Molecular Orbitals and the Atomistics of Fracture.
MASSACHUSETTS INST OF TECH CAMBRIDGE DEPT OF MATERIALS SCIENCE AND ENGINEERING
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Self-consistent-field Xalpha scattered-wave SCF-Xa-SW cluster molecular-orbital models have been constructed for grain-boundary embrittlement of metals. Two specific examples are presented 1 the embrittlement of nickel by sulfur and 2 the embrittlement of iron by hydrogen. Author
- Metallurgy and Metallography