Materials Sciences and Engineering Research Highlights

Designing Transformations in High-Entropy Ferritic Steels

Design of order-disorder transformations in high-entropy ferritic (Ti-Cr-Fe-Ni-Al) steels by a novel electron-based theory that identifies electronic origins for chemical ordering and how to control it.

Spintronics by guided chemical doping and disorder

Established simple electron-count, chemical-alloy design guide to enhance half-metal behavior, accelerating discovery of new spintronic systems for use in memory and nano-electronic devices.

Small-moment antiferromagnetic ordering

Three zero-field magnetic transitions temperatures and six ordered phases found. These magnetically ordered phases are associated with small moments (∼0.12 μB/Ni) in the saturated state and small changes in entropy. 

Improved quantum computing algorithm to find ground states of correlated quantum models

A new variational quantum algorithm improves the preparation of quantum many-body ground states by automatically building efficient quantum circuits.

Deep learning crystal field parameters from thermodynamic observables

Discovery of deep neural net algorithm that extracts crystal field parameters in an efficient and unbiased way from thermodynamic results.

Complex magnetic energy landscapes in topological magnets

Unusual First-Order Antiferromagnetic Transitions

First-order transitions were observed at the antiferromagnetic transition temperatures of CaMn2P2 and SrMn2P2 crystals with corrugated honeycomb Mn layers.

Adaptive variational quantum computing algorithm for nonequilibrium dynamics simulations

A new adaptive quantum computing algorithm demonstrates high-fidelity quantum simulations

Designing Stronger, More Ductile High-Entropy Alloys

Novel, theory-guided design identified origins for transformation- and twinning-induced plasticity

Accurate and fast self-consistent ab initio calculations for correlated-electron materials

An accurate and efficient first-principles calculation for 4f electron correlated materials