Analogous to nickel-based superalloys, Fe-based superalloys, which are strengthened by coherent B2- type precipitates are proposed for elevated-temperature applications. During the period of this project, a series of ferritic superalloys have been designed and fabricated by methods of vacuum-arc melting and vacuum-induction melting. Nano-scale precipitates were characterized by atom-probe tomography, ultrasmall- angle X-ray scattering, and transmission-electron microscopy. A duplex distribution of precipitates was found. It seems that ferritic superalloys are susceptible to brittle fracture. Systematic endeavors have been devoted to understanding and resolving the problem. Factors, such as hot rolling, precipitate volume fractions, alloy compositions, precipitate sizes and inter-particle spacings, and hyperfine cooling precipitates, have been investigated. In order to understand the underlying relationship between the microstructure and creep behavior of ferric alloys at elevated temperatures, in-situ neutron studies have been carried out. Based on the current result, it seems that the major role of β΄ with a 16%-volume fraction in strengthening ferritic alloys is not load sharing but interactions with dislocations. The oxidation behavior of one ferritic alloy, FBB8 (Fe-6.5Al-10Ni-10Cr-3.4Mo-0.25Zr-0.005B, weight percent), was studied in dry air. It is found that it possesses superior oxidation resistance at 1,023 and 1,123 K, compared with other creep-resistant ferritic steels [T91 (modified …

This project is a continuation of a long program supported by the Office of Basic Energy Science in the Office of Science of DOE for many years. The final three-year continuation started on November 1, 2005 with additional 1 year extension to October 30, 2009. The project was then granted a two-year No Cost Extension which officially ended on October 30, 2011. This report covers the activities within this six year period with emphasis on the work completed within the last 3 years. A total of 44 papers with acknowledgement to this grant were published or submitted. The overall objectives of this project are as follows. These objectives have been evolved over the six year period: (1) To use the state-of-the-art computational methods to investigate the electronic structures of complex ceramics and other novel crystals. (2) To further investigate the defects, surfaces/interfaces and microstructures in complex materials using large scale modeling. (3) To extend the study on ceramic materials to more complex bioceramic crystals. (4) To initiate the study on soft condensed matters including water and biomolecules. (5) To focus on the spectroscopic studies of different materials especially on the ELNES and XANES spectral calculations and their applications related to …