Added notebook to calculate cross-sections
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@ -4,6 +4,7 @@
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\.rej$
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\.conflict\~$
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.gradle/
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.ipynb_checkpoints
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build/
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.idea/*
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!gradle-wrapper.jar
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91
notebooks/cross-sections.ipynb
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91
notebooks/cross-sections.ipynb
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@ -0,0 +1,91 @@
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{
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"cells": [
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{
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"cell_type": "code",
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"execution_count": 1,
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"metadata": {
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"ExecuteTime": {
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"end_time": "2018-04-08T18:49+0000",
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"start_time": "2018-04-08T18:49+0000"
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}
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},
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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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"Added jar: [commons-math3-3.6.1.jar]\n",
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"Added jar: [trapping-dev.jar]\n"
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]
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}
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],
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"source": [
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"%classpath add jar ../build/install/trapping/lib/commons-math3-3.6.1.jar\n",
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"%classpath add jar ../build/install/trapping/lib/trapping-dev.jar"
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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": 17,
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"metadata": {
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"ExecuteTime": {
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"end_time": "2018-04-08T18:58+0000",
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"start_time": "2018-04-08T18:58+0000"
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}
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},
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"outputs": [
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{
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"data": {
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"application/vnd.jupyter.widget-view+json": {
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"model_id": "30d035de-65b2-4c03-96c6-25b897f10de4",
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"version_major": 2,
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"version_minor": 0
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},
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"method": "display_data"
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},
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"metadata": {},
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"output_type": "display_data"
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}
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],
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"source": [
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"def scatter = inr.numass.trapping.Scatter.INSTANCE\n",
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"\n",
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"def e = (1..20) // energy in keV\n",
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"\n",
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"def factor = 1e-22\n",
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"def sigmaEl = e.collect{scatter.sigmael(it*1000)/factor}\n",
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"def sigmaIon = e.collect{scatter.sigmaion(it*1000)/factor}\n",
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"def sigmaExc = e.collect{scatter.sigmaexc(it*1000)/factor}\n",
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"\n",
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"def plot = new Plot(logY: true, yLogBase: 10)\n",
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"plot << new Line(x: e, y: sigmaEl, displayName: \"Elastic\")\n",
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"plot << new Line(x: e, y: sigmaIon, displayName: \"Ionization\")\n",
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"plot << new Line(x: e, y: sigmaExc, displayName: \"Excitation\")\n"
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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": null,
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"metadata": {},
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"outputs": [],
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"source": []
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}
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],
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"metadata": {
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"kernelspec": {
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"display_name": "Groovy",
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"language": "groovy",
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"name": "groovy"
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},
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"language_info": {
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"codemirror_mode": "groovy",
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"file_extension": ".groovy",
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"mimetype": "",
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"name": "Groovy",
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"nbconverter_exporter": "",
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"version": "2.4.3"
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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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@ -8,9 +8,8 @@
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*/
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package inr.numass.trapping
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import org.apache.commons.math3.random.JDKRandomGenerator
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import org.apache.commons.math3.util.FastMath.*
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import org.apache.commons.math3.random.RandomGenerator
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import org.apache.commons.math3.util.FastMath.*
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import org.apache.commons.math3.util.Pair
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@ -79,7 +78,7 @@ object Scatter {
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return Pair(2.0 * emass / H2molmass * (1.0 - c) * E, acos(c) * 180.0 / Math.PI)
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}
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internal fun randomexc(E: Double, generator: RandomGenerator): Pair<Double, Double> {
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fun randomexc(E: Double, generator: RandomGenerator): Pair<Double, Double> {
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// This subroutine generates energy loss and polar scatt. angle according to
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// electron excitation scattering in molecular hydrogen.
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// Input:
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@ -274,7 +273,7 @@ object Scatter {
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return Pair(Eloss, theta)
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}
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internal fun randomion(E: Double, generator: RandomGenerator): Pair<Double, Double> {
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fun randomion(E: Double, generator: RandomGenerator): Pair<Double, Double> {
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// This subroutine generates energy loss and polar scatt. angle according to
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// electron ionization scattering in molecular hydrogen.
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// Input:
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@ -457,7 +456,7 @@ object Scatter {
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return Pair(El * 27.2, theta)
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}
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internal fun gensecelen(E: Double, generator: RandomGenerator): Double {
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fun gensecelen(E: Double, generator: RandomGenerator): Double {
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// This subroutine generates secondary electron energy W
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// from ionization of incident electron energy E, by using
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// the Lorentzian of Aseev et al. (Eq. 8).
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@ -481,7 +480,7 @@ object Scatter {
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return eps - Ei
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}
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internal fun Del(E: Double, c: Double): Double {
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fun Del(E: Double, c: Double): Double {
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// This subroutine computes the differential cross section
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// Del= d sigma/d Omega of elastic electron scattering
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// on molecular hydrogen.
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@ -565,7 +564,7 @@ object Scatter {
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return Delreturn
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}
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internal fun Dexc(E: Double, c: Double): Double {
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fun Dexc(E: Double, c: Double): Double {
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// This subroutine computes the differential cross section
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// Del= d sigma/d Omega of excitation electron scattering
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// on molecular hydrogen.
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@ -612,7 +611,7 @@ object Scatter {
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return sigma
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}
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internal fun Dinel(E: Double, c: Double): Double {
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fun Dinel(E: Double, c: Double): Double {
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// This subroutine computes the differential cross section
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// Dinel= d sigma/d Omega of inelastic electron scattering
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// on molecular hydrogen, within the first Born approximation.
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@ -725,7 +724,7 @@ object Scatter {
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return sum
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}
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internal fun lagrange(n: Int, xn: DoubleArray, fn: DoubleArray, x: Double): Double {
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fun lagrange(n: Int, xn: DoubleArray, fn: DoubleArray, x: Double): Double {
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var i: Int
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var j: Int
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var f: Double = 0.0
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@ -757,7 +756,7 @@ object Scatter {
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return f
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}
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internal fun sigmael(E: Double): Double {
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fun sigmael(E: Double): Double {
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// This function computes the total elastic cross section of
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// electron scatt. on molecular hydrogen.
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// See: Liu, Phys. Rev. A35 (1987) 591,
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@ -785,7 +784,7 @@ object Scatter {
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return sigma
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}
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internal fun sigmaexc(E: Double): Double {
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fun sigmaexc(E: Double): Double {
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// This function computes the electronic excitation cross section of
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// electron scatt. on molecular hydrogen.
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// E: incident electron energy in eV,
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@ -802,7 +801,7 @@ object Scatter {
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return sigma
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}
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internal fun sigmaion(E: Double): Double {
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fun sigmaion(E: Double): Double {
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// This function computes the total ionization cross section of
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// electron scatt. on molecular hydrogen.
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// E: incident electron energy in eV,
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@ -840,7 +839,7 @@ object Scatter {
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return sigma
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}
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internal fun sigmaBC(E: Double): Double {
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fun sigmaBC(E: Double): Double {
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// This function computes the sigmaexc electronic excitation
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// cross section to the B and C states, with energy loss
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// about 12.5 eV.
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@ -890,7 +889,7 @@ object Scatter {
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}
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//////////////////////////////////////////////////////////////////
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internal fun sigmadiss10(E: Double): Double {
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fun sigmadiss10(E: Double): Double {
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// This function computes the sigmadiss10 electronic
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// dissociative excitation
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// cross section, with energy loss
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@ -919,7 +918,7 @@ object Scatter {
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}
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//////////////////////////////////////////////////////////////////
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internal fun sigmadiss15(E: Double): Double {
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fun sigmadiss15(E: Double): Double {
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// This function computes the sigmadiss15 electronic
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// dissociative excitation
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// cross section, with energy loss
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@ -931,13 +930,11 @@ object Scatter {
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val lnE: Double = log(E)
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var lnEn: Double
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val Emin: Double = 16.5
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var sigma: Double
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var n: Int
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// E is in eV
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sigma = 0.0
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lnEn = 1.0
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if (E < Emin) {
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sigma = 0.0
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val sigma = if (E < Emin) {
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0.0
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} else {
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n = 0
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while (n <= 8) {
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@ -945,7 +942,7 @@ object Scatter {
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lnEn *= lnE
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n++
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}
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sigma = exp(lnsigma)
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exp(lnsigma)
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}
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return sigma * 1e-4
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}
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@ -5,8 +5,8 @@ import java.time.Instant
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fun main(args: Array<String>) {
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val z = doubleArrayOf(-1.736, -1.27, -0.754, -0.238, 0.278, 0.794, 1.31, 1.776)
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val b = doubleArrayOf(3.70754, 0.62786, 0.60474, 0.60325, 0.60333, 0.60503, 0.6285, 3.70478)
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//val z = doubleArrayOf(-1.736, -1.27, -0.754, -0.238, 0.278, 0.794, 1.31, 1.776)
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//val b = doubleArrayOf(3.70754, 0.62786, 0.60474, 0.60325, 0.60333, 0.60503, 0.6285, 3.70478)
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// System.out.println("Press any key to start...");
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// System.in.read();
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val startTime = Instant.now()
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