Accession Number:

ADA371608

Title:

Microscopic Modeling Of Nanotribology, Elastohydrodynamics, Lubrication and Interfacial Structures

Descriptive Note:

Final rept. 1 Aug 96-31 Jul 99

Corporate Author:

GEORGIA INST OF TECH ATLANTA SCHOOL OFPHYSICS

Personal Author(s):

Report Date:

1999-10-28

Pagination or Media Count:

20.0

Abstract:

The research program focused on formulation, development, implementation and application of novel modeling and large-scale atomistic classical and quantum molecular dynamics simulations, for investigations of critical issues in areas of basic and technological importance. These studies include atomic-scale processes and mechanisms underlying tribological phenomena and thin-film lubrication mechanical, electronic and transport properties of nanoscale interfacial junctions structure and thermodynamics of noncrystalline systems and surface diffusion of adsorbed nanoclusters. Research achievements include 1 Development of a grand-canonical molecular dynamics simulation method allowing large-scale studies of structure, dynamics, rheology and lubrication mechanisms in narrow junctions 2 Comparative simulations of model lubricants characterized by different molecular shapes, sizes and structural complexity, resulting in ellucidation of the energetic and entropic origins of layering transitions and solvation force oscillations in lubricated junctions under high loads 3 Discovery of a novel method for controlling and reducing friction, as well as suppression of stick-slip behavior in lubricated junctions, achieved through application of small amplitude oscillations to the sliding surfaces normal to the shear plane and 4 Simulations and discovery of enhanced surface diffusion of large clusters, e.g., gold nanocrystallites with over one hundred atoms adsorbed on graphite, occurring through a collective slip-diffusion mechanism.

Subject Categories:

  • Lubricants and Hydraulic Fluids
  • Atomic and Molecular Physics and Spectroscopy
  • Mechanics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE