如何模拟撞击
注意，本教程是针对版本低于2019的软件。对2019版以上，可以参考：ReaxFF-Molecule Gun：模拟分子的入射、冲击、化学沉积
模型
本例以两个铁片层的撞击。事实上，模拟团簇对表面的撞击，设置方式也是一摸一样的。
我们以两层铁原子为例，点击View > Axes显示坐标系（选中原子edit - set origin设置原点，选中两个原子edit - align - With X-axes设置x轴方向），并设置一般的分子动力学参数：
2，设置撞击参数
修改*.run文件：
在任意一个eor字段后面，增加如下内容：
cat > vels <<eor Lattice parameters: 14.25000000 14.25000000 54.25000000 90.00000000 90.00000000 90.00000000 50 Atom coordinates (Angstrom): 1.4250000000000000+00 -1.4250000000000000+00 7.1250000000000000+00 Fe -4.2750000000000000+00 -4.2750000000000000+00 7.1250000000000000+00 Fe 1.4250000000000000+00 -4.2750000000000000+00 7.1250000000000000+00 Fe -1.4250000000000000+00 1.4250000000000000+00 7.1250000000000000+00 Fe 4.2750000000000000+00 4.2750000000000000+00 7.1250000000000000+00 Fe 7.1250000000000000+00 -1.4250000000000000+00 7.1250000000000000+00 Fe 7.1250000000000000+00 -4.2750000000000000+00 7.1250000000000000+00 Fe -1.4250000000000000+00 7.1250000000000000+00 7.1250000000000000+00 Fe -1.4250000000000000+00 -4.2750000000000000+00 7.1250000000000000+00 Fe 4.2750000000000000+00 7.1250000000000000+00 7.1250000000000000+00 Fe 1.4250000000000000+00 7.1250000000000000+00 7.1250000000000000+00 Fe 7.1250000000000000+00 7.1250000000000000+00 7.1250000000000000+00 Fe 1.4250000000000000+00 1.4250000000000000+00 7.1250000000000000+00 Fe 4.2750000000000000+00 -4.2750000000000000+00 7.1250000000000000+00 Fe 7.1250000000000000+00 4.2750000000000000+00 7.1250000000000000+00 Fe 4.2750000000000000+00 1.4250000000000000+00 7.1250000000000000+00 Fe 4.2750000000000000+00 -1.4250000000000000+00 7.1250000000000000+00 Fe -1.4250000000000000+00 4.2750000000000000+00 7.1250000000000000+00 Fe -4.2750000000000000+00 1.4250000000000000+00 7.1250000000000000+00 Fe -1.4250000000000000+00 -1.4250000000000000+00 7.1250000000000000+00 Fe -4.2750000000000000+00 -1.4250000000000000+00 7.1250000000000000+00 Fe -4.2750000000000000+00 4.2750000000000000+00 7.1250000000000000+00 Fe 1.4250000000000000+00 4.2750000000000000+00 7.1250000000000000+00 Fe -4.2750000000000000+00 7.1250000000000000+00 7.1250000000000000+00 Fe 7.1250000000000000+00 1.4250000000000000+00 7.1250000000000000+00 Fe -5.7000000000000000+00 5.7000000000000000+00 -5.7000000000000000+00 Fe 0.0000000000000000+00 5.7000000000000000+00 -5.7000000000000000+00 Fe 2.8500000000000000+00 2.8500000000000000+00 -5.7000000000000000+00 Fe -2.8500000000000000+00 0.0000000000000000+00 -5.7000000000000000+00 Fe -2.8500000000000000+00 2.8500000000000000+00 -5.7000000000000000+00 Fe 0.0000000000000000+00 -5.7000000000000000+00 -5.7000000000000000+00 Fe 2.8500000000000000+00 -2.8500000000000000+00 -5.7000000000000000+00 Fe -5.7000000000000000+00 -2.8500000000000000+00 -5.7000000000000000+00 Fe -5.7000000000000000+00 2.8500000000000000+00 -5.7000000000000000+00 Fe 5.7000000000000000+00 2.8500000000000000+00 -5.7000000000000000+00 Fe -2.8500000000000000+00 -2.8500000000000000+00 -5.7000000000000000+00 Fe 0.0000000000000000+00 -2.8500000000000000+00 -5.7000000000000000+00 Fe 2.8500000000000000+00 5.7000000000000000+00 -5.7000000000000000+00 Fe -2.8500000000000000+00 5.7000000000000000+00 -5.7000000000000000+00 Fe 5.7000000000000000+00 -2.8500000000000000+00 -5.7000000000000000+00 Fe 2.8500000000000000+00 -5.7000000000000000+00 -5.7000000000000000+00 Fe -2.8500000000000000+00 -5.7000000000000000+00 -5.7000000000000000+00 Fe 0.0000000000000000+00 0.0000000000000000+00 -5.7000000000000000+00 Fe 5.7000000000000000+00 -5.7000000000000000+00 -5.7000000000000000+00 Fe 5.7000000000000000+00 0.0000000000000000+00 -5.7000000000000000+00 Fe -5.7000000000000000+00 0.0000000000000000+00 -5.7000000000000000+00 Fe 0.0000000000000000+00 2.8500000000000000+00 -5.7000000000000000+00 Fe 2.8500000000000000+00 0.0000000000000000+00 -5.7000000000000000+00 Fe -5.7000000000000000+00 -5.7000000000000000+00 -5.7000000000000000+00 Fe 5.7000000000000000+00 5.7000000000000000+00 -5.7000000000000000+00 Fe Atom velocities (Angstrom/s): 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 0.000000000000000D+00 0.000000000000000D+00 -0.999754312886992D+11 Atom accelerations (Angstrom/s**2): 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 0.000000000000000D+00 0.000000000000000D+00 -0.313616213868668D+27 MD-temperature (K): 0.147071142605903D+02 eor
这段内容，对数字的格式要求非常严格，也就是数字的位数，必须和上述一致。上述四组数字，分别描述ADFinput中50个原子的初始坐标、速度、加速度、温度。
如果运行出现问题，最好参考本例*.run文件，在上面进行修改。
3，运行任务
在ADFjobs窗口，选中该任务，之后点击Job > Run提交任务。
在SCM Logo > Movie，查看动画过程。上述设置的速度相反、加速度也相反，因此必然会撞击在一起：
第1帧：
逐渐接近
初步接触：
撞在一起后，互相速度抵消，在该位置进行平衡的热振动，并发生不规则的形变。
