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| | Here you will find useful jupyter notebooks on this subject. | | Here you will find useful jupyter notebooks on this subject. |
| | | | |
| − | You can run the notebooks at the following URLs (choose: Notebook or Lab): | + | You can run the notebooks at the following URLs: |
| | | | |
| | [https://mybinder.org/v2/gh/emartineznunez/QF_IV/master Jupyter Notebook ] | | [https://mybinder.org/v2/gh/emartineznunez/QF_IV/master Jupyter Notebook ] |
| − |
| |
| − | [https://mybinder.org/v2/gh/emartineznunez/QF_IV/master?urlpath=lab Jupyter Lab ]
| |
| − |
| |
| − |
| |
| − | <html lang="en">
| |
| − |
| |
| − | <head>
| |
| − | <div id="glowscript" class="glowscript">
| |
| − | <meta http-equiv="Content-Type" content="text/html; charset=utf-8">
| |
| − | <link type="text/css" href="https://s3.amazonaws.com/glowscript/css/redmond/2.1/jquery-ui.custom.css" rel="stylesheet" />
| |
| − | <link type="text/css" href="https://s3.amazonaws.com/glowscript/css/ide.css" rel="stylesheet" />
| |
| − | <script type="text/javascript" src="https://s3.amazonaws.com/glowscript/lib/jquery/2.1/jquery.min.js"></script>
| |
| − | <script type="text/javascript" src="https://s3.amazonaws.com/glowscript/lib/jquery/2.1/jquery-ui.custom.min.js"></script>
| |
| − | <script type="text/javascript" src="https://s3.amazonaws.com/glowscript/package/glow.3.0.min.js"></script>
| |
| − | <script type="text/javascript" src="https://s3.amazonaws.com/glowscript/package/RSrun.3.0.min.js"></script>
| |
| − | <script type="text/javascript"><!--//--><![CDATA[//><!--
| |
| − |
| |
| − | // START JAVASCRIPT
| |
| − | ;(function() {;
| |
| − | var RS_modules = {};
| |
| − | RS_modules.pythonize = {};
| |
| − |
| |
| − | (function(){
| |
| − | function strings() {
| |
| − | var string_funcs, exclude, name;
| |
| − | string_funcs = set("capitalize strip lstrip rstrip islower isupper isspace lower upper swapcase center count endswith startswith find rfind index rindex format join ljust rjust partition rpartition replace split rsplit splitlines zfill".split(" "));
| |
| − | if (!arguments.length) {
| |
| − | exclude = (function(){
| |
| − | var s = RS_set();
| |
| − | s.jsset.add("split");
| |
| − | s.jsset.add("replace");
| |
| − | return s;
| |
| − | })();
| |
| − | } else if (arguments[0]) {
| |
| − | exclude = Array.prototype.slice.call(arguments);
| |
| − | } else {
| |
| − | exclude = null;
| |
| − | }
| |
| − | if (exclude) {
| |
| − | string_funcs = string_funcs.difference(set(exclude));
| |
| − | }
| |
| − | var RS_Iter0 = string_funcs;
| |
| − | RS_Iter0 = ((typeof RS_Iter0[Symbol.iterator] === "function") ? (RS_Iter0 instanceof Map ? RS_Iter0.keys() : RS_Iter0) : Object.keys(RS_Iter0));
| |
| − | for (var RS_Index0 of RS_Iter0) {
| |
| − | name = RS_Index0;
| |
| − | (RS_expr_temp = String.prototype)[(typeof name === "number" && name < 0) ? RS_expr_temp.length + name : name] = (RS_expr_temp = RS_str.prototype)[(typeof name === "number" && name < 0) ? RS_expr_temp.length + name : name];
| |
| − | }
| |
| − | };
| |
| − | if (!strings.__module__) Object.defineProperties(strings, {
| |
| − | __module__ : {value: "pythonize"}
| |
| − | });
| |
| − |
| |
| − | RS_modules.pythonize.strings = strings;
| |
| − | })();
| |
| − | async function __main__() {
| |
| − | "use strict";
| |
| − |
| |
| − | var version, display, vector, print, arange, __name__, type, scene, RS_ls, win, Natoms, NA, L, V, gray, mass, Ratom, k, T, dt, animation, s, d, r, boxbottom, boxtop, vert1, vert2, vert3, vert4, Atoms, p, apos, mfp, pavg, x, y, z, theta, phi, px, py, pz, i, deltav, nhisto, histo, xmax, ymax, gg, theory, dv, v, accum, vdist, nc, gmfp, cnts, ti, tiref, gti, t, ncoll, aposold, dist, v_square, vi, P, hitlist, j, ptot, posi, posj, vj, vrel, a, rrel, dx, dy, value, alpha, deltat, mtot, pcmi, pcmj, ij, sigma, gmfp0, MFP, Zco, z0, loc, nsteps;
| |
| − | version = RS_list_decorate([ "3.0", "glowscript" ]);
| |
| − | Array.prototype['+'] = function(r) {return this.concat(r)}
| |
| − | Array.prototype['*'] = function(r) {return __array_times_number(this, r)}
| |
| − | window.__GSlang = "vpython";
| |
| − | display = canvas;
| |
| − | vector = vec;
| |
| − | print = GSprint;
| |
| − | arange = range;
| |
| − | __name__ = "__main__";
| |
| − | type = pytype;
| |
| − | scene = canvas();
| |
| − | var strings = RS_modules.pythonize.strings;
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| − |
| |
| − | strings();
| |
| − | "5";
| |
| − | win = 500;
| |
| − | "7";
| |
| − | Natoms = 200;
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| − | "8";
| |
| − | NA = 6.022e23;
| |
| − | "10";
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| − | L = 1;
| |
| − | "11";
| |
| − | V = GS_power(L, 3);
| |
| − | "12";
| |
| − | gray = (await color.gray(.7));
| |
| − | "13";
| |
| − | mass = .004["/"](NA);
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| − | "14";
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| − | Ratom = .03;
| |
| − | "15";
| |
| − | k = 1.38064852e-23;
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| − | "16";
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| − | T = 298;
| |
| − | "17";
| |
| − | dt = 1e-5;
| |
| − | "19";
| |
| − | animation = RS_interpolate_kwargs.call(this, canvas, [RS_desugar_kwargs({width: win, height: win, align: "left"})]);
| |
| − | "20";
| |
| − | animation.range = L;
| |
| − | "21";
| |
| − | animation.title = "Simulation with "["+"](str(Natoms))["+"](" \"hard-sphere\" gas particles at T = ")["+"](str(T))["+"](" K");
| |
| − | "32";
| |
| − | s = "<b>Theoretical and simulated speed distributions.<\/b>\n Initially all atoms have the same speed, \n but collisions change the speeds of the \n colliding atoms. \n \n One of the atoms is marked and leaves a \n trail so you can follow its path.\n \n While speeds are realistic, the collision\n frequency and mean free path are not\n";
| |
| − | "33";
| |
| − | animation.caption = s;
| |
| − | "35";
| |
| − | d = L["/"](2)["+"](Ratom);
| |
| − | "36";
| |
| − | r = .005;
| |
| − | "37";
| |
| − | boxbottom = RS_interpolate_kwargs.call(this, curve, [RS_desugar_kwargs({color: gray, radius: r})]);
| |
| − | "38";
| |
| − | boxbottom.append(RS_list_decorate([ vector(d["-u"](), d["-u"](), d["-u"]()), vector(d["-u"](), d["-u"](), d), vector(d, d["-u"](), d), vector(d, d["-u"](), d["-u"]()), vector(d["-u"](), d["-u"](), d["-u"]()) ]));
| |
| − | "39";
| |
| − | boxtop = RS_interpolate_kwargs.call(this, curve, [RS_desugar_kwargs({color: gray, radius: r})]);
| |
| − | "40";
| |
| − | boxtop.append(RS_list_decorate([ vector(d["-u"](), d, d["-u"]()), vector(d["-u"](), d, d), vector(d, d, d), vector(d, d, d["-u"]()), vector(d["-u"](), d, d["-u"]()) ]));
| |
| − | "41";
| |
| − | vert1 = RS_interpolate_kwargs.call(this, curve, [RS_desugar_kwargs({color: gray, radius: r})]);
| |
| − | "42";
| |
| − | vert2 = RS_interpolate_kwargs.call(this, curve, [RS_desugar_kwargs({color: gray, radius: r})]);
| |
| − | "43";
| |
| − | vert3 = RS_interpolate_kwargs.call(this, curve, [RS_desugar_kwargs({color: gray, radius: r})]);
| |
| − | "44";
| |
| − | vert4 = RS_interpolate_kwargs.call(this, curve, [RS_desugar_kwargs({color: gray, radius: r})]);
| |
| − | "45";
| |
| − | vert1.append(RS_list_decorate([ vector(d["-u"](), d["-u"](), d["-u"]()), vector(d["-u"](), d, d["-u"]()) ]));
| |
| − | "46";
| |
| − | vert2.append(RS_list_decorate([ vector(d["-u"](), d["-u"](), d), vector(d["-u"](), d, d) ]));
| |
| − | "47";
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| − | vert3.append(RS_list_decorate([ vector(d, d["-u"](), d), vector(d, d, d) ]));
| |
| − | "48";
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| − | vert4.append(RS_list_decorate([ vector(d, d["-u"](), d["-u"]()), vector(d, d, d["-u"]()) ]));
| |
| − | "50";
| |
| − | Atoms = RS_list_decorate([]);
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| − | "51";
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| − | p = RS_list_decorate([]);
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| − | "52";
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| − | apos = RS_list_decorate([]);
| |
| − | "53";
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| − | mfp = RS_list_decorate([ 0 ])["*"](Natoms);
| |
| − | "54";
| |
| − | pavg = sqrt(2["*"](mass)["*"](1.5)["*"](k)["*"](T));
| |
| − | "56";
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| − | for (var RS_Index1 = 0; RS_Index1["<"](Natoms); RS_Index1++) {
| |
| − | i = RS_Index1;
| |
| − | "57";
| |
| − | x = L["*"](random())["-"](L["/"](2));
| |
| − | "58";
| |
| − | y = L["*"](random())["-"](L["/"](2));
| |
| − | "59";
| |
| − | z = L["*"](random())["-"](L["/"](2));
| |
| − | "60";
| |
| − | if ((i === 0 || typeof i === "object" && RS_equals(i, 0))) {
| |
| − | "61";
| |
| − | Atoms.append(RS_interpolate_kwargs.call(this, sphere, [RS_desugar_kwargs({pos: vector(x, y, z), radius: Ratom, color: color.cyan, make_trail: true, retain: 100, trail_radius: .3["*"](Ratom)})]));
| |
| − | "62";
| |
| − | } else {
| |
| − | Atoms.append(RS_interpolate_kwargs.call(this, sphere, [RS_desugar_kwargs({pos: vector(x, y, z), radius: Ratom, color: gray})]));
| |
| − | }
| |
| − | "63";
| |
| − | apos.append(vec(x, y, z));
| |
| − | "64";
| |
| − | theta = pi["*"](random());
| |
| − | "65";
| |
| − | phi = 2["*"](pi)["*"](random());
| |
| − | "66";
| |
| − | px = pavg["*"](sin(theta))["*"](cos(phi));
| |
| − | "67";
| |
| − | py = pavg["*"](sin(theta))["*"](sin(phi));
| |
| − | "68";
| |
| − | pz = pavg["*"](cos(theta));
| |
| − | "69";
| |
| − | p.append(vector(px, py, pz));
| |
| − | }
| |
| − | "71";
| |
| − | deltav = 100;
| |
| − | "73";
| |
| − | async function barx(v) {
| |
| − | "74";
| |
| − | return int(v["/"](deltav));
| |
| − | };
| |
| − | if (!barx.__argnames__) Object.defineProperties(barx, {
| |
| − | __argnames__ : {value: ["v"]},
| |
| − | __module__ : {value: null}
| |
| − | });
| |
| − |
| |
| − | "77";
| |
| − | nhisto = int(5e3["/"](deltav));
| |
| − | "79";
| |
| − | histo = RS_list_decorate([]);
| |
| − | "80";
| |
| − | for (var RS_Index2 = 0; RS_Index2["<"](nhisto); RS_Index2++) {
| |
| − | i = RS_Index2;
| |
| − | histo.append(0);
| |
| − | }
| |
| − | "81";
| |
| − | histo[RS_bound_index((await barx(pavg["/"](mass))), histo)] = Natoms;
| |
| − | "83";
| |
| − | xmax = sqrt(2["*"](k)["*"](T)["/"](mass))["+"](2.5["*"](sqrt(k["*"](T)["/"](mass))));
| |
| − | "84";
| |
| − | ymax = Natoms["*"](4)["*"](GS_power((mass["/"](2["*"](pi)["*"](k)["*"](T))), .5))["/"](2.3)["*"](deltav)["*"](1.2);
| |
| − | "85";
| |
| − | gg = RS_interpolate_kwargs.call(this, graph, [RS_desugar_kwargs({width: win, height: .4["*"](win), xmax: xmax, align: "left", xtitle: "speed, m/s", ytitle: "Number of atoms", ymax: ymax})]);
| |
| − | "88";
| |
| − | theory = RS_interpolate_kwargs.call(this, gcurve, [RS_desugar_kwargs({color: color.blue})]);
| |
| − | "89";
| |
| − | dv = 10;
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| − | "90";
| |
| − | var RS_Iter3 = range(0, 5001["+"](dv), dv);
| |
| − | RS_Iter3 = ((typeof RS_Iter3[Symbol.iterator] === "function") ? (RS_Iter3 instanceof Map ? RS_Iter3.keys() : RS_Iter3) : Object.keys(RS_Iter3));
| |
| − | for (var RS_Index3 of RS_Iter3) {
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| − | v = RS_Index3;
| |
| − | "91";
| |
| − | (await theory.plot(v, deltav["/"](dv)["*"](Natoms)["*"](4)["*"](pi)["*"](GS_power((mass["/"](2["*"](pi)["*"](k)["*"](T))), 1.5))["*"](exp(.5["-u"]()["*"](mass)["*"](GS_power(v, 2))["/"](k["*"](T))))["*"](GS_power(v, 2))["*"](dv)));
| |
| − | }
| |
| − | "93";
| |
| − | accum = RS_list_decorate([]);
| |
| − | "95";
| |
| − | var RS_Iter4 = range(int(5e3["/"](deltav)));
| |
| − | RS_Iter4 = ((typeof RS_Iter4[Symbol.iterator] === "function") ? (RS_Iter4 instanceof Map ? RS_Iter4.keys() : RS_Iter4) : Object.keys(RS_Iter4));
| |
| − | for (var RS_Index4 of RS_Iter4) {
| |
| − | i = RS_Index4;
| |
| − | accum.append(RS_list_decorate([ deltav["*"](i["+"](.5)), 0 ]));
| |
| − | }
| |
| − | "96";
| |
| − | vdist = RS_interpolate_kwargs.call(this, gvbars, [RS_desugar_kwargs({color: color.red, delta: deltav})]);
| |
| − | "98";
| |
| − | async function interchange(v1, v2) {
| |
| − | var RS_ls, barx1, barx2;
| |
| − | "99";
| |
| − | barx1 = (await barx(v1));
| |
| − | "100";
| |
| − | barx2 = (await barx(v2));
| |
| − | "101";
| |
| − | if ((barx1 === barx2 || typeof barx1 === "object" && RS_equals(barx1, barx2))) {
| |
| − | return;
| |
| − | }
| |
| − | "102";
| |
| − | if (barx1[">="](len(histo)) || barx2[">="](len(histo))) {
| |
| − | return;
| |
| − | }
| |
| − | "103";
| |
| − | histo[(typeof barx1 === "number" && barx1["<"](0)) ? histo.length["+"](barx1) : barx1]=histo[(typeof barx1 === "number" && barx1["<"](0)) ? histo.length["+"](barx1) : barx1]["-"](1);
| |
| − | "104";
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| − | histo[(typeof barx2 === "number" && barx2["<"](0)) ? histo.length["+"](barx2) : barx2]=histo[(typeof barx2 === "number" && barx2["<"](0)) ? histo.length["+"](barx2) : barx2]["+"](1);
| |
| − | };
| |
| − | if (!interchange.__argnames__) Object.defineProperties(interchange, {
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| − | __argnames__ : {value: ["v1", "v2"]},
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| − | __module__ : {value: null}
| |
| − | });
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| − |
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| − | "106";
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| − | async function checkCollisions() {
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| − | var RS_ls, hitlist, r2, ai, aj, dr, j, i;
| |
| − | "107";
| |
| − | hitlist = RS_list_decorate([]);
| |
| − | "108";
| |
| − | r2 = 2["*"](Ratom);
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| − | "109";
| |
| − | r2=r2["*"](r2);
| |
| − | "111";
| |
| − | for (var RS_Index5 = 0; RS_Index5["<"](Natoms); RS_Index5++) {
| |
| − | i = RS_Index5;
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| − | "112";
| |
| − | ai = apos[(typeof i === "number" && i["<"](0)) ? apos.length["+"](i) : i];
| |
| − | "113";
| |
| − | for (var RS_Index6 = 0; RS_Index6["<"](i); RS_Index6++) {
| |
| − | j = RS_Index6;
| |
| − | "114";
| |
| − | aj = apos[(typeof j === "number" && j["<"](0)) ? apos.length["+"](j) : j];
| |
| − | "115";
| |
| − | dr = ai["-"](aj);
| |
| − | "117";
| |
| − | if (mag2(dr)["<"](r2)) {
| |
| − | hitlist.append(RS_list_decorate([ i, j ]));
| |
| − | }
| |
| − | }
| |
| − | }
| |
| − | "119";
| |
| − | return hitlist;
| |
| − | };
| |
| − | if (!checkCollisions.__module__) Object.defineProperties(checkCollisions, {
| |
| − | __module__ : {value: null}
| |
| − | });
| |
| − |
| |
| − | "121";
| |
| − | nhisto = 0;
| |
| − | "122";
| |
| − | z = 0;
| |
| − | "123";
| |
| − | nc = 0;
| |
| − | "124";
| |
| − | gmfp = RS_list_decorate([ 0 ])["*"](Natoms);
| |
| − | "125";
| |
| − | cnts = RS_list_decorate([ 0 ])["*"](Natoms);
| |
| − | "126";
| |
| − | ti = RS_list_decorate([ 0 ])["*"](Natoms);
| |
| − | "127";
| |
| − | tiref = RS_list_decorate([ 0 ])["*"](Natoms);
| |
| − | "128";
| |
| − | gti = RS_list_decorate([ 0 ])["*"](Natoms);
| |
| − | "129";
| |
| − | t = 0;
| |
| − | "130";
| |
| − | ncoll = 0;
| |
| − | "132";
| |
| − | for (var RS_Index7 = 0; RS_Index7["<"](5e4); RS_Index7++) {
| |
| − | nsteps = RS_Index7;
| |
| − | "133";
| |
| − | (await rate(T));
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| − | "135";
| |
| − | var RS_Iter8 = range(len(accum));
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| − | RS_Iter8 = ((typeof RS_Iter8[Symbol.iterator] === "function") ? (RS_Iter8 instanceof Map ? RS_Iter8.keys() : RS_Iter8) : Object.keys(RS_Iter8));
| |
| − | for (var RS_Index8 of RS_Iter8) {
| |
| − | i = RS_Index8;
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| − | accum[(typeof i === "number" && i["<"](0)) ? accum.length["+"](i) : i][1] = nhisto["*"](accum[(typeof i === "number" && i["<"](0)) ? accum.length["+"](i) : i][1])["+"](histo[(typeof i === "number" && i["<"](0)) ? histo.length["+"](i) : i])["/"](nhisto["+"](1));
| |
| − | }
| |
| − | "136";
| |
| − | if (RS_equals(nhisto["%"](10), 0)) {
| |
| − | "137";
| |
| − | vdist.data = accum;
| |
| − | }
| |
| − | "138";
| |
| − | nhisto=nhisto["+"](1);
| |
| − | "141";
| |
| − | t = t["+"](dt);
| |
| − | "142";
| |
| − | for (var RS_Index9 = 0; RS_Index9["<"](Natoms); RS_Index9++) {
| |
| − | i = RS_Index9;
| |
| − | "143";
| |
| − | aposold = apos[(typeof i === "number" && i["<"](0)) ? apos.length["+"](i) : i];
| |
| − | "144";
| |
| − | Atoms[(typeof i === "number" && i["<"](0)) ? Atoms.length["+"](i) : i].pos = apos[(typeof i === "number" && i["<"](0)) ? apos.length["+"](i) : i] = apos[(typeof i === "number" && i["<"](0)) ? apos.length["+"](i) : i]["+"](p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i]["/"](mass)["*"](dt));
| |
| − | "145";
| |
| − | ti[(typeof i === "number" && i["<"](0)) ? ti.length["+"](i) : i] = t["-"](tiref[(typeof i === "number" && i["<"](0)) ? tiref.length["+"](i) : i]);
| |
| − | "147";
| |
| − | dist = GS_power((GS_power((apos[(typeof i === "number" && i["<"](0)) ? apos.length["+"](i) : i].x["-"](aposold.x)), 2)["+"](GS_power((apos[(typeof i === "number" && i["<"](0)) ? apos.length["+"](i) : i].y["-"](aposold.y)), 2))["+"](GS_power((apos[(typeof i === "number" && i["<"](0)) ? apos.length["+"](i) : i].z["-"](aposold.z)), 2))), .5);
| |
| − | "148";
| |
| − | mfp[(typeof i === "number" && i["<"](0)) ? mfp.length["+"](i) : i] = mfp[(typeof i === "number" && i["<"](0)) ? mfp.length["+"](i) : i]["+"](dist);
| |
| − | }
| |
| − | "150";
| |
| − | v_square = 0;
| |
| − | "151";
| |
| − | for (var RS_Index10 = 0; RS_Index10["<"](Natoms); RS_Index10++) {
| |
| − | i = RS_Index10;
| |
| − | "152";
| |
| − | vi = p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i]["/"](mass);
| |
| − | "153";
| |
| − | v_square = v_square["+"](vi.x["*"](vi.x))["+"](vi.y["*"](vi.y))["+"](vi.z["*"](vi.z));
| |
| − | }
| |
| − | "155";
| |
| − | P = mass["*"](v_square)["/"](3)["/"](V);
| |
| − | "159";
| |
| − | hitlist = (await checkCollisions());
| |
| − | "164";
| |
| − | var RS_Iter11 = hitlist;
| |
| − | RS_Iter11 = ((typeof RS_Iter11[Symbol.iterator] === "function") ? (RS_Iter11 instanceof Map ? RS_Iter11.keys() : RS_Iter11) : Object.keys(RS_Iter11));
| |
| − | for (var RS_Index11 of RS_Iter11) {
| |
| − | ij = RS_Index11;
| |
| − | "165";
| |
| − | i = ij[0];
| |
| − | "166";
| |
| − | j = ij[1];
| |
| − | "167";
| |
| − | gmfp[(typeof i === "number" && i["<"](0)) ? gmfp.length["+"](i) : i]=gmfp[(typeof i === "number" && i["<"](0)) ? gmfp.length["+"](i) : i]["+"](mfp[(typeof i === "number" && i["<"](0)) ? mfp.length["+"](i) : i]);
| |
| − | "168";
| |
| − | gmfp[(typeof j === "number" && j["<"](0)) ? gmfp.length["+"](j) : j]=gmfp[(typeof j === "number" && j["<"](0)) ? gmfp.length["+"](j) : j]["+"](mfp[(typeof j === "number" && j["<"](0)) ? mfp.length["+"](j) : j]);
| |
| − | "169";
| |
| − | gti[(typeof i === "number" && i["<"](0)) ? gti.length["+"](i) : i]=gti[(typeof i === "number" && i["<"](0)) ? gti.length["+"](i) : i]["+"](ti[(typeof i === "number" && i["<"](0)) ? ti.length["+"](i) : i]);
| |
| − | "170";
| |
| − | gti[(typeof j === "number" && j["<"](0)) ? gti.length["+"](j) : j]=gti[(typeof j === "number" && j["<"](0)) ? gti.length["+"](j) : j]["+"](ti[(typeof j === "number" && j["<"](0)) ? ti.length["+"](j) : j]);
| |
| − | "171";
| |
| − | cnts[(typeof i === "number" && i["<"](0)) ? cnts.length["+"](i) : i]=cnts[(typeof i === "number" && i["<"](0)) ? cnts.length["+"](i) : i]["+"](1);
| |
| − | "172";
| |
| − | cnts[(typeof j === "number" && j["<"](0)) ? cnts.length["+"](j) : j]=cnts[(typeof j === "number" && j["<"](0)) ? cnts.length["+"](j) : j]["+"](1);
| |
| − | "173";
| |
| − | mfp[(typeof i === "number" && i["<"](0)) ? mfp.length["+"](i) : i] = 0;
| |
| − | "174";
| |
| − | mfp[(typeof j === "number" && j["<"](0)) ? mfp.length["+"](j) : j] = 0;
| |
| − | "175";
| |
| − | tiref[(typeof i === "number" && i["<"](0)) ? tiref.length["+"](i) : i] = t;
| |
| − | "176";
| |
| − | tiref[(typeof j === "number" && j["<"](0)) ? tiref.length["+"](j) : j] = t;
| |
| − | "177";
| |
| − | ptot = p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i]["+"](p[(typeof j === "number" && j["<"](0)) ? p.length["+"](j) : j]);
| |
| − | "178";
| |
| − | posi = apos[(typeof i === "number" && i["<"](0)) ? apos.length["+"](i) : i];
| |
| − | "179";
| |
| − | posj = apos[(typeof j === "number" && j["<"](0)) ? apos.length["+"](j) : j];
| |
| − | "180";
| |
| − | vi = p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i]["/"](mass);
| |
| − | "181";
| |
| − | vj = p[(typeof j === "number" && j["<"](0)) ? p.length["+"](j) : j]["/"](mass);
| |
| − | "182";
| |
| − | vrel = vj["-"](vi);
| |
| − | "183";
| |
| − | a = vrel.mag2;
| |
| − | "184";
| |
| − | if ((a === 0 || typeof a === "object" && RS_equals(a, 0))) {
| |
| − | continue;
| |
| − | }
| |
| − | "185";
| |
| − | rrel = posi["-"](posj);
| |
| − | "186";
| |
| − | if (rrel.mag["<"](Ratom)) {
| |
| − | "188";
| |
| − | continue;
| |
| − | }
| |
| − | "191";
| |
| − | dx = dot(rrel, vrel.hat);
| |
| − | "192";
| |
| − | dy = cross(rrel, vrel.hat).mag;
| |
| − | "195";
| |
| − | value = dy["/"](2["*"](Ratom));
| |
| − | "196";
| |
| − | if (value[">"](1)) {
| |
| − | value = 1;
| |
| − | }
| |
| − | "197";
| |
| − | if (value["<"](1["-u"]())) {
| |
| − | value = 1["-u"]();
| |
| − | }
| |
| − | "198";
| |
| − | alpha = asin(value);
| |
| − | "199";
| |
| − | d = 2["*"](Ratom)["*"](cos(alpha))["-"](dx);
| |
| − | "200";
| |
| − | deltat = d["/"](vrel.mag);
| |
| − | "204";
| |
| − | posi = posi["-"](vi["*"](deltat));
| |
| − | "205";
| |
| − | posj = posj["-"](vj["*"](deltat));
| |
| − | "207";
| |
| − | mtot = 2["*"](mass);
| |
| − | "208";
| |
| − | pcmi = p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i]["-"](ptot["*"](mass)["/"](mtot));
| |
| − | "209";
| |
| − | pcmj = p[(typeof j === "number" && j["<"](0)) ? p.length["+"](j) : j]["-"](ptot["*"](mass)["/"](mtot));
| |
| − | "210";
| |
| − | rrel = norm(rrel);
| |
| − | "211";
| |
| − | pcmi = pcmi["-"](2["*"]((await pcmi.dot(rrel)))["*"](rrel));
| |
| − | "212";
| |
| − | pcmj = pcmj["-"](2["*"]((await pcmj.dot(rrel)))["*"](rrel));
| |
| − | "213";
| |
| − | p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i] = pcmi["+"](ptot["*"](mass)["/"](mtot));
| |
| − | "214";
| |
| − | p[(typeof j === "number" && j["<"](0)) ? p.length["+"](j) : j] = pcmj["+"](ptot["*"](mass)["/"](mtot));
| |
| − | "215";
| |
| − | apos[(typeof i === "number" && i["<"](0)) ? apos.length["+"](i) : i] = posi["+"](p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i]["/"](mass)["*"](deltat));
| |
| − | "216";
| |
| − | apos[(typeof j === "number" && j["<"](0)) ? apos.length["+"](j) : j] = posj["+"](p[(typeof j === "number" && j["<"](0)) ? p.length["+"](j) : j]["/"](mass)["*"](deltat));
| |
| − | "217";
| |
| − | (await interchange(vi.mag, p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].mag["/"](mass)));
| |
| − | "218";
| |
| − | (await interchange(vj.mag, p[(typeof j === "number" && j["<"](0)) ? p.length["+"](j) : j].mag["/"](mass)));
| |
| − | }
| |
| − | "219";
| |
| − | ncoll=ncoll["+"](len(hitlist));
| |
| − | "220";
| |
| − | sigma = pi["*"](GS_power((2["*"](Ratom)), 2));
| |
| − | "221";
| |
| − | gmfp0 = k["*"](T)["/"](P)["/"](sigma["*"](GS_power(2, .5)));
| |
| − | "222";
| |
| − | MFP = 0;
| |
| − | "223";
| |
| − | Zco = 0;
| |
| − | "224";
| |
| − | for (var RS_Index12 = 0; RS_Index12["<"](Natoms); RS_Index12++) {
| |
| − | i = RS_Index12;
| |
| − | "225";
| |
| − | if (cnts[(typeof i === "number" && i["<"](0)) ? cnts.length["+"](i) : i][">"](0)) {
| |
| − | "226";
| |
| − | MFP=MFP["+"](gmfp[(typeof i === "number" && i["<"](0)) ? gmfp.length["+"](i) : i]["/"](cnts[(typeof i === "number" && i["<"](0)) ? cnts.length["+"](i) : i]));
| |
| − | "227";
| |
| − | Zco=Zco["+"](cnts[(typeof i === "number" && i["<"](0)) ? cnts.length["+"](i) : i]["/"](gti[(typeof i === "number" && i["<"](0)) ? gti.length["+"](i) : i]));
| |
| − | }
| |
| − | }
| |
| − | "229";
| |
| − | z0 = Natoms["/"](V)["*"](sigma)["*"](sqrt(2))["*"](sqrt(8["*"](k)["*"](T)["/"](pi)["/"](mass)));
| |
| − | "230";
| |
| − | if ((nsteps === 0 || typeof nsteps === "object" && RS_equals(nsteps, 0))) {
| |
| − | print(" Time Coll. freq. Mean free path");
| |
| − | }
| |
| − | "231";
| |
| − | if (RS_equals(nsteps["%"](500), 0)) {
| |
| − | print(t, ncoll["/"](t)["/"](Natoms)["*"](2), z0, MFP["/"](Natoms), gmfp0);
| |
| − | }
| |
| − | "233";
| |
| − | for (var RS_Index13 = 0; RS_Index13["<"](Natoms); RS_Index13++) {
| |
| − | i = RS_Index13;
| |
| − | "234";
| |
| − | loc = apos[(typeof i === "number" && i["<"](0)) ? apos.length["+"](i) : i];
| |
| − | "235";
| |
| − | if (abs(loc.x)[">"](L["/"](2))) {
| |
| − | "236";
| |
| − | if (loc.x["<"](0)) {
| |
| − | p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].x = abs(p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].x);
| |
| − | } else {
| |
| − | p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].x = abs(p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].x)["-u"]();
| |
| − | }
| |
| − | "239";
| |
| − | }
| |
| − | if (abs(loc.y)[">"](L["/"](2))) {
| |
| − | "240";
| |
| − | if (loc.y["<"](0)) {
| |
| − | p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].y = abs(p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].y);
| |
| − | } else {
| |
| − | p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].y = abs(p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].y)["-u"]();
| |
| − | }
| |
| − | "243";
| |
| − | }
| |
| − | if (abs(loc.z)[">"](L["/"](2))) {
| |
| − | "244";
| |
| − | if (loc.z["<"](0)) {
| |
| − | p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].z = abs(p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].z);
| |
| − | } else {
| |
| − | p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].z = abs(p[(typeof i === "number" && i["<"](0)) ? p.length["+"](i) : i].z)["-u"]();
| |
| − | }
| |
| − | }
| |
| − | }
| |
| − | }
| |
| − | };
| |
| − | if (!__main__.__module__) Object.defineProperties(__main__, {
| |
| − | __module__ : {value: null}
| |
| − | });
| |
| − |
| |
| − | ;$(function(){ window.__context = { glowscript_container: $("#glowscript").removeAttr("id") }; __main__() })})()
| |
| − | // END JAVASCRIPT
| |
| − |
| |
| − | //--><!]]></script>
| |
| − | </div>
| |
| − |
| |
| − | </html>
| |
