Dr Christopher D. Woodgate

Thrilled to share my latest #research #article, published today in Journal of Physics: Materials

doi.org/10.1088/2515...

We model the #thermodynamics, #phase #stability, and #properties of two #refractory #HighEntropy #superalloys. Check it out!

@ioppublishing.bsky.social

YouTube video by MuST Program for Disordered Materials Using the KKR-CPA and concentration waves to probe the phase stability of high-entropy alloys

It was really great to speak in the webinar series for the MuST Program for Disordered Materials today, talking about some of the work we have been doing recently on #HighEntropyAlloys 🔩

You can find a recording of my talk on YouTube: www.youtube.com/watch?v=l1Dx... 🚀

Had a great time presenting at the 2025 @apsphysics.bsky.social Global #Physics Summit in Anaheim last week!

My invited talk in a session focussing on #DisorderedMaterials was well-received, with plenty of interesting discussions afterwards.

Until next time! 🚀

#Physics #MaterialsScience #Theory

Christopher Woodgate standing next to a banner for the 16th Joint MMM-Intermag Conference 2025, held in New Orleans, Louisiana, USA.

Conference badge for Christopher Woodgate for the 2025 Joint MMM-Intermag meeting, held in New Orleans, Louisiana, USA. The badge shows affiliations for both the University of Warwick and the University of Bristol, and also has a session chair ribbon attached.

Had a really great week attending the 16th Joint MMM-Intermag Conference, held in New Orleans, Louisiana, USA! This joint meeting is one of the world's premier #magnetism conferences 🧲

There were lots of great presentations throughout the week, and plenty of interesting discussions, too!

Picture of conference accreditation badge for Christopher Woodgate for the Joint MMM/Intermag conference in New Orleans, January 2025. The affiliations shown are for the University of Warwick and the University of Bristol

Great to be here in New Orleans for the 2025 Joint MMM/Intermag meeting, one of the premier global magnetism conferences! 🧲

I have two talks on Wednesday and Thursday mornings, and am also chairing a session on Friday. Come along to find out more about some of our recent work!

#Magnetism

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

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

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

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

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 🚀

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...

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 🤖

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

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

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

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

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...

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

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

As @bsky.app is a (relatively) new platform and I am a (relatively) new user here, I thought I would share a thread of my 'back catalogue' of publications so the community can get a flavour of the sort of problems on which I work. Here goes!

#Physics #MaterialsScience #MaterialsModelling

Integrated ab initio modelling of atomic ordering and magnetic anisotropy for design of FeNi-based magnets - npj Computational Materials npj Computational Materials - Integrated ab initio modelling of atomic ordering and magnetic anisotropy for design of FeNi-based magnets

Really pleased to be able to share this research article, published today in npj Computational Materials: doi.org/10.1038/s415...

Here, we examine how alloying additions may be used to control chemical ordering tendencies and magnetic properties in FeNi-based magnets! 🧲

#Physics #MaterialsScience

Structure, short-range order, and phase stability of the AlxCrFeCoNi high-entropy alloy: insights from a perturbative, DFT-based analysis - npj Computational Materials npj Computational Materials - Structure, short-range order, and phase stability of the AlxCrFeCoNi high-entropy alloy: insights from a perturbative, DFT-based analysis

Check out our latest research article examining the thermodynamics and phase stability of the Al-CrFeCoNi #HighEntropyAlloy:

doi.org/10.1038/s415...

Really great to have been able to work with the group of Livia Bartók-Pártay on this project!

#MaterialsScience #Phyiscs #Chemistry