10 papers
AFLOW-EMERALD: ElectroMagnetic modes EngineeRing in Advanced LayereD materials
Stefano Campanaro, Luca Bursi, Nicholas H. Anderson +2
Layered and periodically patterned heterostructures underpin advanced optical, photonic, and plasmonic (meta)materials, whose rational design demands electromagnetic solvers that a…
The AFLOW Library of Crystallographic Prototypes: Part 5
Nicholas H. Anderson, Michael J. Mehl, Hagen Eckert +3
The AFLOW library of crystallographic prototypes has been updated to incorporate an additional 344 entries, which now reaches 2,127 prototypes. ICSD and CCDC numbers have been adde…
Grain Growth Kinetics in (Cr,Mo,Ta,V,W)C1-δ High-Entropy Carbide Ceramics
Ali Sarikhani, Gregory E. Hilmas, David W. Lipke +5
Understanding grain-boundary mobility during spark plasma sintering can enable microstructure control in high-entropy carbides, yet quantitative grain-growth kinetics remain scarce…
Disorder viscosity correction approach to calculate spinodal temperature and wavelength
Simon Divilov, Hagen Eckert, Nico Hotz +2
Spinodal decomposition, a key mechanism to microstructure formation in materials, has long posed challenges for predictive modeling, due to the need for parameter-free approaches t…
Terahertz volume plasmon-polariton modulation in all-dielectric hyperbolic metamaterials
Stefano Campanaro, Luca Bussi, Stefano Curtarolo +1
The development of plasmonics and related applications in the terahertz range faces limitations due to the intrinsic high electron density of standard metals. All-dielectric system…
A Software Package for Generating Robust and Accurate Potentials using the Moment Tensor Potential Framework
Josiah Roberts, Biswas Rijal, Simon Divilov +6
We present the Plan for Robust and Accurate Potentials (PRAPs), a software package for training and using moment tensor potentials (MTPs) in concert with the Machine Learned Intera…