Molecular-dynamics simulations for 1 keV Ar+ → Cu(111) by Gerhard Betz; Animation by Michael Schmid. The simulation shows one arbitrary event with three ejected Cu atoms (one single atom, one dimer). Other Ar+ impact events can result in ejection of zero to many more Cu atoms, with an average (sputter yield) around 2–3.
Copyright: Free use for students and teaching; distribution via media of any kind and commercial use with permission only.
Updated version the program published as supporting material of the paper Analysis of temperature-programmed desorption via equilibrium thermodynamics by M. Schmid, G. S. Parkinson, and U. Diebold, ACS Phys. Chem. Au 2 (2022), doi: 10.1021/acsphyschemau.2c00031. The program can simulate TPD spectra assuming a lattice gas of adsorbates and it can also calculate the adsorption energy distribution from an experimental TPD spectrum at saturation coverage. The zip archive also contains a list of changes and the plotly library. If this library (plotly-latest.min.js) is saved in the same directory as the html file, the local version of the library will be used, and an internet connection will not be needed to see the plot(s).
This program is also available online.
There is an error in one of the programs supplied as Supporting Information of M. Schmid et al., Why and How Savitzky–Golay Filters Should Be Replaced, ACS Meas. Sci. Au 2, 185 (2022): The method savitzkyGolayBandwidth() is incorrect in WeightedSavitzkyGolaySmoother.java (it is correct in the two other java files). A corrected version is available here: