English

AMORPH: A statistical program for characterizing amorphous materials by X-ray diffraction

Data Analysis, Statistics and Probability 2018-08-15 v2 Geophysics Applications

Abstract

AMORPH utilizes a new Bayesian statistical approach to interpreting X-ray diffraction results of samples with both crystalline and amorphous components. AMORPH fits X-ray diffraction patterns with a mixture of narrow and wide components, simultaneously inferring all of the model parameters and quantifying their uncertainties. The program simulates background patterns previously applied manually, providing reproducible results, and significantly reducing inter- and intra-user biases. This approach allows for the quantification of amorphous and crystalline materials and for the characterization of the amorphous component, including properties such as the centre of mass, width, skewness, and nongaussianity of the amorphous component. Results demonstrate the applicability of this program for calculating amorphous contents of volcanic materials and independently modeling their properties in compositionally variable materials.

Keywords

Cite

@article{arxiv.1709.04556,
  title  = {AMORPH: A statistical program for characterizing amorphous materials by X-ray diffraction},
  author = {Michael C. Rowe and Brendon J. Brewer},
  journal= {arXiv preprint arXiv:1709.04556},
  year   = {2018}
}

Comments

Accepted for publication in Computers and Geosciences. 24 pages, 13 figures. Software available at https://bitbucket.org/eggplantbren/amorph