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| Open AccessIntegration of machine learning with neutron scattering for the Hamiltonian tuning of spin ice under pressure
Designing and understanding quantum materials requires continuous feedback between experimental observations and theoretical modelling. Here, a machine learning scheme integrates experiments with theory and modelling on experimental timescales for extracting material parameters and properties of Dy2Ti2O7 spin-ice under pressure.
- Anjana Samarakoon
- , D. Alan Tennant
- & Santiago A. Grigera
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Perspective
| Open AccessWhy big data and compute are not necessarily the path to big materials science
Machine learning is an increasingly important tool for materials science. Here, the authors suggest that its contextual use, including careful assessment of resources and bias, judicious model selection, and an understanding of its limitations, will help researchers to expedite scientific discovery.
- Naohiro Fujinuma
- , Brian DeCost
- & Samuel E. Lofland
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Article
| Open AccessAccelerating error correction in tomographic reconstruction
Recent advances in scanning probe-based tomographic imaging have greatly improved spatial resolution, but systematic and random errors are a serious impediment to reliable data extraction. Here, a combined optimization and alignment algorithm provides a scalable approach to error-correcting reconstruction of large datasets.
- Sajid Ali
- , Matthew Otten
- & Z. W. Di
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Article
| Open AccessDeep learning for the rare-event rational design of 3D printed multi-material mechanical metamaterials
Multi-material 3D printing techniques are now enabling the rational design of metamaterials with both complex geometries and multiple materials compositions. Here, deep-learning methods are used to identify, among planar network structures, the rare designs that yield very unusual and desirable combinations of materials properties.
- Helda Pahlavani
- , Muhamad Amani
- & Amir A. Zadpoor
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Article
| Open AccessThe +2 oxidation state of Cr incorporated into the crystal lattice of UO2
Uranium dioxide is commonly doped with chromium to improve its performance as a nuclear fuel. Here, with the aid of ab initio simulations and re-evaluation of experimental data, the oxidation state of chromium in the uranium dioxide lattice is identified as +2, not the widely believed +3.
- Mengli Sun
- , Joshua Stackhouse
- & Piotr M. Kowalski