Understanding the Mechanistic Role of Grain Boundaries on the Strength and Deformation of Nanocrystalline Metals using Atomistic Simulations

2021 ◽  
Author(s):  
Satish Rajaram
Keyword(s):  
Grain Boundaries ◽  
Atomistic Simulations ◽  
Nanocrystalline Metals ◽  
Strength And Deformation

Analysis of Oxygen Vacancy Trapping at [001] Symmetric Tilt Grain Boundaries in Barium Titanate by Atomistic Simulations

2010 ◽  
Vol 445 ◽  
pp. 39-42 ◽  
Author(s):  
Takashi Oyama ◽  
Nobuyuki Wada ◽  
Hiroshi Takagi
Keyword(s):  
Barium Titanate ◽  
Grain Boundaries ◽  
Atomistic Simulation ◽  
Oxygen Vacancies ◽  
Atomistic Simulations ◽  
Multilayer Ceramic Capacitors ◽  
Simulation Techniques ◽  
Electrical Degradation ◽  
Symmetric Tilt

The role of grain boundaries (GBs) in the diffusion of oxygen vacancies (VO••s) in barium titanate (BaTiO3) and its mechanism were investigated using atomistic simulation techniques. It was found that GBs trapped VO••s at specific sites in the course of the diffusion, and the excess energy reflecting structural distortion of the GB was closely related to the availability of the trapping. GBs therefore act as a resistance of the diffusion of VO••s, suggesting that electrical degradation of multilayer ceramic capacitors (MLCCs), which is derived from vacancy diffusion, enables to be additionally improved by controlling GB structures in BaTiO3-based dielectrics.

Elucidation of block boundaries as the dissolution channels in hydrated cement

1978 ◽  
Vol 36 (1) ◽  
pp. 484-485
Author(s):  
N.V. Belov ◽  
U.I. Papiashwili ◽  
B.E. Yudovich
Keyword(s):  
Liquid Phase ◽  
Grain Boundaries ◽  
Benzoyl Peroxide ◽  
Phase Contrast ◽  
Active Role ◽  
Point Of View ◽  
Hardened Cement ◽  
Hydrated Cement ◽  
Hardened Cement Paste

It has been almost universally adopted that dissolution of solids proceeds with development of uniform, continuous frontiers of reaction.However this point of view is doubtful / 1 /. E.g. we have proved the active role of the block (grain) boundaries in the main phases of cement, these boundaries being the areas of hydrate phases' nucleation / 2 /. It has brought to the supposition that the dissolution frontier of cement particles in water is discrete. It seems also probable that the dissolution proceeds through the channels, which serve both for the liquid phase movement and for the drainage of the incongruant solution products. These channels can be appeared along the block boundaries.In order to demonsrate it, we have offered the method of phase-contrast impregnation of the hardened cement paste with the solution of methyl metacrylahe and benzoyl peroxide. The viscosity of this solution is equal to that of water.

Carbide precipitation and chromium depletion on coherent twin boundaries in deformed 304 stainless steels

1992 ◽  
Vol 50 (2) ◽  
pp. 1216-1217
Author(s):  
A.H. Advani ◽  
L.E. Murr ◽  
D.J. Matlock ◽  
W.W. Fisher ◽  
P.M. Tarin ◽  
...  
Keyword(s):  
Grain Boundaries ◽  
Stainless Steels ◽  
Interfacial Free Energy ◽  
Carbide Precipitation ◽  
Twin Boundaries ◽  
Invariant Structure ◽  
Heat Treated ◽  
Constant Structure ◽  
Cr Depletion

Coherent annealing-twin boundaries are constant structure and energy interfaces with an average interfacial free energy of ∼19mJ/m2 versus ∼210 and ∼835mJ/m2 for incoherent twins and “regular” grain boundaries respectively in 304 stainless steels (SS). Due to their low energy, coherent twins form carbides about a factor of 100 slower than grain boundaries, and limited work has also shown differences in Cr-depletion (sensitization) between twin versus grain boundaries. Plastic deformation, may, however, alter the kinetics and thermodynamics of twin-sensitization which is not well understood. The objective of this work was to understand the mechanisms of carbide precipitation and Cr-depletion on coherent twin boundaries in deformed SS. The research is directed toward using this invariant structure and energy interface to understand and model the role of interfacial characteristics on deformation-induced sensitization in SS. Carbides and Cr-depletion were examined on a 20%-strain, 0.051%C-304SS, heat treated to 625°C-4.5h, as described elsewhere.

scholarly journals Internal melt figures in ice by rapid adiabatic compression

1994 ◽  
Vol 40 (134) ◽  
pp. 132-134
Author(s):  
R.E. Gagnon ◽  
C. Tulk ◽  
H. Kiefte
Keyword(s):  
Phase Transformations ◽  
Grain Boundaries ◽  
Single Crystals ◽  
Adiabatic Compression ◽  
Air Bubbles ◽  
Water Ice ◽  
Deep Focus ◽  
And Behavior ◽  
First Time

AbstractSingle crystals and bicrystals of water ice have been adiabatically pressurized to produce, and clearly illustrate, two types of internal melt figures: (1) dendritic figures that grow from nucleation imperfections on the specimen’s surface, or from air bubbles at grain boundaries, into the ice as pressure is elevated; and (2) compression melt fractures, flat liquid-filled disks, that nucleate at imperfections in the crystal and grow with the application of pressure eventually to sprout dendritic fingers at the periphery. The transparency of the ice permitted visualization of the growth and behavior of the figures, and this could be an important tool in understanding the role of phase transformations in deep-focus earthquakes. Correlation between figure size and pressure is noted for the first time.

scholarly journals Role of Grain Boundaries in diffusional Phenomena during Gas Nitriding of Pure Iron

2011 ◽  
Vol 10 ◽  
pp. 2943-2948 ◽  
Author(s):  
S. Fare ◽  
N. Lecis ◽  
E. Brescia ◽  
M. Mazzola
Keyword(s):  
Grain Boundaries ◽  
Pure Iron ◽  
Gas Nitriding

Microstructure of Polycrystalline MgO Penetrated by a Silicate Liquid

1996 ◽  
Vol 2 (3) ◽  
pp. 113-128 ◽  
Author(s):  
Sundar Ramamurthy ◽  
Michael P. Mallamaci ◽  
Catherine M. Zimmerman ◽  
C. Barry Carter ◽  
Peter R. Duncombe ◽  
...  
Keyword(s):  
Grain Boundaries ◽  
Grain Growth ◽  
Glassy Phase ◽  
Silicate Liquid ◽  
Two Phase ◽  
The Matrix ◽  
Devitrification Process ◽  
Phase Mixture

Dense, polycrystalline MgO was infiltrated with monticellite (CaMgSiO4) liquid to study the penetration of liquid along the grain boundaries of MgO. Grain growth was found to be restricted with increasing amounts of liquid. The inter-granular regions were generally found to be comprised of a two-phase mixture: crystalline monticellite and a glassy phase rich in the impurities present in the starting MgO material. MgO grains act as seeding agents for the crystallization of monticellite. The location and composition of the glassy phase with respect to the MgO grains emphasizes the role of intergranular liquid during the devitrification process in “snowplowing” impurities present in the matrix.

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