run MUPHOCOR on the given S(q,w) data set, incident wavelength and Temperature
g = muphocor(s, lambda, T, amasi, sigi, conci)
When not given, the physical parameters are searched in the object.
The material physical properties include the masses, the incoherent
scattering cross sections, and the concentrations which can be given as
vectors per element/non equivalent atom in the material.
The concentrations are the proportion of atoms in the material.
For H2O, one should specify manually:
'amasi', [ 1.0079 15.9994 ]
'sigi', [ 82.0168 4.2325 ]
'conci', [ 2 1 ]
Input arguments can be given in order, or with name-value pairs, or as a
structure with named fields.
MUPHOCOR Parameters:
--------------------
Can be given as name/value pairs.
E0: INC. ENERGY(MEV)
FP: FLIGHTPATH(CM)
XNEL: CHANNEL OF ELASTIC LINE
CW: CHANNEL WIDTH(MYS)
FIMI: MIN.SCATT.ANGLE
FIMA: MAX.SCATT.ANGLE
UNT: CONST.BACKGROUND
ABK: Absorption coefficient
AEMP: Coeff. for calculating the detector efficiency bac=unt/(1.0-EXP(-aemp/SQRT(e0-hot(n))))
NSPEC: NUMBER OF DIFFERENT ATOMIC SPECIES
HOX: UPPER LIMIT OF DENSITY OF STATES
TEMPO: TEMPERATURE IN KELVIN
DW: MEAN DEBY WALLER COEFFICIENT
AMASI: ATOMIC MASS (g/mol)
SIGI : SIGMA (total scattering cross section, barns)
CONCI: CONCENTRATION
ALFI: SCATTERING POWER
NPHO: NUMBER OF MULTI PHONON TERMS
ITM: TOTAL NUMBER OF ITERATIONS
IVIT=0(1): ITERATION BY DIFFERENCE(QUOTIENT) METHOD
IDW=0: DW COEFF. KEPT CONST.=INPUT VALUE,DW=1:DW COEFF.ITERATED
IEMP=1(0): CORRECTIONS FOR COUNTER EFFICIENCY WILL BE(NOT BE) DONE
IRES=1(0): DATA WILL BE(NOT BE) CORRECTED FOR SPECTR. RESOLUTION
IPR=1(0): Convolutions integrals o the multiphonon term are printed
ILOSS=1: Analysis OF the imcomplete energy loss spectrum will be done
NU: First channel OF spektrum NO: Last channel OF spektrum
NUU: First channel OF TOF distribution used FOR calculation
NOO: Last channel OF TOF distribution used FOR calculation
IGLU: Number OF smoothing processes in CASE OF a time-dependant background
UNT: CONSTANT BACKGROUND
FUN: MULTIPLICATION FACTOR FOR TIME DEPENDENT BACKGROUND
Z00: TIME OF FLIGHT DISTRIBUTION
UN0: TIME DEPENDENT BACKGROUND (if fun = 1)
input:
s: iData_Sqw2D object S(q,w)
lambda: optional incident neutron wavelength [Angs]
temp0: optional Temperature [K]
amasi: optional material mass [g/mol]
sigi: optional total scattering cross section [barns]
conci: optional material concentration [1]
References:
H. Schober, Journal of Neutron Research 17 (2014) 109–357
DOI 10.3233/JNR-140016 (see esp. pages 328-331)
V.S. Oskotskii, Sov. Phys. Solid State 9 (1967), 420.
A. Sjolander, Arkiv for Fysik 14 (1958), 315.
W. Reichardt, MUPHOCOR Karlsruhe Report 13.03.01p06L (1984)