Quantum Chemistry

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene