炭素原子のページに戻る
トップページ（２電子原子も含む新ボーア模型）
このプログラムは少し長いので、下に示すソースプログラムをコピーして、テキストエディタ（メモ帳など）にそのまま貼り付けて、コンパイルすれば簡単に実行できる。
このプログラムの class file name は cavis1 なので、このデキストエディタを "cavis1.java" のファイル名で保存してコンパイルしてほしい。
このプログラムでは、炭素原子核（灰色の円）は、(9285.6 MM, 12499 MM, 11857 MM) に位置している。
ここでは、新しい単位として ( 1 MM = 10-14 meter, 1 SS = 10-21 second, 1 MM/SS = 107 m/s ) を使っている。
テキストボックス内の電子の各座標 (+X (MM), +Y (MM), +Z (MM)) は、この原子核からの”相対的な”位置座標を示している。
"VX: VY: VZ" は電子の初速度の各成分の比を示している。
つまり、(VX: VY; VZ)=(100:100;0) は、(VX: VY: VZ) = (10:10:0) と同じ意味である。
スクロールバーの中から、ド・ブロイ波の数 wn = (0.1 -- 2.0) を選んで、"orbit" ボタンをクリックすると、このプログラムは、軌道に含まれるド・ブロイ波の数が wn になるまで電子軌道計算を続ける。
それから、"retur" ボタンをクリックすると、すべての電子は、また最初のスタートラインの状態に戻ることができる。
また、各電子の座標と速度ベクトルの方向は、テキストボックス内の値をかえて、"Enter" キーを押せば、自由に変更可能である。
また、"radiu" ボタンの隣のテキストボックスに r (MM) の値を入力して "radiu" ボタンをクリックすれば、４つの電子の正四面体の大きさ（半径）が変化する。
import java.awt.*;
import java.awt.event.*;
import javax.swing.*;
import java.util.Scanner;
public class cavis1 extends JPanel // visualization of carbon atom
{ // nuclear charge = 4.0
public static void main(String arg[])
{ // set frame
JFrame frame = new JFrame("visualization of oxygen");
J2DPanel j2dpanel = new J2DPanel();
frame.getContentPane().add(j2dpanel);
frame.setSize(1180,700);
frame.setVisible(true);
frame.setBackground(Color.black);
frame.setDefaultCloseOperation(JFrame.EXIT_ON_CLOSE);
}
}
class J2DPanel extends JPanel implements AdjustmentListener, ActionListener
{
double pai=3.141592653589793; double epsi=8.85418781787346e-12;
double h=6.62606896e-34; double elc=1.60217653e-19;
double me=9.1093826e-31; double den=4.0; // den= nuclear charge=4.0
JTextField elp[][]=new JTextField[4][7]; // coordinate and velocity text
JTextField impho=new JTextField(7);
JButton b1=new JButton("orbit"); // button definition
JButton b2=new JButton("retur");
JButton b3=new JButton("radiu");
String ope[]={"0.1","0.3","0.5","0.7","0.9","1.1","1.3","1.5","1.7","1.9","2.0"};
JComboBox coom=new JComboBox(ope); // de Broglie's wave selection
double rtw=Math.sqrt(2); double rth=Math.sqrt(3); double rsi=Math.sqrt(6);
double rfi=Math.sqrt(5); int marki[]={0,0,0,0,0,0,0,0}; // marki=marking
double hpr[][]=new double[4][7]; double hhpr[][]=new double[4][7];
double nux[]={9285.64, 12499.90, 11857.08}; // nux=nucleus coordinate (MM)
public J2DPanel()
{
setBackground(Color.black);
JPanel p=new JPanel(); p.setLayout(new GridLayout(7,8));
String vv,zww; int aaa=0;
for (int el=0; el <=3; el++) { // elp[el][0-2]=each electron's coordinate
for (int pos=0; pos <=2; pos++) {
elp[el][pos]=new JTextField(7); elp[el][pos].addActionListener(this);
}}
for (int el=0; el <=3; el++) {
for (int pos=3; pos <=6; pos++) { // elp[][3-6]=other parameterts of electron
elp[el][pos]=new JTextField(7);
if (pos > 3) {elp[el][pos].addActionListener(this);}
}}
// layout
String mida[][]={{"Nucleus", "X = 9285.6", "Y = 12499", "Z = 11857",
" --- ", " --- ", " --- ", " --- "},
{"Electron","+ X (MM)","+ Y (MM)","+ Z (MM)", "nuc(MM)"," VX : ", " VY : ", " VZ : "}};
for (int ett=0; ett <=1; ett++) {
for (int pos=0; pos <=7; pos++) {
p.add(new Label(mida[ett][pos]));}}
for (int el=0; el <=3; el++) {
p.add(new Label("ele "+el+" "));
for (int pos=0; pos <=6; pos++) {
p.add(elp[el][pos]); elp[el][pos].setText("0");
}}
p.add(b1); p.add(coom); p.add(b2); p.add(b3); p.add(impho);
p.add(new Label(" --- ")); p.add(new Label(" --- ")); p.add(new Label(" --- "));
impho.setText("4890"); coom.setSelectedItem("1.9");
b1.addActionListener(this);b2.addActionListener(this);b3.addActionListener(this);
add(p,"South");
// hpr[0-3][0-2]=initial coordinates of electrons
double sd1=4890.0; double sd2=sd1/rtw;
hpr[0][0]=sd1+nux[0]; hpr[1][0]=nux[0]-sd1; hpr[2][0]=nux[0]; hpr[3][0]=nux[0];
hpr[0][1]=nux[1]; hpr[3][1]=nux[1]-sd1; hpr[1][1]=nux[1]; hpr[2][1]=nux[1]+sd1;
hpr[0][2]=nux[2]+sd2; hpr[1][2]=hpr[0][2]; hpr[2][2]=nux[2]-sd2; hpr[3][2]=hpr[2][2];
double zah1=0.0; int zai1=0;
for (int el=0; el <=3; el++) {
for (int pos=0; pos <=2; pos++) { // calculate coordinate to two decimal places
// change to the relative coordinate
zai1=(int)(100*(hpr[el][pos]-nux[pos])); zah1=zai1/100.0;
elp[el][pos].setText(Double.toString(zah1)); hhpr[el][pos]=hpr[el][pos];
}}
// initial velocity vector of electron
double velo[][]={{0,100,0},{0,-100,0},{-100,0,0},{100,0,0}};
for (int el=0; el <=3; el++) {
for (int pos=0; pos <=2; pos++) {
hpr[el][pos+4]=velo[el][pos]; hhpr[el][pos+4]=hpr[el][pos+4];
// set initial velocity vector of electron
elp[el][pos+4].setText(Double.toString((double)velo[el][pos]));
}}
double inik=0.0; // initial distance between nucleus and electron
for (int el=0; el <=3; el++) {
inik=Math.sqrt((hpr[el][0]-nux[0])*(hpr[el][0]-nux[0])+
(hpr[el][1]-nux[1])*(hpr[el][1]-nux[1])+(hpr[el][2]-nux[2])*(hpr[el][2]-nux[2]));
hpr[el][3]=inik; hhpr[el][3]=inik;
aaa=(int)(inik*100.0); inik=aaa/100.0; // calculate the diatance to two decimal places
elp[el][3].setText(Double.toString(inik));
}
} // method end
public void adjustmentValueChanged(AdjustmentEvent e) {
repaint();
}
public void actionPerformed(ActionEvent e) {
String ss;
int RR; double Rf1,Rf2,Rf3,Rf4; int teis=0;
for (int ett=0; ett <=3; ett++) { // when coordinate texts change
for (int sws=0; sws <=2; sws++) { // marki[2] becomes 2 only after orbiting
if (e.getSource()==elp[ett][sws] && marki[2] !=2 ) {
marki[4]=1;
ss=elp[ett][sws].getText(); Rf1=Double.parseDouble(ss);
Rf2=(Rf1+nux[sws])/71.428; // plus nuclear coordinate and change to pixel
Rf3=Rf1+nux[sws]; hpr[ett][sws]=Rf3; hhpr[ett][sws]=Rf3;
// upper and lower limits of coordinate
if (Rf2 > 319 && sws==0) {Rf3=319*71.428;teis=1;}
if (Rf2 > 349 && sws==2) {Rf3=349*71.428;teis=1;}
if (Rf2 > 349 && sws==1) {Rf3=349*71.428;teis=1;}
if (Rf2 < 1) {Rf3=71.428;teis=1;}
RR=(int)(100*(Rf3-nux[sws])); // change to relative coordinate
Rf1=RR/100.0;
if (teis==1) {elp[ett][sws].setText(Double.toString(Rf1));}
}}}
if (e.getSource() == b1 && marki[2] !=2) {marki[0]=1;}
if (e.getSource() == b2) {marki[1]=1;} // b2=return to the starting points
if (e.getSource() == b3 && marki[2] !=2) { // change radius of tetrahedron
marki[4]=1; // marki[4] becomes 1 when coordinates change
ss=impho.getText(); Rf1=Double.parseDouble(ss);
Rf2=Rf1/rtw;
hpr[0][0]=Rf1+nux[0]; hpr[1][0]=nux[0]-Rf1; hpr[2][0]=nux[0]; hpr[3][0]=nux[0];
hpr[0][1]=nux[1]; hpr[3][1]=nux[1]-Rf1; hpr[1][1]=nux[1]; hpr[2][1]=nux[1]+Rf1;
hpr[0][2]=nux[2]+Rf2; hpr[1][2]=hpr[0][2]; hpr[2][2]=nux[2]-Rf2; hpr[3][2]=hpr[2][2];
for (int ett=0; ett <=3; ett++) {
for (int sws=0; sws <=2; sws++) { // calculate the values to two decimal places
RR=(int)(100*(hpr[ett][sws]-nux[sws])); Rf1=RR/100.0;
elp[ett][sws].setText(Double.toString(Rf1));
hhpr[ett][sws]=hpr[ett][sws];
}}
}
repaint();
}
public void update(Graphics g) {
paint(g);
}
public void paintComponent(Graphics g) {
double kro,krr,krk,pot,pota,potb,gx,gy,gz; int ex,ey,ez,xk,yk,zk; String ww,pyw;
double rhp[][]= {{0,0},{0,0},{0,0},{0,0}};
int qpp[][]=new int[4][3];
double ggx,ggy,ggz; double ttav,toav; int tttav;
ggx=0.0; ex=0;
if (marki[2] != 2) { // get values from textfield
for (int ett=0; ett <=3; ett++) {
for (int sws=3; sws <=6; sws++) {
ww=elp[ett][sws].getText(); ggx=Double.parseDouble(ww);
hpr[ett][sws]=ggx; hhpr[ett][sws]=hpr[ett][sws];
}}}
if (marki[1]==1 && marki[2]==2) { // return to the starting points
for (int qz=0; qz <=3; qz++) {
for (int ka=0; ka <=6; ka++) {
if (ka < 3) {ggx=hpr[qz][ka]-nux[ka]; ex=(int)(100*ggx); ggx=ex/100.0;}
else {ex=(int)(100*hpr[qz][ka]); ggx=ex/100.0; }
elp[qz][ka].setText(Double.toString(ggx));
hhpr[qz][ka]=hpr[qz][ka];
}}
marki[1]=0; marki[2]=0;
}
if (marki[2] !=2) { // before calculation of electron's orbit
toav=0.0; // toav =total potential energy
for (int yp=0; yp <=3; yp++) { // calculate repulsive forces between electrons
for (int kj=0; kj <= 3; kj++) {
if (yp < kj ) {
// kro=distance between electrons
kro=Math.sqrt((hpr[yp][0]-hpr[kj][0])*(hpr[yp][0]-hpr[kj][0])+
(hpr[yp][1]-hpr[kj][1])*(hpr[yp][1]-hpr[kj][1])+(hpr[yp][2]-hpr[kj][2])*(hpr[yp][2]-hpr[kj][2]));
if (kro==0) {kro=5000.0;}
// pot=potential energy between electrons (eV)
pot=(elc*elc*6.241509e18)/(4*pai*epsi*kro*1.0e-14);
// rhp[][0]=potential energy of each electron
rhp[yp][0]=rhp[yp][0]+pot/2; rhp[kj][0]=rhp[kj][0]+pot/2;
toav=toav+pot;
}
} }
for (int rv=0; rv <=3; rv++) {
// kro=distance between C nucleus and electrons
kro=Math.sqrt((hpr[rv][0]-nux[0])*(hpr[rv][0]-nux[0])+
(hpr[rv][1]-nux[1])*(hpr[rv][1]-nux[1])+(hpr[rv][2]-nux[2])*(hpr[rv][2]-nux[2]));
if (kro == 0) {kro=5000.0;}
hpr[rv][3]=kro; hhpr[rv][3]=kro;
ex=(int)(100.0*kro); ggx=ex/100.0; // calculate to two decimal place
elp[rv][3].setText(Double.toString(ggx)); // show nuc(MM)
ttav= (-den*elc*elc*6.241509e18)/(4*pai*epsi*kro*1.0e-14);
rhp[rv][0]=rhp[rv][0]+ttav; toav=toav+ttav; // add potential energy
}
// distribute each kinetic energy based on each V
gy=-148.024/4.0; // -148.024=total energy(eV) of carbon (of four valence electrons)
for (int rv=0; rv <=3; rv++) {
rhp[rv][1]=gy-rhp[rv][0]; // rhp[][1]=kinetic energy (eV)
}
} // if (marki[2] !=2 ) end
// ----------orbit calculation start ----------
if (marki[0]==1) { // put orbit button
double sj[][]=new double[4][13]; double wn=0.0; double nvx[]=new double[3];
String pew=(String)coom.getSelectedItem();
if (pew == "0.1") {wn=0.1;} if (pew == "0.3") {wn=0.3;}
if (pew == "0.5") {wn=0.5;} if (pew == "0.7") {wn=0.7;}
if (pew == "0.9") {wn=0.9;} if (pew == "1.1") {wn=1.1;}
if (pew == "1.3") {wn=1.3;} if (pew == "1.5") {wn=1.5;}
if (pew == "1.7") {wn=1.7;} if (pew == "1.9") {wn=1.9;}
if (pew == "2.0") {wn=2.0;}
for (int kj=0; kj <=2; kj++) {
nvx[kj]=nux[kj]*1.0e-14; } // change MM to meter in C nucleus
for (int yp=0; yp <=3; yp++) {
sj[yp][9]=0.0; // sj[][9]=number of de Broglie's waves
gx=Math.sqrt(hpr[yp][4]*hpr[yp][4]+hpr[yp][5]*hpr[yp][5]+hpr[yp][6]*hpr[yp][6]);
gy=Math.sqrt((2.0*rhp[yp][1]*1.602177e-19)/me); // gy=initial velocity (m/s)
for (int kj=0; kj <=2; kj++) {
sj[yp][kj] = hpr[yp][kj]; sj[yp][kj+6]=sj[yp][kj]; //sj[][0-2], sj[][6-8] =each coordinate
sj[yp][kj+3]=(gy*1.0e-7*hpr[yp][kj+4])/gx; // sj[][3-5] =each component of velocity(MM/SS)
sj[yp][kj+10]=0.0; // sj[][10-12] =each component of acceleration (MM/SS^2)
}}
double ac=(elc*elc)/(4*pai*epsi*me);
do {
for (int yp=0; yp <=3; yp++) {
for (int kj=0; kj <=2; kj++) {
sj[yp][kj]=sj[yp][kj+6]+sj[yp][kj+3]; // electron's position(MM) after 1SS
sj[yp][10+kj]=0.0;
}}
for (int yp=0; yp <=3; yp++) {
gx=sj[yp][3]*sj[yp][3]+sj[yp][4]*sj[yp][4]+sj[yp][5]*sj[yp][5];
sj[yp][9]=sj[yp][9]+(me*gx*1.0e-7)/h; // add de Brogli's waves
for (int kj=0; kj <=2; kj++) {
sj[yp][kj+6]=sj[yp][kj+6]*1.0e-14; // change MM to meter
}}
for (int yp=0; yp <=3; yp++) { // interaction between electrons
for (int kj=0; kj <=3; kj++) {
if (yp < kj) { // gy=distances between electrons
gy=Math.sqrt((sj[yp][6]-sj[kj][6])*(sj[yp][6]-sj[kj][6])+
(sj[yp][7]-sj[kj][7])*(sj[yp][7]-sj[kj][7])+(sj[yp][8]-sj[kj][8])*(sj[yp][8]-sj[kj][8]));
for (int rv=0; rv <=2; rv++) {
gx=(1.0e-28*ac*(sj[yp][rv+6]-sj[kj][rv+6]))/(gy*gy*gy); // set acceleration(gx) at sj[][10-12]
sj[yp][rv+10]=sj[yp][rv+10]+gx ;sj[kj][rv+10]=sj[kj][rv+10]-gx ;
}}}}
for (int yp=0; yp <=3; yp++) { // gy=distances between electron and C nucleus
gy=Math.sqrt((sj[yp][6]-nvx[0])*(sj[yp][6]-nvx[0])+
(sj[yp][7]-nvx[1])*(sj[yp][7]-nvx[1])+(sj[yp][8]-nvx[2])*(sj[yp][8]-nvx[2]));
for (int rv=0; rv <=2; rv++) {
gx=(1.0e-28*den*ac*(sj[yp][rv+6]-nvx[rv]))/(gy*gy*gy); // gx=acceleration by nucleus
sj[yp][rv+10]=sj[yp][rv+10]-gx;
}}
for (int yp=0; yp <=3; yp++) {
for (int kj=0; kj <=2; kj++) {
sj[yp][kj+6]=sj[yp][kj];
sj[yp][kj+3]=sj[yp][kj+3]+sj[yp][kj+10]; // change velocity vector
}}
} while (sj[0][9] < wn ); // repeat above until de Broglie's waves becomes wn
marki[2]=2; // marki[2] becomes 2 only after orbit calculation
for (int yp=0; yp <=3; yp++) {
for (int kj=0; kj <=2; kj++) {
hhpr[yp][kj]=sj[yp][kj]; ggx=sj[yp][kj]/71.428; // ggx=pixel
// upper and lower limits of coordinates
if (ggx > 319 && kj==0) {ggx=319; hhpr[yp][kj]=ggx*71.428; }
if (ggx > 349 && kj==1) {ggx=349; hhpr[yp][kj]=ggx*71.428;}
if (ggx > 349 && kj==2) {ggx=349; hhpr[yp][kj]=ggx*71.428;}
if (ggx < 1) {ggx=1; hhpr[yp][kj]=ggx*71.428;}
yk=(int)(100.0*(hhpr[yp][kj]-nux[kj])); gx=yk/100.0; // calculate to two decimal places
elp[yp][kj].setText(Double.toString(gx));
ggx=Math.sqrt(sj[yp][3]*sj[yp][3]+sj[yp][4]*sj[yp][4]+sj[yp][5]*sj[yp][5]);
ggy=(1000*sj[yp][kj+3])/ggx; ex=(int)ggy; hhpr[yp][kj+4]=ggy;
elp[yp][kj+4].setText(Double.toString((double)ex)); // print each component of velocity
}
ggz=Math.sqrt((hhpr[yp][0]-nux[0])*(hhpr[yp][0]-nux[0])+
(hhpr[yp][1]-nux[1])*(hhpr[yp][1]-nux[1])+(hhpr[yp][2]-nux[2])*(hhpr[yp][2]-nux[2]));
hhpr[yp][3]=ggz;
ex=(int)(ggz*100.0); ggx=ex/100.0; // calculate to two decimal place
elp[yp][3].setText(Double.toString(ggx)); // show distance between nucleus and electron
}
} // if (mark[0]==1) end
if (marki[2] != 2 || marki[0]==1 ) { // show each particle on the screen
for (int yp=0; yp <=3; yp++) {
pota=Math.sqrt(60)*4.25; // velocity line length (pixel)
potb=Math.sqrt(hhpr[yp][4]*hhpr[yp][4]+hhpr[yp][5]*hhpr[yp][5]+hhpr[yp][6]*hhpr[yp][6]) ;
// qpp[][0-2]=each component of velocity for print
ggx=(pota*hhpr[yp][4])/potb; qpp[yp][0]=(int)ggx;
ggx=(pota*hhpr[yp][5])/potb; qpp[yp][1]=(int)ggx;
ggx=(pota*hhpr[yp][6])/potb; qpp[yp][2]=(int)ggx;
}
int nmx[]=new int[3]; int hpk[][]=new int[4][4];
for (int kj=0; kj <=2; kj++) {
nmx[kj]=(int)(nux[kj]/71.428); // change to pixel in nucleus coordinate
}
for (int yp=0; yp <=3; yp++) {
for (int kj=0; kj <=2; kj++) { // change to pixel in electron coordinate
hpk[yp][kj]=(int)(hhpr[yp][kj]/71.428);
}}
g.clearRect(9,299,1170,699);
g.setColor(Color.cyan); g.drawLine(345,310,345,660); g.drawLine(675,310,675,660);
g.setColor(Color.lightGray); // show C nucleus on x-y, x-z, y-z planes
g.fillOval(nmx[0]+10,650-nmx[1],20,20);g.fillOval(340+nmx[0],650-nmx[2],20,20);
g.fillOval(670+nmx[1],650-nmx[2],20,20);
// show particle and velocity vector of electron 0
g.setColor(Color.white);
g.fillOval(hpk[0][0]+13,653-hpk[0][1],14,14);
g.fillOval(hpk[0][0]+343,653-hpk[0][2],14,14);
g.fillOval(hpk[0][1]+673,653-hpk[0][2],14,14);
g.drawLine(hpk[0][0]+20,660-hpk[0][1], hpk[0][0]+20+qpp[0][0],660-hpk[0][1]-qpp[0][1]);
g.drawLine(hpk[0][0]+350,660-hpk[0][2], hpk[0][0]+350+qpp[0][0],660-hpk[0][2]-qpp[0][2]);
g.drawLine(hpk[0][1]+680,660-hpk[0][2],hpk[0][1]+680+qpp[0][1],660-hpk[0][2]-qpp[0][2]);
// show electron 1
g.setColor(Color.yellow);
g.fillOval(hpk[1][0]+13,653-hpk[1][1],14,14);
g.fillOval(hpk[1][0]+343,653-hpk[1][2],14,14);
g.fillOval(hpk[1][1]+673,653-hpk[1][2],14,14);
g.drawLine(hpk[1][0]+20,660-hpk[1][1], hpk[1][0]+20+qpp[1][0],660-hpk[1][1]-qpp[1][1]);
g.drawLine(hpk[1][0]+350,660-hpk[1][2], hpk[1][0]+350+qpp[1][0],660-hpk[1][2]-qpp[1][2]);
g.drawLine(hpk[1][1]+680,660-hpk[1][2],hpk[1][1]+680+qpp[1][1],660-hpk[1][2]-qpp[1][2]);
// show electron 2
g.setColor(Color.red);
g.fillOval(hpk[2][0]+13,653-hpk[2][1],14,14);
g.fillOval(hpk[2][0]+343,653-hpk[2][2],14,14);
g.fillOval(hpk[2][1]+673,653-hpk[2][2],14,14);
g.drawLine(hpk[2][0]+20,660-hpk[2][1], hpk[2][0]+20+qpp[2][0],660-hpk[2][1]-qpp[2][1]);
g.drawLine(hpk[2][0]+350,660-hpk[2][2], hpk[2][0]+350+qpp[2][0],660-hpk[2][2]-qpp[2][2]);
g.drawLine(hpk[2][1]+680,660-hpk[2][2],hpk[2][1]+680+qpp[2][1],660-hpk[2][2]-qpp[2][2]);
// show electron 3
g.setColor(Color.green);
g.fillOval(hpk[3][0]+13,653-hpk[3][1],14,14);
g.fillOval(hpk[3][0]+343,653-hpk[3][2],14,14);
g.fillOval(hpk[3][1]+673,653-hpk[3][2],14,14);
g.drawLine(hpk[3][0]+20,660-hpk[3][1], hpk[3][0]+20+qpp[3][0],660-hpk[3][1]-qpp[3][1]);
g.drawLine(hpk[3][0]+350,660-hpk[3][2], hpk[3][0]+350+qpp[3][0],660-hpk[3][2]-qpp[3][2]);
g.drawLine(hpk[3][1]+680,660-hpk[3][2],hpk[3][1]+680+qpp[3][1],660-hpk[3][2]-qpp[3][2]);
// show each electron's number
for (int rw=0; rw <=3; rw++) {
g.setColor(Color.blue);
g.drawString(Integer.toString(rw),hpk[rw][0]+17,665-hpk[rw][1]);
g.drawString(Integer.toString(rw),hpk[rw][0]+347,665-hpk[rw][2] );
g.drawString(Integer.toString(rw),hpk[rw][1]+677,665-hpk[rw][2] );
}
marki[0]=0;
} // if (marki[2] !=2 || marki[0] =1) end
}}