XAFSmass: A program for calculating the optimal mass of XAFS samples

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

Abstract

We present a new implementation of the XAFSmass program that calculates the optimal mass of XAFS samples. It has several improvements as compared to the old Windows based program XAFSmass: 1) it is truly platform independent, as provided by Python language, 2) it has an improved parser of chemical formulas that enables parentheses and nested inclusion-to-matrix weight percentages. The program calculates the absorption edge height given the total optical thickness, operates with differently determined sample amounts (mass, pressure, density or sample area) depending on the aggregate state of the sample and solves the inverse problem of finding the elemental composition given the experimental absorption edge jump and the chemical formula.

Detaljer

Författare
Enheter & grupper
Externa organisationer
  • German Electron Synchrotron (DESY)
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Annan fysik
Originalspråkengelska
Artikelnummer012008
TidskriftJournal of Physics: Conference Series
Volym712
Utgåva nummer1
StatusPublished - 2016
PublikationskategoriForskning
Peer review utfördJa