A5070022204- Aluminum Alloy Microstructure Properties
- Aluminum Alloys Composites Properties
- High Temperature Alloys and Creep
- Microstructure and mechanical properties
- Metal and Thin Film Mechanics
- Electrochemical sensors and biosensors
- Advanced materials and composites
- Conducting polymers and applications
- Electrochemical Analysis and Applications
- Advanced Materials Characterization Techniques
- Nuclear Materials and Properties
- Fusion materials and technologies
- Hydrogen embrittlement and corrosion behaviors in metals
- Supramolecular Chemistry and Complexes
- Additive Manufacturing Materials and Processes
- Intermetallics and Advanced Alloy Properties
- Titanium Alloys Microstructure and Properties
- Graphite, nuclear technology, radiation studies
- Metal Alloys Wear and Properties
- Metallurgical Processes and Thermodynamics
- Magnesium Oxide Properties and Applications
- Advanced biosensing and bioanalysis techniques
- Diamond and Carbon-based Materials Research
- Microstructure and Mechanical Properties of Steels
- Analytical Chemistry and Sensors
Brunel University of London
2021-2024
The University of Texas at Austin
2024
National Institute for Materials Science
2017-2020
Osaka Prefecture University
2015-2016
Japan Science and Technology Agency
2016
Centre for Research in Engineering Surface Technology
2015
Single-crystal elastic constants of bcc iron and bct Fe–C Fe–N alloys (martensites) have been evaluated by ab initio calculations based on the density-functional theory. The energy a strained crystal has computed using supercell method at several values strain intensity, stiffness coefficient determined from slope versus square-of-strain relation. Some third-order also evaluated. absolute magnitudes calculated for are in fair agreement with experiment, including constants, although...
This review systematically analyzes over 200 publications to explore the growing role of data-driven methods and their potential benefits in accelerating alloy development. The presents a comprehensive overview different aspects innovation by machine learning other computational approaches used recent years. These harness power advanced simulation techniques data analytics expedite materials' discovery, predict properties, optimize performance. Through analysis, significant trends...
Abstract The effect of mixed partial occupation metal sites on the phase stability γ-Cr 23− x Fe C 6 ( = 0–3) carbides is explored as function composition and temperature. Ab initio calculations combined with statistical thermodynamics approaches reveal that site may be incorrectly predicted when only commonly used approach full sublattice considered. We found γ-M 23 structure can understood a familiar sodium chloride positively charged rhombic dodecahedron (M (4a) M 12 (48h) ) negatively...
In this work, we investigate Cu solution in θ-Al13Fe4 and related Al-rich ω-Al7Cu2Fe Al2Cu phases the Al-Cu-Fe system using first-principles density functional theory (DFT) with on-site Coulomb interaction correction. The results show preference of at Al7, forming a ternary θ-Al76Cu2Fe24 ambient conditions, both Al7 Al9 sites (in Grin’s note), θ-(Al76−xCu2+x)Fe24 high temperature. relative stability compounds their crystal electronic properties are investigated. We importance Hubbard U...
To verify the assumption that anelastic relaxation effect observed in Ni 3 Al is due to stress-induced reorientation of antisite atoms [Numakura and Nishi, Mater. Sci. Eng. A 442 (2006) 59-62], magnitudes anisotropic distortion produced by intrinsic point defects have been evaluated ab initio calculations. The anisotropy λ tensor (the strain per unit concentration a particular defect) for two candidate defect species, namely vacancy an atom, has computed full structure optimization supercell...
Although welding results in premature failure by type IV fracture under high temperature creep conditions, the alloy design of light elements such as boron addition and nitrogen reduction enhances lifetime 9Cr heat resistant steel. In particular, simulated affected zone (SHAZ) sample new steel (called TA steel) shows about 10 times longer than that standard Gr. 91 The welded is thus expected to exhibit good properties because its SHAZ has coarser grains suppresses fracture. preservation base...
θ-Al13Fe4 particles form as a primary Fe intermetallic compound (Fe-IMC) during the casting of commercial Al metals and alloys that inevitably contain Si impurities. Moreover, excellent mechanical performances Al-Cu demand knowledge about structural chemistry Fe-IMCs, including θ-phase in quaternary Al-Cu-Fe-Si system. Here, we investigate stability, crystal structure, electronic properties Cu co-doped using first-principles density-functional theory approach. The calculations reveal high...