6533b7d8fe1ef96bd1269872

RESEARCH PRODUCT

Neural Network Approach for Characterizing Structural Transformations by X-Ray Absorption Fine Structure Spectroscopy

J. PuransAndris AnspoksAnatoly I. FrenkelAnatoly I. FrenkelAlexei KuzminArturs CintinsJanis Timoshenko

subject

AusteniteWork (thermodynamics)Materials scienceGeneral Physics and Astronomy02 engineering and technology021001 nanoscience & nanotechnologyRadial distribution function01 natural sciencesSpectral lineX-ray absorption fine structureChemical physics0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]010306 general physics0210 nano-technologySpectroscopyAbsorption (electromagnetic radiation)Curse of dimensionality

description

AIF acknowledge support by the US Department of Energy, Office of Basic Energy Sciences under Grant No. DE-FG02 03ER15476. AIF acknowledges support by the Laboratory Directed Research and Development Program through LDRD 18-047 of Brookhaven National Laboratory under U.S. Department of Energy Contract No. DE-SC0012704 for initiating his research in machine learning methods. The help of the beamline staff at ELETTRA (project 20160412) synchrotron radiation facility is acknowledged. RMC-EXAFS and MD-EXAFS simulations were performed on the LASC cluster-type computer at Institute of Solid State Physics of the University of Latvia.

https://doi.org/10.1103/physrevlett.120.225502