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

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.

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

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.

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

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

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

Author

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

Examples

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