Fig. 11. Section views of ion trajectories
(39K+) under reflection mode. (A)
simulation result before optimization, (B), (C), and (D) simulation
results using different optimized potentials.
Conclusion and outlook
In the numerical simulation for mass spectrometry instrumentation, an
MNMS algorithm was employed to optimize the voltage configurations of an
MRTOF-MS. This algorithm modifies the standard NMS algorithm by
incorporating a domain transformation of variables and an additional
re-check for optimality. Thus, the MNMS algorithm is effective in
solving complex, constrained nonlinear problems and is capable of
producing an approximate global optimal solution. Moreover, it is highly
efficient in quickly finding the optimal solution and does not require
any derivatives of the function. The simulation results demonstrated an
improvement in the performance of the MRTOF-MS and confirmed the
effectiveness of the method.
Additionally, the MNMS search algorithm is applicable to other numerical
simulations for the design and optimization of MS instruments, even in
cases where the problems are not smooth or the derivatives are not
available. We believe that this improved direct search algorithm has the
potential for broader application in various fields.