A5010372468- Nuclear Materials and Properties
- Nuclear materials and radiation effects
- Radioactive element chemistry and processing
- Nuclear reactor physics and engineering
- Fusion materials and technologies
- Intermetallics and Advanced Alloy Properties
- Rare-earth and actinide compounds
- High Entropy Alloys Studies
- High-Temperature Coating Behaviors
- Advanced ceramic materials synthesis
- Advanced Materials Characterization Techniques
- MXene and MAX Phase Materials
- Advanced materials and composites
- Advancements in Solid Oxide Fuel Cells
- Catalytic Processes in Materials Science
- Inorganic Chemistry and Materials
- Electronic and Structural Properties of Oxides
- Semiconductor materials and interfaces
- Aluminum Alloys Composites Properties
- Thermodynamic and Structural Properties of Metals and Alloys
- Nuclear Physics and Applications
- High-pressure geophysics and materials
- Boron and Carbon Nanomaterials Research
- Hydrogen Storage and Materials
- High Temperature Alloys and Creep
Bangor University
2018-2024
Australian Nuclear Science and Technology Organisation
2012-2020
Westinghouse Electric (Sweden)
2012-2020
Westinghouse Electric (United States)
2015-2020
National Institute of Advanced Industrial Science and Technology
2020
KTH Royal Institute of Technology
2017-2018
Westinghouse Electric (Japan)
2018
Imperial College London
2011-2017
Google (United States)
2015
Lucas Research
2015
Abstract The M n + 1 AX phases (M = early transition metal; A group element and X C N) are materials exhibiting many important metallic ceramic properties. In the present study powder processing experiments density functional theory calculations employed in parallel to examine formation of Zr 2 (Al 1−x Bi x )C (0 ≤ 1). Here we show that particularly with ≈ 0.58, can be formed from powders even though end members BiC AlC seemingly cannot. This represents a significant extension MAX phase...
We have determined the energetics of defect formation and migration in M n +1 AX phases with = Ti, A Si or Al, X C, 3 using density functional theory calculations. In Ti SiC 2 structure, resulting Frenkel energies are 6.5 eV for , 2.6 2.9 C. All three interstitial species reside within layer C particular is coordinated to atoms a triangular configuration (C–Si 1.889 Å) two apical (C–Ti 2.057 Å). This carbon–metal bonding typical TiC binary carbides. Antisite defects were also considered,...
Atomic scale simulations are used to predict how excess oxygen is accommodated across the group II monoxides. In all cases, preference form a peroxide ion centered at an site, rather than single species, although ionic orientation changes from <100> <110> <111> with increasing host cation radius. The enthalpy for accommodation of in BaO strongly negative, whereas SrO it only slightly negative and CaO MgO energy positive. Interestingly, increase material volume due (the...
We have studied the long-range average and local structures in Y2Sn2–xZrxO7 (x = 0–2.0) using synchrotron X-ray powder diffraction absorption spectroscopy, respectively, by theoretical methods. While data indicate a clear phase transition from ordered pyrochlore to disordered defect-fluorite at x ∼ 1.0–1.2, near-edge structure (XANES) results Zr L3- Y L2-edges reveal gradual structural evolution across whole compositional range. These findings provide experimental evidence that disorder...
The equiatomic TiZrNbHfTa high entropy alloy (HEA) and its hydrides (TiZrNbHfTaH0.4- 2.0) have been modelled at the atomic scale phase transformations that occur during hydrogen absorption simulated. thermodynamics of vacancy formation, accommodation hydride decomposition examined using density functional theory, linking results to experimental investigations. A model predicting TiZrNbHfTaH system is proposed based on temperature dependence configurational vibrational terms solution energies...
Assessment of grain boundaries in chromia (Cr2O3) doped fuels has been carried out using high resolution transmission electron microscopy to assess the structure compared undoped fuel produced via same process. Chemical analysis boundary was Energy Dispersive X-ray Spectroscopy (EDS). It shown that a relatively disordered phase is formed along and they were chemically enriched chromium. This implications for prediction understanding manufacture in-reactor behaviour as many processes are...
This work is a first assessment of the radiation tolerance nanolayered ternary carbides (MAX phases), Zr3AlC2, Nb4AlC3 and (Zr0.5,Ti0.5)3AlC2, using proton irradiation followed by post-irradiation examination based primarily on x-ray diffraction analysis. These specific MAX phase compounds are being evaluated as candidate coating materials for fuel cladding applications in advanced nuclear reactor systems. The aim to protect substrate material from corrosion damage during its exposure...