Dr Christopher D. Woodgate
@chriswoodgate.bsky.social
Theoretical Physicist and Computational Materials Scientist. Currently an EPSRC Doctoral Prize Fellow and CoSeC Fellow in the School of Physics at the University of Bristol. In free time, a bell ringer, an archer, and a runner…
The last post (for now) in this thread is about my #Book, published by @springer1842.bsky.social in the Springer Series in Materials Science:
link.springer.com/book/10.1007...
This article provides a comprehensive overview of the approach we have developed for studying phase equilibria in #Alloys
link.springer.com/book/10.1007...
This article provides a comprehensive overview of the approach we have developed for studying phase equilibria in #Alloys
Modelling Atomic Arrangements in Multicomponent Alloys
This book provides an overview of the computationally efficient first-principles approach for modelling the phase behaviour of multicomponent alloys
link.springer.com
January 3, 2025 at 10:08 AM
The last post (for now) in this thread is about my #Book, published by @springer1842.bsky.social in the Springer Series in Materials Science:
link.springer.com/book/10.1007...
This article provides a comprehensive overview of the approach we have developed for studying phase equilibria in #Alloys
link.springer.com/book/10.1007...
This article provides a comprehensive overview of the approach we have developed for studying phase equilibria in #Alloys
Back on the theme of #HighEntropyAlloys, this work from early 2024 examined how the addition of Ti to refractory high-entropy alloys led to predicted #Multiphase behaviour:
doi.org/10.1063/5.02...
We studied how the addition of Ti affected the Nb-Mo-Ta-W and V-Nb-Mo-Ta-W #Alloys
doi.org/10.1063/5.02...
We studied how the addition of Ti affected the Nb-Mo-Ta-W and V-Nb-Mo-Ta-W #Alloys
Competition between phase ordering and phase segregation in the TixNbMoTaW and TixVNbMoTaW refractory high-entropy alloys
Refractory high-entropy alloys are under consideration for applications where materials are subjected to high temperatures and levels of radiation, such as in t
doi.org
January 3, 2025 at 10:04 AM
Back on the theme of #HighEntropyAlloys, this work from early 2024 examined how the addition of Ti to refractory high-entropy alloys led to predicted #Multiphase behaviour:
doi.org/10.1063/5.02...
We studied how the addition of Ti affected the Nb-Mo-Ta-W and V-Nb-Mo-Ta-W #Alloys
doi.org/10.1063/5.02...
We studied how the addition of Ti affected the Nb-Mo-Ta-W and V-Nb-Mo-Ta-W #Alloys
More recently, I have been using #MachineLearning tools to develop #InteratomicPotentials:
doi.org/10.1103/Phys...
This work developed an MLIP for the prototypical austenitic #StainlessSteel, Fe-Cr-Ni. Potentials such as this will help to accelerate future simulations 🚀
doi.org/10.1103/Phys...
This work developed an MLIP for the prototypical austenitic #StainlessSteel, Fe-Cr-Ni. Potentials such as this will help to accelerate future simulations 🚀
Collinear-spin machine learned interatomic potential for ${\mathrm{Fe}}_{7}{\mathrm{Cr}}_{2}\mathrm{Ni}$ alloy
We have developed a machine learned interatomic potential for the prototypical austenitic steel ${\mathrm{Fe}}_{7}{\mathrm{Cr}}_{2}\mathrm{Ni}$, using the Gaussian approximation potential (GAP) framew...
doi.org
January 3, 2025 at 10:02 AM
More recently, I have been using #MachineLearning tools to develop #InteratomicPotentials:
doi.org/10.1103/Phys...
This work developed an MLIP for the prototypical austenitic #StainlessSteel, Fe-Cr-Ni. Potentials such as this will help to accelerate future simulations 🚀
doi.org/10.1103/Phys...
This work developed an MLIP for the prototypical austenitic #StainlessSteel, Fe-Cr-Ni. Potentials such as this will help to accelerate future simulations 🚀
One article I am particularly proud of is this #Tutorial article, published in EPJ Plus:
doi.org/10.1140/epjp...
As a group of #PhD researchers and #EarlyCareer #Scientists, we shared our collective advice, tips, and tricks as a guide for others entering the #computational science community 🤖
doi.org/10.1140/epjp...
As a group of #PhD researchers and #EarlyCareer #Scientists, we shared our collective advice, tips, and tricks as a guide for others entering the #computational science community 🤖
Eat, sleep, code, repeat: tips for early-career researchers in computational science - The European Physical Journal Plus
This article is intended as a guide for new graduate students entering the field of computational science. With the increasing influx of students with diverse backgrounds joining the ever-popular fiel...
doi.org
January 3, 2025 at 9:56 AM
One article I am particularly proud of is this #Tutorial article, published in EPJ Plus:
doi.org/10.1140/epjp...
As a group of #PhD researchers and #EarlyCareer #Scientists, we shared our collective advice, tips, and tricks as a guide for others entering the #computational science community 🤖
doi.org/10.1140/epjp...
As a group of #PhD researchers and #EarlyCareer #Scientists, we shared our collective advice, tips, and tricks as a guide for others entering the #computational science community 🤖
Later in 2023, I transitioned to a new project, working on the physics of #Sustainable #RareEarthLean and #RareEarthFree permanent #Magnets 🧲
doi.org/10.1063/5.01...
This article provides a comprehensive computational analysis of the hard magnetic properties of ordered FeNi, known as #Tetrataenite
doi.org/10.1063/5.01...
This article provides a comprehensive computational analysis of the hard magnetic properties of ordered FeNi, known as #Tetrataenite
Revisiting Néel 60 years on: The magnetic anisotropy of L10 FeNi (tetrataenite)
The magnetocrystalline anisotropy energy of atomically ordered L10 FeNi (the meteoritic mineral tetrataenite) is studied within a first-principles electronic st
doi.org
January 3, 2025 at 9:52 AM
Later in 2023, I transitioned to a new project, working on the physics of #Sustainable #RareEarthLean and #RareEarthFree permanent #Magnets 🧲
doi.org/10.1063/5.01...
This article provides a comprehensive computational analysis of the hard magnetic properties of ordered FeNi, known as #Tetrataenite
doi.org/10.1063/5.01...
This article provides a comprehensive computational analysis of the hard magnetic properties of ordered FeNi, known as #Tetrataenite
In 2023, we published another article working on #HighEntropyAlloys in Physical Review Materials:
doi.org/10.1103/Phys...
Here, we showed how the simulated magnetic state of the alloys alters the #FreeEnergy landscape, changing the predicted #PhaseEquilibria for CrCoNi, CrFeCoNi, and CrMnFeCoNi
doi.org/10.1103/Phys...
Here, we showed how the simulated magnetic state of the alloys alters the #FreeEnergy landscape, changing the predicted #PhaseEquilibria for CrCoNi, CrFeCoNi, and CrMnFeCoNi
Interplay between magnetism and short-range order in medium- and high-entropy alloys: CrCoNi, CrFeCoNi, and CrMnFeCoNi
The impact of magnetism on predicted atomic short-range order in three medium- and high-entropy alloys is studied using a first-principles all-electron Landau-type linear-response theory, coupled with...
doi.org
January 3, 2025 at 9:47 AM
In 2023, we published another article working on #HighEntropyAlloys in Physical Review Materials:
doi.org/10.1103/Phys...
Here, we showed how the simulated magnetic state of the alloys alters the #FreeEnergy landscape, changing the predicted #PhaseEquilibria for CrCoNi, CrFeCoNi, and CrMnFeCoNi
doi.org/10.1103/Phys...
Here, we showed how the simulated magnetic state of the alloys alters the #FreeEnergy landscape, changing the predicted #PhaseEquilibria for CrCoNi, CrFeCoNi, and CrMnFeCoNi
Now, my third journal article, this time published in Physical Review Materials in 2023:
doi.org/10.1103/Phys...
Taking the computational approach developed in our earlier work, this time we examined the phase stability of the #Refractory #HighEntropyAlloys, examining atomic ordering tendencies
doi.org/10.1103/Phys...
Taking the computational approach developed in our earlier work, this time we examined the phase stability of the #Refractory #HighEntropyAlloys, examining atomic ordering tendencies
Short-range order and compositional phase stability in refractory high-entropy alloys via first-principles theory and atomistic modeling: NbMoTa, NbMoTaW, and VNbMoTaW
Using an all-electron, first-principles, Landau-type theory, we study the nature of short-range order and compositional phase stability in equiatomic refractory high-entropy alloys, NbMoTa, NbMoTaW, a...
doi.org
January 3, 2025 at 9:44 AM
Now, my third journal article, this time published in Physical Review Materials in 2023:
doi.org/10.1103/Phys...
Taking the computational approach developed in our earlier work, this time we examined the phase stability of the #Refractory #HighEntropyAlloys, examining atomic ordering tendencies
doi.org/10.1103/Phys...
Taking the computational approach developed in our earlier work, this time we examined the phase stability of the #Refractory #HighEntropyAlloys, examining atomic ordering tendencies
Next, my first 'first-author' article, published as an #EditorsSuggestion in Physical Review B in 2022:
doi.org/10.1103/Phys...
We proposed a new technique for studying phase equilibria in #HighEntropyAlloys, combining #DFT calculations, a concentration wave analysis, and #MonteCarlo simulations
doi.org/10.1103/Phys...
We proposed a new technique for studying phase equilibria in #HighEntropyAlloys, combining #DFT calculations, a concentration wave analysis, and #MonteCarlo simulations
Compositional phase stability in medium-entropy and high-entropy Cantor-Wu alloys from an ab initio all-electron Landau-type theory and atomistic modeling
Short-range order in high-entropy alloys (HEA) prompts exciting physical questions: What are the implications for material properties, and what underlying mechanisms are drivers? In this theoretical w...
doi.org
January 3, 2025 at 9:41 AM
Next, my first 'first-author' article, published as an #EditorsSuggestion in Physical Review B in 2022:
doi.org/10.1103/Phys...
We proposed a new technique for studying phase equilibria in #HighEntropyAlloys, combining #DFT calculations, a concentration wave analysis, and #MonteCarlo simulations
doi.org/10.1103/Phys...
We proposed a new technique for studying phase equilibria in #HighEntropyAlloys, combining #DFT calculations, a concentration wave analysis, and #MonteCarlo simulations
Up first, my very first journal article, published in 2021 in Physical Review B:
doi.org/10.1103/Phys...
We studied the phase behaviour and #Magnetostrictive properties of Fe-Ga #Alloys using #ElectronicStructure calculations, showing how #Magnetic properties are connected to atomic arrangements
doi.org/10.1103/Phys...
We studied the phase behaviour and #Magnetostrictive properties of Fe-Ga #Alloys using #ElectronicStructure calculations, showing how #Magnetic properties are connected to atomic arrangements
Ab initio calculations of the phase behavior and subsequent magnetostriction of ${\mathrm{Fe}}_{1\ensuremath{-}x}{\mathrm{Ga}}_{x}$ within the disordered local moment picture
A holistic approach for studying both the nature of atomic order and finite-temperature magnetostrictive behavior in the binary alloy Galfenol (${\mathrm{Fe}}_{1\ensuremath{-}x}{\mathrm{Ga}}_{x}, 0\en...
doi.org
January 3, 2025 at 9:36 AM
Up first, my very first journal article, published in 2021 in Physical Review B:
doi.org/10.1103/Phys...
We studied the phase behaviour and #Magnetostrictive properties of Fe-Ga #Alloys using #ElectronicStructure calculations, showing how #Magnetic properties are connected to atomic arrangements
doi.org/10.1103/Phys...
We studied the phase behaviour and #Magnetostrictive properties of Fe-Ga #Alloys using #ElectronicStructure calculations, showing how #Magnetic properties are connected to atomic arrangements