run_MC_ISO_DELOC {RLumCarlo}

Run Monte-Carlo Simulation for ISO-TL (delocalized transitions)

Description

Runs a Monte-Carlo (MC) simulation of isothermally stimulated luminescence (ISO-TL or ITL) using the one trap one recombination centre (OTOR) model. Delocalised refers to involvement of the conduction band.

Usage

run_MC_ISO_DELOC(
  s,
  E,
  T = 20,
  times,
  clusters = 10,
  N_e = 200,
  n_filled = N_e,
  R,
  method = "par",
  output = "signal",
  ...
)

Arguments

s

numeric (required): The frequency factor of the trap (s^-1)

E

numeric (required): Thermal activation energy of the trap (eV)

T

numeric (with default): Constant stimulation temperature (°C)

times

numeric (with default): The sequence of time steps within the simulation (s)

clusters

numeric (with default): The number of created clusters for the MC runs. The input can be the output of create_ClusterSystem. In that case n_filled indicate absolute numbers of a system.

N_e

integer (with default): The total number of electron traps available (dimensionless). Can be a vector of length(clusters), shorter values are recycled.

n_filled

integer (with default): The number of filled electron traps at the beginning of the simulation (dimensionless). Can be a vector of length(clusters), shorter values are recycled.

R

numeric (required): The delocalized retrapping ratio (dimensionless)

method

character (with default): Sequential 'seq' or parallel 'par'processing. In the parallel mode the function tries to run the simulation on multiple CPU cores (if available) with a positive effect on the computation time.

output

character (with default): Output is either the 'signal' (the default) or 'remaining_e' (the remaining charges, electrons, in the trap)

...

further arguments, such as cores to control the number of used CPU cores or verbose to silence the terminal

Details

The model

I_{DELOC}(t) = -dn/dt = (s * exp(-E/(k_{B} * T_{ISO}))) * (n^2 / (N*R + n(1-R)))

Where in the function:
t := time
k_{B} := Boltzmann constant (8.617 x 10^-5 eV K^-1)
T_{ISO} = temperature of the isothermal experiment (°C)
n := n_filled, the number of filled electron traps at the beginning of the simulation
E := the trap depth (eV)
s := the frequency factor in (s^-1)
N := N_e, the total number of electron traps available (dimensionless)
R := the retrapping ratio for delocalized transitions

Value

This function returns an object of class RLumCarlo_Model_Output which is a list consisting of an array with dimension length(times) x clusters and a numeric time vector.

Function version

0.1.0

How to cite

Kreutzer, S., 2022. run_MC_ISO_DELOC(): Run Monte-Carlo Simulation for ISO-TL (delocalized transitions). Function version 0.1.0. In: Friedrich, J., Kreutzer, S., Pagonis, V., Schmidt, C., 2022. RLumCarlo: Monte-Carlo Methods for Simulating Luminescence Phenomena. R package version 0.1.9. https://CRAN.R-project.org/package=RLumCarlo

Author(s)

Sebastian Kreutzer, Institute of Geography, Heidelberg University (Germany)

References

Pagonis, V., Friedrich, J., Discher, M., Müller-Kirschbaum, A., Schlosser, V., Kreutzer, S., Chen, R. and Schmidt, C., 2019. Excited state luminescence signals from a random distribution of defects: A new Monte Carlo simulation approach for feldspar. Journal of Luminescence 207, 266–272. doi:10.1016/j.jlumin.2018.11.024

Further reading

Chen, R., McKeever, S.W.S., 1997. Theory of Thermoluminescence and Related Phenomena. WORLD SCIENTIFIC. doi:10.1142/2781

Examples

run_MC_ISO_DELOC(
 s = 3.5e12,
 E = 1.45,
 T = 200,
 R = 1,
 method = 'seq',
 times = 0:100) %>%
plot_RLumCarlo(legend = TRUE)