SAFARI – A low and hyperthermal energy ion scattering simulation

SAFARI [1][2] is a classical molecular dynamics simulation designed to assist with analysis of low and hyperthermal energy ion spectra (1 eV - 1 keV) for ion-surface scattering experiments. SAFARI is optimized for this specific energy range to reduce the required runtime, and to produce more precise spectra. This paper discusses the algorithms used in SAFARI, as well as various optimizations implemented for the specific ranges involved.

SAFARI [1][2]是一款经典分子动力学模拟（classical molecular dynamics simulation）工具，旨在辅助开展离子-表面散射（ion-surface scattering）实验中1电子伏特(eV)至1千电子伏特(keV)能量区间内的低能及超热能量离子能谱分析工作。该工具针对此特定能量范围进行了优化，以缩短所需运行时长并生成更为精准的能谱数据。本文阐述了SAFARI所采用的各类算法，以及针对其涉及的特定能量范围所实现的多项优化方案。