Multiscale Modeling of Grain Boundary Segregation and Embrittlement in Tungsten for Mechanistic Design of Alloys for Coal Fired Plants

Technical Report · Sun Sep 29 04:00:00 EDT 2013

DOI:https://doi.org/10.2172/1096566· OSTI ID:1096566

Luo, Jian ^[1]; Peng, Fei ^[2]; Tomar, Vikas ^[2]; Zhou, Naixie ^[2]; Lee, Hongsuk ^[3]

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1. Univ. of California, San Diego, CA (United States); Clemson University
2. Clemson Univ., SC (United States)
3. Purdue Univ., West Lafayette, IN (United States)

Based on a recent discovery of premelting-like grain boundary segregation in refractory metals occurring at high temperatures and/or high alloying levels, this project investigated grain boundary segregation and embrittlement in tungsten (W) based alloys. Specifically, new interfacial thermodynamic models have been developed and quantified to predict high-temperature grain boundary segregation in the W-Ni binary alloy and W-Ni-Fe, W-Ni-Ti, W-Ni-Co, W-Ni-Cr, W-Ni-Zr and W-Ni-Nb ternary alloys. The thermodynamic modeling results have been experimentally validated for selected systems. Furthermore, multiscale modeling has been conducted at continuum, atomistic and quantum-mechanical levels to link grain boundary segregation with embrittlement. In summary, this 3-year project has successfully developed a theoretical framework in combination with a multiscale modeling strategy for predicting grain boundary segregation and embrittlement in W based alloys.

• Research Organization: Clemson Univ., SC (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: FE0003892
• OSTI ID: 1096566
• Country of Publication: United States
• Language: English

Related Subjects

20 FOSSIL-FUELED POWER PLANTS
36 MATERIALS SCIENCE