Fast grain boundary diffusion and surface exchange reactions at active surface sites of polycrystalline materials

2006 ◽  
Vol 8 (22) ◽  
pp. 2629 ◽  
Author(s):  
Wolfgang Preis
Keyword(s):  
Grain Boundary ◽  
Boundary Diffusion ◽  
Active Surface ◽  
Grain Boundary Diffusion ◽  
Polycrystalline Materials ◽  
Exchange Reactions ◽  
Surface Exchange ◽  
Surface Sites ◽  
Active Surface Sites

Structure and Properties of Polycrystalline Materials From Simulation: An Interfacial Perspective

1999 ◽  
Vol 586 ◽  
Author(s):  
S. R. Phillpot ◽  
P. Keblinski ◽  
D. Wolf ◽  
F. Cleri
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Boundary Diffusion ◽  
Simulation Method ◽  
High Energy ◽  
Grain Boundary Diffusion ◽  
Dynamics Simulation ◽  
Polycrystalline Materials ◽  
Diffusion Creep ◽  
Fcc Metals

ABSTRACTWe have recently developed a novel molecular-dynamics simulation method to grow polycrystals from a melt containing randomly oriented crystalline seeds. The resulting microstructures contain only randomly oriented (i.e., high-energy) grain boundaries. We find that these grain boundaries, which are highly constrained by their close proximity to grain junctions, are highly disordered in fcc metals and amorphous in silicon. From simulations of infinitely extended high-energy grain boundaries in bicrystals, we find that such highly disordered and amorphous grain boundaries are actually the thermodynamic ground state; by contrast, low-energy grain boundaries are crystalline. High-energy grain boundaries in diamond, however, are structurally ordered at the expense of a significant amount of graphite-like bonding. We show that these complex grain boundary structures have important effects on properties including grain boundary diffusion (fcc metals and silicon), grain boundary diffusion creep (silicon) and grain boundary electrical activity and strength (diamond). The implications for engineering materials with prescribed properties are discussed.

Effect of Surface and Grain-Boundary Diffusion on Interconnect Reliability

1995 ◽  
Vol 391 ◽  
Author(s):  
L. M. Klinger ◽  
E. E. Glickman ◽  
V. E. Fradkov ◽  
W. W. Mullins ◽  
C. L. Bauer
Keyword(s):  
Grain Size ◽  
Steady State ◽  
Grain Boundary ◽  
Boundary Diffusion ◽  
Grain Boundary Diffusion ◽  
Polycrystalline Materials ◽  
Interconnect Reliability ◽  
The Stability ◽  
Boundary Flux ◽  
Effect Of Surface

AbstractThe effect of surface and grain-boundary diffusion on interconnect reliability is addressed by extending the theory of thermal grooving to arbitrary grain-boundary flux. For a periodic array of grain boundaries, three regimes are identified: (1) equilibrium, (2) global steady state, and (3) local steady state. These regimes govern the stability of polycrystalline materials subjected to large electric (electromigration) or mechanical (stress voiding) fields, especially in thin films where grain size approximates film thickness.

Diffusion at Short Circuits: State of the Art

2010 ◽  
Vol 297-301 ◽  
pp. 1267-1283 ◽  
Author(s):  
Boris S. Bokstein
Keyword(s):  
Solid State ◽  
Grain Boundary ◽  
Boundary Diffusion ◽  
Boundary Segregation ◽  
Grain Boundary Diffusion ◽  
Polycrystalline Materials ◽  
Solid State Diffusion ◽  
Diffusion Parameters ◽  
State Diffusion ◽  
Fisher Model

Evidence for solid-state diffusion (the second half of the 19th century). The first measurements of solid state diffusion (W. Roberts-Austen, 1896–1922). The first tracer experiments to determine the solid-state diffusion (G. von Hevesy, 1913–1923). The first evidence of accelerated diffusion in polycrystalline materials (1924–1935). Autoradiographic studies of grain boundary diffusion (50s of 20th century). The first quantitative experimental and theoretical studies of the “short circuiting” diffusion (beginning from 1949, D. Turnbull and R. Hoffman – General Electric Research Lab.): radiotracer serial sectioning method, the Fisher model (1951) for grain boundary diffusion, exact solutions and developments of the Fisher model (1954–1963). The progress in the experimental methods for determination of grain boundary diffusion data and results of measurements for different metallic systems (up to date). The measurements of grain boundary diffusion parameters in the B and C regimes. Grain boundary diffusion and grain boundary segregation. Nonlinear segregation effects. Structural effects of grain boundary diffusion. Diffusion in bicrystals. Diffusion in nanocrystals. Computer simulation of grain boundary diffusion. Mechanisms of grain boundary diffusion.

The Effect of Microstructural Inhomogeneity on Grain Boundary Diffusion Creep

2005 ◽  
Vol 875 ◽  
Author(s):  
Kanishk Rastogi ◽  
Dorel Moldovan
Keyword(s):  
Stress Distribution ◽  
Grain Boundary ◽  
Grain Boundaries ◽  
Boundary Diffusion ◽  
Grain Boundary Diffusion ◽  
Polycrystalline Materials ◽  
Diffusion Creep ◽  
Stress Concentrations ◽  
Microstructural Inhomogeneity ◽  
Coble Creep

AbstractStress concentration at grain boundaries (GB), a phenomena arising from microstructural inhomogeneity, is an important factor in determining the mechanical properties of polycrystalline materials. In this study we use mesoscopic simulations to investigate characteristics of the deformation mechanism of grain-boundary diffusion creep (Coble creep) in a polycrystalline material. The stress distribution along the grain boundaries in a polycrystalline solid under externally applied stress is determined and the mechanism of how topological inhomogeneities introduce stress concentrations is investigated. Microstructures with inhomogeneities of various sizes and distributions are considered and their effect on the stress distribution and creep rate is quantified.

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