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129 lines
7.0 KiB
129 lines
7.0 KiB
{
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"cells": [
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{
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"cell_type": "code",
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"execution_count": 2,
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"metadata": {},
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"outputs": [],
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"source": [
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"import numpy as np\n",
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"import scipy.constants as sc"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 53,
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"metadata": {},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
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"test\n",
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"[-0.0106066 0.0106066 0. ]\n"
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]
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},
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{
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"ename": "TypeError",
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"evalue": "'numpy.ndarray' object is not callable",
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"output_type": "error",
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"traceback": [
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"\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
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"\u001b[0;31mTypeError\u001b[0m Traceback (most recent call last)",
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"\u001b[0;32m<ipython-input-53-0758df948b6f>\u001b[0m in \u001b[0;36m<module>\u001b[0;34m()\u001b[0m\n\u001b[1;32m 59\u001b[0m \u001b[0mquad\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0minfiniteLengthQuadrupole\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;36m5e-3\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;36m15e-3\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 60\u001b[0m \u001b[0;32mfor\u001b[0m \u001b[0mn\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mrange\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;36m0\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;36m1000\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;36m1\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m---> 61\u001b[0;31m \u001b[0mion\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mposition\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mquad\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mcalcNewIonPos\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;36m0\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;36m1000\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;36m1.1e6\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0mion\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0mt_step\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0mt_sim\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m 62\u001b[0m \u001b[0mprint\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mion\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mposition\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 63\u001b[0m \u001b[0mt_sim\u001b[0m \u001b[0;34m+=\u001b[0m \u001b[0mt_step\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
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"\u001b[0;32m<ipython-input-53-0758df948b6f>\u001b[0m in \u001b[0;36mcalcNewIonPos\u001b[0;34m(self, U, V, f, ion, t_s, t)\u001b[0m\n\u001b[1;32m 39\u001b[0m \u001b[0mprint\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m'test'\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 40\u001b[0m \u001b[0mprint\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mpPole\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mindex\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m---> 41\u001b[0;31m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mpPole\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mindex\u001b[0m\u001b[0;34m]\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mion\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mposition\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;36m3\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m 42\u001b[0m \u001b[0mr_v\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mpPole\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mindex\u001b[0m\u001b[0;34m]\u001b[0m \u001b[0;34m-\u001b[0m \u001b[0mion\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mposition\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 43\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n",
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"\u001b[0;31mTypeError\u001b[0m: 'numpy.ndarray' object is not callable"
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]
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}
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],
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"source": [
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"class Ion:\n",
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" def __init__(self,position, charge, mass, v_z):\n",
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" self.position = np.array(position)\n",
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" self.charge = charge\n",
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" self.m = mass\n",
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" self.v_z = v_z\n",
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" self.F = np.array(np.zeros(3))\n",
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"\n",
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"class infiniteLengthQuadrupole:\n",
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" def __init__(self,R,r_0):\n",
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" self.R = R\n",
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" self.r_0 = r_0\n",
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" self.pPole = np.array([[ r_0/np.sqrt(2),r_0/np.sqrt(2),0],\n",
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" [-r_0/np.sqrt(2),r_0/np.sqrt(2),0],\n",
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" [-r_0/np.sqrt(2),-r_0/np.sqrt(2),0],\n",
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" [r_0/np.sqrt(2),-r_0/np.sqrt(2),0]])\n",
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" self.rodsPseudoQ = np.zeros(4)\n",
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" self.K = 1 / (4 * np.pi * sc.epsilon_0)\n",
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" \n",
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" def phi_0(self,U, V, f, t):\n",
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" return U + V * np.sin(2 * np.pi * f * t)\n",
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" \n",
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" def calcNewIonPos(self,U,V,f,ion,t_s,t):\n",
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" \n",
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" # check if ion has left the r_0 boundary\n",
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" p_I = np.sqrt(sum(i*i for i in ion.position))\n",
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" if p_I >= self.r_0:\n",
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" return None\n",
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" \n",
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" signLUT = [1,-1,1,-1]\n",
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" index = 0;\n",
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" \n",
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" for Q in self.rodsPseudoQ:\n",
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" # calculate the pseudo charge points of the quadrupole\n",
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" Q = signLUT[index] * self.phi_0(U,V,f,t)/2 * self.K * self.R\n",
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" index = index + 1\n",
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" \n",
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" # calculate force on ion\n",
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" print('test')\n",
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" print(self.pPole[index])\n",
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" self.pPole[index] = ion.position(3)\n",
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" r_v = self.pPole[index] - ion.position\n",
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" \n",
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" print(r_v)\n",
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" inv_mag_r_v = 1 / (np.sqrt(sum(i*i for i in r_v))**3)\n",
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" ion.F += self.K * ion.charge * Q * r_v * inv_mag_r_v\n",
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" \n",
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" newPosition = t_s**2 * 1 / ion.m * ion.F + ion.position\n",
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" print(newPosition)\n",
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"\n",
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" return newPosition\n",
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" \n",
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"t_step = 1e-6\n",
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"t_sim = 0\n",
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"# coffein atom 524.50002164 dalton (8.709527e-25 kg)\n",
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"ion = Ion(np.array([[0],[0],[0]]), sc.e, 8.709527e-25,0)\n",
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"\n",
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"# quadrupole\n",
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"quad = infiniteLengthQuadrupole(5e-3,15e-3)\n",
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"for n in range(0,1000,1):\n",
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" ion.position = quad.calcNewIonPos(0,1000,1.1e6,ion,t_step,t_sim)\n",
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" print(ion.position)\n",
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" t_sim += t_step\n",
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" "
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]
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}
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],
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"metadata": {
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"kernelspec": {
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"display_name": "Python 3",
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"language": "python",
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"name": "python3"
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},
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"language_info": {
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"codemirror_mode": {
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"name": "ipython",
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"version": 3
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},
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"file_extension": ".py",
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"mimetype": "text/x-python",
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"name": "python",
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython3",
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"version": "3.7.3"
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}
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},
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"nbformat": 4,
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"nbformat_minor": 2
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}
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