Failure mode in first-principles computational tensile tests of grain boundaries: effects of a bulk-region size, dominant factors, and local-energy and local-stress analysis

2019 ◽  
Vol 31 (9) ◽  
pp. 095001 ◽  
Author(s):  
Hao Wang ◽  
Masanori Kohyama ◽  
Shingo Tanaka ◽  
JinKai Wang ◽  
Ying Chen
Keyword(s):  
Stress Analysis ◽  
Grain Boundaries ◽  
Failure Mode ◽  
First Principles ◽  
Local Stress ◽  
Tensile Tests ◽  
Local Energy ◽  
Bulk Region ◽  
Region Size

1002 First-Principles Analysis of Local Energy and Local Stress : Applications to Metallic Grain Boundaries and Defects

2012 ◽  
Vol 2012.25 (0) ◽  
pp. 492-493
Author(s):  
Masanori KOHYAMA ◽  
Hao WANG ◽  
Shingo TANAKA ◽  
Yoshinori SHIIHARA ◽  
Shoji ISHIBASHI
Keyword(s):  
Grain Boundaries ◽  
First Principles ◽  
Local Stress ◽  
Local Energy

Ab initio perspective of the 〈110〉 symmetrical tilt grain boundaries in bcc Fe: application of local energy and local stress

2014 ◽  
Vol 49 (11) ◽  
pp. 3980-3995 ◽  
Author(s):  
Somesh Kr. Bhattacharya ◽  
Shingo Tanaka ◽  
Yoshinori Shiihara ◽  
Masanori Kohyama
Keyword(s):  
Ab Initio ◽  
Grain Boundaries ◽  
Local Stress ◽  
Local Energy ◽  
Symmetrical Tilt

Fast and scalable prediction of local energy at grain boundaries: machine-learning based modeling of first-principles calculations

2017 ◽  
Vol 25 (7) ◽  
pp. 075003 ◽  
Author(s):  
Tomoyuki Tamura ◽  
Masayuki Karasuyama ◽  
Ryo Kobayashi ◽  
Ryuichi Arakawa ◽  
Yoshinori Shiihara ◽  
...  
Keyword(s):  
Machine Learning ◽  
Grain Boundaries ◽  
First Principles ◽  
Local Energy ◽  
First Principles Calculations

009 Ab Initio Local-Energy and Local-Stress Analysis of Fe/TiC Interfaces

2015 ◽  
Vol 2015.28 (0) ◽  
pp. _009-1_-_009-2_
Author(s):  
Masanori KOHYAMA ◽  
Vikas SHARMA ◽  
Shingo TANAKA ◽  
Yoshinori SHIIHARA
Keyword(s):  
Ab Initio ◽  
Stress Analysis ◽  
Local Stress ◽  
Local Energy

Sulfur Effects on High-Temperature Creep and Fracture Behavior of 25Cr35Ni-Nb Alloys

2013 ◽  
Author(s):  
Tao Chen ◽  
Xuedong Chen ◽  
Juan Ye ◽  
Xiyun Hao
Keyword(s):  
Elevated Temperature ◽  
Grain Boundaries ◽  
Fracture Behavior ◽  
Elevated Temperatures ◽  
Rupture Life ◽  
Local Stress ◽  
Tensile Tests ◽  
Creep Rupture ◽  
Scanning Electron Micrographs ◽  
Nucleation Sites

Centrifugal cast 25Cr35Ni-Nb alloy furnace tubes with different contents of S are selected to investigate effects of S addition on creep and fracture behavior. Rupture tests in air at 1100 °C and 17 MPa and slow rate tensile tests at 850 °C showed that the presence of S decreased the creep rupture life and elevated temperature ductility of 25Cr35Ni-Nb alloy obviously. Scanning electron micrographs (SEM) of the fracture and energy dispersive X-ray spectroscopy (EDS) analysis results indicated that S was the important element to control creep rupture life and elevated temperature ductility. S segregated to grain boundaries at elevated temperatures, blocky fine sulfide particles with smooth surface distribute on the grain boundaries. The presence of sulfides became effective nucleation sites for intergranular creep cavities. Micro cracks occurred by linking up cavities at elevated temperatures due to local stress concentration. Eventually, early failure happened.

scholarly journals First-Principles Tensile Tests of Tilt and Twist Grain Boundaries in Al

2012 ◽  
Vol 53 (1) ◽  
pp. 140-146 ◽  
Author(s):  
Ru-Zhi Wang ◽  
Shingo Tanaka ◽  
Masanori Kohyama
Keyword(s):  
Grain Boundaries ◽  
First Principles ◽  
Tensile Tests
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