Added notebook to calculate cross-sections

This commit is contained in:
Alexander Nozik 2018-04-08 22:03:23 +03:00
parent baa9d4a6c6
commit 47f333769a
4 changed files with 111 additions and 22 deletions

View File

@ -4,6 +4,7 @@
\.rej$
\.conflict\~$
.gradle/
.ipynb_checkpoints
build/
.idea/*
!gradle-wrapper.jar

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@ -0,0 +1,91 @@
{
"cells": [
{
"cell_type": "code",
"execution_count": 1,
"metadata": {
"ExecuteTime": {
"end_time": "2018-04-08T18:49+0000",
"start_time": "2018-04-08T18:49+0000"
}
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"Added jar: [commons-math3-3.6.1.jar]\n",
"Added jar: [trapping-dev.jar]\n"
]
}
],
"source": [
"%classpath add jar ../build/install/trapping/lib/commons-math3-3.6.1.jar\n",
"%classpath add jar ../build/install/trapping/lib/trapping-dev.jar"
]
},
{
"cell_type": "code",
"execution_count": 17,
"metadata": {
"ExecuteTime": {
"end_time": "2018-04-08T18:58+0000",
"start_time": "2018-04-08T18:58+0000"
}
},
"outputs": [
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "30d035de-65b2-4c03-96c6-25b897f10de4",
"version_major": 2,
"version_minor": 0
},
"method": "display_data"
},
"metadata": {},
"output_type": "display_data"
}
],
"source": [
"def scatter = inr.numass.trapping.Scatter.INSTANCE\n",
"\n",
"def e = (1..20) // energy in keV\n",
"\n",
"def factor = 1e-22\n",
"def sigmaEl = e.collect{scatter.sigmael(it*1000)/factor}\n",
"def sigmaIon = e.collect{scatter.sigmaion(it*1000)/factor}\n",
"def sigmaExc = e.collect{scatter.sigmaexc(it*1000)/factor}\n",
"\n",
"def plot = new Plot(logY: true, yLogBase: 10)\n",
"plot << new Line(x: e, y: sigmaEl, displayName: \"Elastic\")\n",
"plot << new Line(x: e, y: sigmaIon, displayName: \"Ionization\")\n",
"plot << new Line(x: e, y: sigmaExc, displayName: \"Excitation\")\n"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": []
}
],
"metadata": {
"kernelspec": {
"display_name": "Groovy",
"language": "groovy",
"name": "groovy"
},
"language_info": {
"codemirror_mode": "groovy",
"file_extension": ".groovy",
"mimetype": "",
"name": "Groovy",
"nbconverter_exporter": "",
"version": "2.4.3"
}
},
"nbformat": 4,
"nbformat_minor": 2
}

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@ -8,9 +8,8 @@
*/
package inr.numass.trapping
import org.apache.commons.math3.random.JDKRandomGenerator
import org.apache.commons.math3.util.FastMath.*
import org.apache.commons.math3.random.RandomGenerator
import org.apache.commons.math3.util.FastMath.*
import org.apache.commons.math3.util.Pair
@ -79,7 +78,7 @@ object Scatter {
return Pair(2.0 * emass / H2molmass * (1.0 - c) * E, acos(c) * 180.0 / Math.PI)
}
internal fun randomexc(E: Double, generator: RandomGenerator): Pair<Double, Double> {
fun randomexc(E: Double, generator: RandomGenerator): Pair<Double, Double> {
// This subroutine generates energy loss and polar scatt. angle according to
// electron excitation scattering in molecular hydrogen.
// Input:
@ -274,7 +273,7 @@ object Scatter {
return Pair(Eloss, theta)
}
internal fun randomion(E: Double, generator: RandomGenerator): Pair<Double, Double> {
fun randomion(E: Double, generator: RandomGenerator): Pair<Double, Double> {
// This subroutine generates energy loss and polar scatt. angle according to
// electron ionization scattering in molecular hydrogen.
// Input:
@ -457,7 +456,7 @@ object Scatter {
return Pair(El * 27.2, theta)
}
internal fun gensecelen(E: Double, generator: RandomGenerator): Double {
fun gensecelen(E: Double, generator: RandomGenerator): Double {
// This subroutine generates secondary electron energy W
// from ionization of incident electron energy E, by using
// the Lorentzian of Aseev et al. (Eq. 8).
@ -481,7 +480,7 @@ object Scatter {
return eps - Ei
}
internal fun Del(E: Double, c: Double): Double {
fun Del(E: Double, c: Double): Double {
// This subroutine computes the differential cross section
// Del= d sigma/d Omega of elastic electron scattering
// on molecular hydrogen.
@ -565,7 +564,7 @@ object Scatter {
return Delreturn
}
internal fun Dexc(E: Double, c: Double): Double {
fun Dexc(E: Double, c: Double): Double {
// This subroutine computes the differential cross section
// Del= d sigma/d Omega of excitation electron scattering
// on molecular hydrogen.
@ -612,7 +611,7 @@ object Scatter {
return sigma
}
internal fun Dinel(E: Double, c: Double): Double {
fun Dinel(E: Double, c: Double): Double {
// This subroutine computes the differential cross section
// Dinel= d sigma/d Omega of inelastic electron scattering
// on molecular hydrogen, within the first Born approximation.
@ -725,7 +724,7 @@ object Scatter {
return sum
}
internal fun lagrange(n: Int, xn: DoubleArray, fn: DoubleArray, x: Double): Double {
fun lagrange(n: Int, xn: DoubleArray, fn: DoubleArray, x: Double): Double {
var i: Int
var j: Int
var f: Double = 0.0
@ -757,7 +756,7 @@ object Scatter {
return f
}
internal fun sigmael(E: Double): Double {
fun sigmael(E: Double): Double {
// This function computes the total elastic cross section of
// electron scatt. on molecular hydrogen.
// See: Liu, Phys. Rev. A35 (1987) 591,
@ -785,7 +784,7 @@ object Scatter {
return sigma
}
internal fun sigmaexc(E: Double): Double {
fun sigmaexc(E: Double): Double {
// This function computes the electronic excitation cross section of
// electron scatt. on molecular hydrogen.
// E: incident electron energy in eV,
@ -802,7 +801,7 @@ object Scatter {
return sigma
}
internal fun sigmaion(E: Double): Double {
fun sigmaion(E: Double): Double {
// This function computes the total ionization cross section of
// electron scatt. on molecular hydrogen.
// E: incident electron energy in eV,
@ -840,7 +839,7 @@ object Scatter {
return sigma
}
internal fun sigmaBC(E: Double): Double {
fun sigmaBC(E: Double): Double {
// This function computes the sigmaexc electronic excitation
// cross section to the B and C states, with energy loss
// about 12.5 eV.
@ -890,7 +889,7 @@ object Scatter {
}
//////////////////////////////////////////////////////////////////
internal fun sigmadiss10(E: Double): Double {
fun sigmadiss10(E: Double): Double {
// This function computes the sigmadiss10 electronic
// dissociative excitation
// cross section, with energy loss
@ -919,7 +918,7 @@ object Scatter {
}
//////////////////////////////////////////////////////////////////
internal fun sigmadiss15(E: Double): Double {
fun sigmadiss15(E: Double): Double {
// This function computes the sigmadiss15 electronic
// dissociative excitation
// cross section, with energy loss
@ -931,13 +930,11 @@ object Scatter {
val lnE: Double = log(E)
var lnEn: Double
val Emin: Double = 16.5
var sigma: Double
var n: Int
// E is in eV
sigma = 0.0
lnEn = 1.0
if (E < Emin) {
sigma = 0.0
val sigma = if (E < Emin) {
0.0
} else {
n = 0
while (n <= 8) {
@ -945,7 +942,7 @@ object Scatter {
lnEn *= lnE
n++
}
sigma = exp(lnsigma)
exp(lnsigma)
}
return sigma * 1e-4
}

View File

@ -5,8 +5,8 @@ import java.time.Instant
fun main(args: Array<String>) {
val z = doubleArrayOf(-1.736, -1.27, -0.754, -0.238, 0.278, 0.794, 1.31, 1.776)
val b = doubleArrayOf(3.70754, 0.62786, 0.60474, 0.60325, 0.60333, 0.60503, 0.6285, 3.70478)
//val z = doubleArrayOf(-1.736, -1.27, -0.754, -0.238, 0.278, 0.794, 1.31, 1.776)
//val b = doubleArrayOf(3.70754, 0.62786, 0.60474, 0.60325, 0.60333, 0.60503, 0.6285, 3.70478)
// System.out.println("Press any key to start...");
// System.in.read();
val startTime = Instant.now()