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First-principles study of grain boundary embrittlement in Fe–Ni–S alloy

✍ Scribed by Hideaki Sawada

Book ID
116376159
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
904 KB
Volume
55
Category
Article
ISSN
0927-0256

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The local density of states (LDOS) of electrons at grain boundaries of iron with or flout segregation ~h~ho~ or boron) was calculated. The grain boundary structures constructed by using empirical atomic pair potentials were used as the model systems. The hopping integrals were calculated by using th