Vital rare earth mineral monazite understanding achieved jointly through theory and experiment

Journal cover art depicting water adsorption and an adsorbed ligand bridging from monazite-{100} to an air bubble.
Journal cover art depicting water adsorption and an adsorbed ligand bridging from monazite-{100} to an air bubble.

CMI researchers from Oak Ridge National Laboratory and Arizona State University conducted the research for this highlight.

Achievement

  • First-principles calculations and XRD spectra reveal low-index facets dominate the crystal morphology, largely independent of the amount of adsorbed water.
  • Demonstrated good alignment between theoretical predictions and experimental measurements of surface energy for monazite particle.

Significance and Impact 

  • Provided the first prediction of an ideal lanthanum monazite particle via thermodynamic Wulff construction from 11 candidate facets.
  • This foundational work enables the future research and design of novel collector ligands that drive monazite beneficiation processes, facilitating enhanced rare-earth production.

Hub Target Addressed 

  • CMI Grand Challenge: Increasing the Speed of Discovery and Integration. 
  • CMI Grand Challenge: Predictive Models for “Real” Materials.
two images compare the predominant facets for a predicted and synthesized lanthanum-monazite particle.
Comparison of the predominant facets for a predicted and synthesized lanthanum-monazite particle.