Materials Modeling at the Atomic Scale

Avinash M. Dongare
NRC Research Associate
U.S. Army Research Office/North Carolina State University,

Email: amdongare@ncsu.edu


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aaaaaB. E. Govt. College of Engineering Pune (COEP), INDIA

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 RESEARCH INTERESTS

Development and application of advanced computational tools (molecular dynamics, Monte Carlo, density functional theory, mesoscale methods, etc.) for investigation of the behavior and properties of novel materials and structural elements for the emerging high-technology applications. The current areas of research are:

  • Mechanical properties of nanocrystalline metals, alloys and composites
  • Material response to shock loading and deformation at high strain rates
  • Growth and self assembly of nanostructures (quantum dots, nanowires)
  • Development of interatomic potentials for multi-component systems
  • Development of multiscale modeling methods to expand time and length scales
 HIGHLIGHTS
    The paper "Atomic scale simulations of ductile failure micromechanisms in nanocrystalline Cu at high strain rates," published in Physical Review B 80, 104108 (2009), has been selected for the October 5, 2009 issue of Virtual Journal of Nanoscale Science & Technology .

    One of the figures from this paper is displayed on the front page of the journal web site for Physical review B in the feature "Kaleidoscope" for September 2009.

  • Oral: Plastic Yield Criteria in Nanocrystalline Metals at High Strain Rates: An Atomistic Study
  • Oral: The Angular-Dependent Embedded Atom Method Potential for Atomistic Modeling of Metal-Covalent Systems
  • Oral: Atomic Scale Studies of Micro-Mechanisms related to Dynamic Failure in Ultra-Fine Grain Sized Nanocrystalline Metals
  • Poster: Atomic Scale Studies of Intermixing, Segregation, and Ordering Effects of Ge on Chemically Patterned Si Substrates

 

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