Effect of symmetrical tilt grain boundary on the compatibility between copper and liquid lithium: Atomistic simulations

2020 ◽  
Vol 835 ◽  
pp. 155212
Author(s):  
Chao Xu ◽  
Jun Wei ◽  
Bowen Huang ◽  
Xiancai Meng ◽  
Shifang Xiao ◽  
...  
1996 ◽  
Vol 460 ◽  
Author(s):  
Diana Farkas

ABSTRACTWe present atomistic simulations of the crack tip configuration near a high angle Σ= 5 [001](210) symmetrical tilt grain boundary in NiAl. The simulations were carried out using molecular statics and embedded atom (EAM) potentials. The cracks are stabilized near a Griffith condition involving the cohesive energy of the grain boundary. The atomistic configurations of the tip region are different in the presence of the high angle grain boundary than in the bulk. Three different configurations of the grain boundary were studied corresponding to different local compositions. It was found that in ordered NiAl, cracks along symmetrical tilt boundaries show a more brittle behavior for Al rich boundaries than for Ni-rich boundaries. Lattice trapping effects in grain boundary fracture were found to be more significant than in the bulk.


2011 ◽  
Vol 46 (12) ◽  
pp. 4162-4168 ◽  
Author(s):  
T. Mitsuma ◽  
T. Tohei ◽  
N. Shibata ◽  
T. Mizoguchi ◽  
T. Yamamoto ◽  
...  

2004 ◽  
Vol 10 (S02) ◽  
pp. 282-283
Author(s):  
Gunther Richter ◽  
Steffen Schmidt ◽  
Wilfried Sigle ◽  
Manfred Rühle

Extended abstract of a paper presented at Microscopy and Microanalysis 2004 in Savannah, Georgia, USA, August 1–5, 2004.


2019 ◽  
Vol 756 ◽  
pp. 389-395 ◽  
Author(s):  
Zhengbing Xiao ◽  
Jiawei Hu ◽  
Yu Liu ◽  
Fang Dong ◽  
Yuanchun Huang

Author(s):  
V. Ravikumar

Strontium titanate is an important electroceramic material which, under appropriate processing and dopant additions exhibits both varistor and Grain Boundary Layer Capacitor (GBLC) behavior. The presence of electrically active grain boundaries is essential for obtaining these properties. The first step towards correlating the grain boundary structure to properties is to determine the detailed atomic structure of the boundary, which includes its geometric structure, chemistry and electronic structure. We present here our TEM investigation of the atomic structure of an undoped (“pristine”) symmetrical tilt grain boundary in SrTiO3. This provides the basic reference structure, changes to which can be studied as a function of doping and/or processing parameters, and correlated to electrical and dielectric properties.Self-supported TEM samples were made from bicrystals of SrTiO3 through the conventional sample preparation route. Fig. 1 shows a high resolution electron micrograph (Hitachi H9000) of a representative grain boundary region in the sample.


2019 ◽  
Vol 21 (35) ◽  
pp. 19437-19446
Author(s):  
Zhengbing Xiao ◽  
Jiawei Hu ◽  
Yu Liu ◽  
Fang Dong ◽  
Yuanchun Huang

The research into the co-segregation behavior of Sc and Zr solutes and their effect on the mechanical properties of the Al Σ5 (210) [110] grain boundary was carried out by first principles calculations.


Sign in / Sign up

Export Citation Format

Share Document