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.