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Title: GRAIN BOUNDARY STRENGTHENING PROPERTIES OF TUNGSTEN ALLOYS

Book ·
OSTI ID:1055406

Density functional theory was employed to investigate grain boundary (GB) properties of W alloys. A range of substitutional solutes across the Periodic Table was investigated to understand the behavior of different electronic orbitals in changing the GB cleavage energy in the Σ27a[110]{525} GB. A number of transition metals were predicted to enhance the GB cohesion. This includes Ru, Re, Os, Ir, V, Cr, Mn, Fe, Co, Ti, Hf, Ta and Nb. While lanthanides, s and p elements were tended to cause GB embrittlement.

Research Organization:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
1055406
Report Number(s):
PNNL-SA-89842; 45390; AT6020100
Resource Relation:
Related Information: Fusion Reactor Materials Program Semiannual Progress Report for Period Ending June 30, 2012 , 52:82-88
Country of Publication:
United States
Language:
English

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