Halloysite: Structural Adaptation to Spheroidal Morphology

Elastic energy framework for understanding how halloysite layers curve from tubes to spheroids via hydration and confinement

Natural Radius: 76.5 A Critical Hydration: 0.571 36.4% Spheroid Phase 200 MC Samples

Phase Diagram Distribution

Monte Carlo Morphology Distribution

Transition Pathway: Aspect Ratio vs Hydration

Environmental Conditions by Morphology

Phase Diagram Summary

MorphologyCountFraction
Tube3150.630
Spheroid1820.364
Prismatic30.006

Key Physical Parameters

ParameterValue
Tetrahedral sheet a5.14 A
Octahedral sheet a5.06 A
Natural curvature0.0131 A-1
Natural tube radius76.5 A
Optimal tube energy4.573 eV
Layer thickness (hydrated)7.2 A
Elastic modulus170 GPa
Critical hydration0.571

MC Statistics by Morphology

ParameterTubeSpheroid
Count16832
Fraction0.8400.160
Mean Hydration0.3670.597
Mean Mismatch0.015720.01542
Mean Confinement0.4380.846

Transition Pathway

PropertyStartEnd
Aspect Ratio5.01.0
Effective Mismatch0.01570.0110
Natural Radius (A)75.9109.5
Spheroidality0.01.0