A5101728454- High-Temperature Coating Behaviors
- Microstructure and mechanical properties
- High Temperature Alloys and Creep
- Advanced Materials Characterization Techniques
- Microstructure and Mechanical Properties of Steels
- High Entropy Alloys Studies
- Aluminum Alloy Microstructure Properties
- nanoparticles nucleation surface interactions
- Nuclear Materials and Properties
- Intermetallics and Advanced Alloy Properties
- Fusion materials and technologies
- Advanced Welding Techniques Analysis
- Semiconductor materials and interfaces
- Hydrogen embrittlement and corrosion behaviors in metals
- Nuclear Physics and Applications
- Magnetic Properties and Applications
University of Oxford
2021-2024
Universidad Carlos III de Madrid
2023
Science Oxford
2022
United Kingdom Atomic Energy Authority
2017-2021
University of Manchester
2017-2021
Engineering and Physical Sciences Research Council
2020
The solid-state region of the Ni-Al phase diagram is predicted from first-principles calculations and Monte Carlo simulations through cluster expansion formalism. In addition to formation enthalpy configurational entropy, vibrational entropy magnetic are included calculate Gibbs free energy each phase. computed in excellent agreement with experimentally accepted provides information about boundary between AlNi3 Ni below 300 K. These results demonstrate potential this methodology determine...
The study and modeling of material degradation processes, such as the initiation growth creep cavities in high-temperature applications, require a correlative comprehensive knowledge microstructure. However, individual microscopy is limited to small region specific microstructural information specimen. This work demonstrates novel approach for characterising cavitation establishing correlations with local parameters statistical manner. combines datasets from stitched higher-resolution...
Systematic investigation of phase stability the magnetic fcc Fe-Cr-Mn-Ni system---promising candidate structural materials to replace conventional austenitic steels---has been performed using a combination spin-polarized density-functional theory, cluster expansion, and Monte Carlo simulations. The developed model was able reproduce all known ground states (GSs) in studied system predict new ones with strongly negative formation enthalpy---ternary ${\mathrm{CrMnNi}}_{2}$ quaternary...
Configuration entropy is believed to stabilize disordered solid solution phases in multicomponent systems at elevated temperatures over intermetallic compounds by lowering the Gibbs free energy. Traditionally, increment of configuration with temperature was computed time-consuming thermodynamic integration methods. In this work, a new formalism based on hybrid combination Cluster Expansion (CE) Hamiltonian and Monte Carlo simulations developed predict as function from multi-body cluster...
Creep in metals and alloys has been observed studied extensively over the past century. Most studies are based on constant load or less frequently stress conditions. Under certain regimes during period of service, such as creep-fatigue (cyclic), under displacement-controlled loading can relax. This paper uses novel millimetre length-scale beam bend geometry test specimens with displacement to simulate relaxation explore cavity nucleation early-stage growth/closure a model polycrystalline...
One of the key challenges for development high-performance fusion materials is to design capable maintaining mechanical and structural integrity under extreme levels displacement damage, high temperature transmutation rates. High-entropy alloys (HEAs) other concentrated have attracted attention with regards their performance conditions. In recent years, a number investigations irradiation responses HEAs peaked community's interest in them, such as work Kumar et al. (2016), who examined...
Journal Article New Correlative Microscopy Approaches to Understand the Microstructural Origins of Creep Cavitation in Austenitic Steels Get access Tomas Martin, Martin Interface Analysis Centre, H.H. Wills Physics Laboratory, University Bristol, UK Corresponding author: tomas.martin@bristol.ac.uk Search for other works by this author on: Oxford Academic Google Scholar Siqi He, He Edward Horton, Horton School Mechanical Engineering, Hao Shang, Shang Antonio Fernandez-Caballero,...
In high-entropy alloys (HEAs), the local chemical fluctuations from disordered solute solution state into segregation, precipitation and ordering configurations are complex due to large number of elements. this work, cluster expansion (CE) Hamiltonian for multi-component alloy systems is developed in order investigate dependence HEAs as a function temperature derivation configuration entropy ideal solution. Analytic expressions Warren-Cowley short-range (SRO) parameters derived five...