Perspectives on multiscale modelling and experiments to accelerate materials development for fusion
Prediction of material performance in fusion reactor environments relies on computational
modelling, and will continue to do so until the first generation of fusion power plants come on …
modelling, and will continue to do so until the first generation of fusion power plants come on …
On the existence and origin of sluggish diffusion in chemically disordered concentrated alloys
Concentrated single phase solid solutions, including medium-and high-entropy alloys,
represent a new class of materials that have recently attracted significant interest due to …
represent a new class of materials that have recently attracted significant interest due to …
Effect of Nb micro-alloying on austenite nucleation and growth in a medium manganese steel during intercritical annealing
RS Varanasi, B Gault, D Ponge - Acta Materialia, 2022 - Elsevier
The third-generation advanced high strength medium manganese steels aim at high-
performance automobile sheet steel applications. Micro-alloying of steels is considered an …
performance automobile sheet steel applications. Micro-alloying of steels is considered an …
Solute diffusion by self-interstitial defects and radiation-induced segregation in ferritic Fe–X (X= Cr, Cu, Mn, Ni, P, Si) dilute alloys
This work investigates solute transport due to self-interstitial defects and radiation induced
segregation tendencies in dilute ferritic alloys, by computing the transport coefficients of …
segregation tendencies in dilute ferritic alloys, by computing the transport coefficients of …
High-throughput ab-initio dilute solute diffusion database
H Wu, T Mayeshiba, D Morgan - Scientific data, 2016 - nature.com
We demonstrate automated generation of diffusion databases from high-throughput density
functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion systems …
functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion systems …
Mechanisms of austenite growth during intercritical annealing in medium manganese steels
The third-generation advanced high strength medium manganese (3–12 wt.%) steels
typically consist of ultrafine-grained dual-phase (austenite-ferrite) microstructure, obtained …
typically consist of ultrafine-grained dual-phase (austenite-ferrite) microstructure, obtained …
Radiation-induced solute segregation in metallic alloys
The subject of radiation-induced solute segregation (RIS) in metallic alloys is reviewed. RIS
manifests itself in several different ways, including diffusion to point-defect sinks …
manifests itself in several different ways, including diffusion to point-defect sinks …
Ab initio scaling laws for the formation energy of nanosized interstitial defect clusters in iron, tungsten, and vanadium
R Alexander, MC Marinica, L Proville, F Willaime… - Physical Review B, 2016 - APS
The size limitation of ab initio calculations impedes first-principles simulations of crystal
defects at nanometer sizes. Considering clusters of self-interstitial atoms as a paradigm for …
defects at nanometer sizes. Considering clusters of self-interstitial atoms as a paradigm for …
Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels
Formation of large volume fractions of Mn-Ni-Si precipitates (MNSPs) causes excess
irradiation embrittlement of reactor pressure vessel (RPV) steels at high, extended-life …
irradiation embrittlement of reactor pressure vessel (RPV) steels at high, extended-life …
Systematic electronic-structure investigation of substitutional impurity diffusion and flux coupling in bcc iron
The diffusion properties of a wide range of impurities (transition metals and Al, Si, and P) in
ferritic alloys are here investigated by means of a combined ab initio–atomic diffusion theory …
ferritic alloys are here investigated by means of a combined ab initio–atomic diffusion theory …