-
Notifications
You must be signed in to change notification settings - Fork 3
/
Mg_Si_Zn.tdb
153 lines (138 loc) · 8.64 KB
/
Mg_Si_Zn.tdb
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
$ Database file written 2009-8-25
$ Made by Man Wang
ELEMENT /- ELECTRON_GAS 0.0000E+00 0.0000E+00 0.0000E+00!
ELEMENT VA VACUUM 0.0000E+00 0.0000E+00 0.0000E+00!
ELEMENT MG HCP_A3 2.4305E+01 4.9980E+03 3.2671E+01!
ELEMENT SI DIAMOND_A4 2.8085E+01 3.2175E+03 1.8820E+01!
ELEMENT ZN HCP_A3 6.5380E+01 5.6567E+03 4.1631E+01!
$------------------------------FUNCTIONS------------------------------------
FUNCTION GHSERMG 298.15 -8367.34+143.675547*T-26.1849782*T*LN(T)
+4.858E-04*T**2-1.393669E-06*T**3+78950*T**(-1); 923 Y
-14130.185+204.716215*T-34.3088*T*LN(T)+1.038192E+28*T**(-9); 3000 N !
FUNCTION GHSERSI 298.15 -8162.609+137.236859*T-22.8317533*T*LN(T)
-.001912904*T**2-3.552E-09*T**3+176667*T**(-1); 1687 Y
-9457.642+167.281367*T-27.196*T*LN(T)-4.20369E+30*T**(-9); 3600 N !
FUNCTION GHSERZN 298.15 -7285.787+118.470069*T-23.701314*T*LN(T)
-.001712034*T**2-1.264963E-06*T**3; 692.68 Y
-11070.559+172.34566*T-31.38*T*LN(T)+4.70514E+26*T**(-9); 3000 N !
FUNCTION GBCCZN 298.15 +2886.96-2.5104*T+GHSERZN; 6000 N !
FUNCTION GBCCMG 298.15 +3100-2.1*T+GHSERMG; 6000 N !
FUNCTION LB2ZNVA 298.15 -2257.4895; 6000 N !
FUNCTION GB2ZNVA 298.15 25222.7027; 6000 N !
FUNCTION UMGSI 298.15 0.0; 6000 N !
FUNCTION UMGZN 298.15 0.0; 6000 N !
FUNCTION USIZN 298.15 0.0; 6000 N !
FUNCTION UN_ASS 298.15 0; 300 N !
TYPE_DEFINITION % SEQ *!
DEFINE_SYSTEM_DEFAULT ELEMENT 2 !
DEFAULT_COMMAND DEF_SYS_ELEMENT VA /- !
$------------------------------PHASES------------------------------------
$------------------------------LIQUID------------------------------------
PHASE LIQUID % 1 1.0 !
CONSTITUENT LIQUID :MG,SI,ZN : !
PARAMETER G(LIQUID,MG;0) 2.98150E+02 +8202.243-8.83693*T+GHSERMG
-8.0176E-20*T**7; 923 Y
+8690.316-9.392158*T+GHSERMG-1.038192E+28*T**(-9); 6000 N !
PARAMETER G(LIQUID,SI;0) 298.15 +50696.4-30.0994*T
+2.09307E-21*T**7+GHSERSI; 1687 Y
+49828.2-29.5591*T+4.20369E+30*T**(-9)+GHSERSI; 6000 N !
PARAMETER G(LIQUID,ZN;0) 298.15 -128.574+108.177079*T-23.701314*T*LN(T)
-.001712034*T**2-1.264963E-06*T**3-3.58958E-19*T**7; 692.68 Y
-3620.391+161.608594*T-31.38*T*LN(T); 1700 N !
PARAMETER G(LIQUID,MG,ZN;0) 298.15 -77729.24+680.52266*T
-95*T*LN(T)+.04*T**2; 6000 N !
PARAMETER G(LIQUID,MG,ZN;1) 298.15 +3674.72+.57139*T; 6000 N !
PARAMETER G(LIQUID,MG,ZN;2) 298.15 -1588.15; 6000 N !
PARAMETER G(LIQUID,MG,SI;0) 298.15 -70055+24.98*T; 6000 N !
PARAMETER G(LIQUID,MG,SI;1) 298.15 -1300; 6000 N !
PARAMETER G(LIQUID,MG,SI;2) 298.15 6272; 6000 N !
PARAMETER G(LIQUID,SI,ZN;0) 298.15 7829.25; 6000 N !
PARAMETER G(LIQUID,SI,ZN;1) 298.15 -3338.18; 6000 N !
PARAMETER G(LIQUID,SI,ZN;2) 298.15 -891.33; 6000 N !
PARAMETER G(LIQUID,MG,SI,ZN;0) 298.15 -118047.9+91.62*T; 6000 N !
$------------------------------BCC_A2------------------------------
PHASE BCC_A2 % 2 1 3 !
CONSTITUENT BCC_A2 : MG,SI,ZN : VA : !
PARAMETER G(BCC_A2,MG:VA;0) 298.15 +3100-2.1*T+GHSERMG; 6000 N !
PARAMETER G(BCC_A2,SI:VA;0) 298.15 +47000-22.5*T+GHSERSI; 6000 N !
PARAMETER G(BCC_A2,ZN:VA;0) 298.15 +GBCCZN; 6000 N !
PARAMETER G(BCC_A2,MG,ZN:VA;0) 298.15 -10000; 6000 N !
PARAMETER G(BCC_A2,SI,ZN:VA;0) 298.15 +80*T; 6000 N !
$------------------------------DIAMOND_A4-------------------------------
PHASE DIAMOND_A4 % 1 1.0 !
CONSTITUENT DIAMOND_A4 :SI%,ZN : !
PARAMETER G(DIAMOND_A4,SI;0) 298.15 +GHSERSI; 6000 N !
PARAMETER G(DIAMOND_A4,ZN;0) 298.15 +30*T+GHSERZN; 6000 N !
PARAMETER G(DIAMOND_A4,SI,ZN;0) 298.15 +100*T; 6000 N !
$------------------------------FCC_A1-------------------------------
PHASE FCC_A1 % 2 1 1 !
CONSTITUENT FCC_A1 : MG,SI,ZN : VA : !
PARAMETER G(FCC_A1,MG:VA;0) 298.15 +2600-.9*T+GHSERMG; 6000 N !
PARAMETER G(FCC_A1,SI:VA;0) 298.15 +51000-21.8*T+GHSERSI; 6000 N !
PARAMETER G(FCC_A1,ZN:VA;0) 298.15 +2969.82-1.56968*T+GHSERZN; 6000 N !
PARAMETER G(FCC_A1,MG,SI:VA;0) 298.15 -7148.79+.89361*T; 6000 N !
PARAMETER G(FCC_A1,MG,ZN:VA;1) 298.15 -3127.26+5.65563*T; 6000 N !
PARAMETER G(FCC_A1,SI,ZN:VA;0) 298.15 +80*T; 6000 N !
$------------------------------HCP_A3-----------------------------------
TYPE_DEFINITION * GES A_P_D HCP_A3 MAGNETIC -3.0 2.80000E-01 !
PHASE HCP_A3 %* 2 1 .5 !
CONSTITUENT HCP_A3 :MG%,SI,ZN% : VA% : !
PARAMETER G(HCP_A3,MG:VA;0) 298.15 +GHSERMG; 6000 N !
PARAMETER G(HCP_A3,SI:VA;0) 298.15 +49200-20.8*T+GHSERSI; 6000 N !
PARAMETER G(HCP_A3,ZN:VA;0) 298.15 +2970-1.57*T+GHSERZN; 6000 N !
PARAMETER G(HCP_A3,MG,ZN:VA;0) 298.15 -3056.82+5.63801*T; 6000 N !
PARAMETER G(HCP_A3,MG,ZN:VA;1) 298.15 -3127.26+5.65563*T; 6000 N !
PARAMETER G(HCP_A3,MG,SI:VA;0) 298.15 -7148.79+.89361*T; 6000 N !
PARAMETER G(HCP_A3,SI,ZN:VA;0) 298.15 +80*T; 6000 N !
$------------------------------HCP_ZN------------------------------------
PHASE HCP_ZN % 2 1 .5 !
CONSTITUENT HCP_ZN :MG,SI,ZN% : VA% : !
PARAMETER G(HCP_ZN,MG:VA;0) 298.15 +100+GHSERMG; 6000 N !
PARAMETER G(HCP_ZN,SI:VA;0) 298.15 +49201-20.8*T+GHSERSI; 6000 N !
PARAMETER G(HCP_ZN,ZN:VA;0) 298.15 +GHSERZN; 6000 N!
PARAMETER G(HCP_ZN,MG,SI:VA;0) 298.15 1E-04; 6000 N !
PARAMETER G(HCP_ZN,MG,ZN:VA;0) 298.15 -3056.82+5.63801*T; 6000 N !
PARAMETER G(HCP_ZN,MG,ZN:VA;1) 298.15 -3127.26+5.65563*T; 6000 N !
PARAMETER G(HCP_ZN,SI,ZN:VA;0) 298.15 +80*T; 6000 N !
$------------------------------MG2SI ---------------------------------
PHASE MG2SI % 2 .5 .25 !
CONSTITUENT MG2SI :MG : SI : !
PARAMETER G(MG2SI,MG:SI;0) 298.15 -16177.5+3.8967*T+.5*GHSERMG
+.25*GHSERSI; 6000 N !
$------------------------------MG2ZN11------------------------------------
PHASE MG2ZN11 % 2 2 11 !
CONSTITUENT MG2ZN11 :MG : SI,ZN : !
PARAMETER G(MG2ZN11,MG:ZN;0) 298.15 -73818.32+18.45457*T
+2*GHSERMG+11*GHSERZN; 6000 N !
PARAMETER G(MG2ZN11,MG:SI;0) 298.15 8.05339E+06
+2*GHSERMG+11*GHSERSI; 6000 N !
PARAMETER G(MG2ZN11,MG:SI,ZN;0) 298.15 -8.28805E+06; 6000 N !
$------------------------------MG2ZN3------------------------------------
PHASE MG2ZN3 % 2 2 3 !
CONSTITUENT MG2ZN3 :MG : ZN% : !
PARAMETER G(MG2ZN3,MG:ZN;0) 298.15 -54406.2+13.60156*T+2*GHSERMG
+3*GHSERZN; 6000 N !
$------------------------------ MG51ZN20------------------------------------
PHASE MG51ZN20 % 2 51 20 !
CONSTITUENT MG51ZN20 :MG : ZN : !
PARAMETER G(MG51ZN20,MG:ZN;0) 298.15 -335741.54+35.5*T+51*GHSERMG
+20*GHSERZN; 6000 N !
$------------------------------MGZN------------------------------------
PHASE MGZN % 2 12 13 !
CONSTITUENT MGZN :MG : ZN% : !
PARAMETER G(MGZN,MG:ZN;0) 298.15 -236980.84+59.24524*T+12*GHSERMG
+13*GHSERZN; 6000 N !
$------------------------------MgZn2----------------------------------
PHASE MgZn2 % 2 2 1 !
CONSTITUENT MgZn2 :MG,ZN% : MG%,ZN : !
PARAMETER G(MgZn2,MG:MG;0) 298.15 +15000+3*GHSERMG; 6000 N !
PARAMETER G(MgZn2,ZN:MG;0) 298.15 -35355.45+8.83886*T+GHSERMG
+2*GHSERZN; 6000 N !
PARAMETER G(MgZn2,MG:ZN;0) 298.15 +65355.45-8.83886*T+GHSERZN
+2*GHSERMG; 6000 N !
PARAMETER G(MgZn2,ZN:ZN;0) 298.15 +15000+3*GHSERZN; 6000 N !
PARAMETER G(MgZn2,MG,ZN:MG;0) 298.15 35000; 6000 N !
PARAMETER G(MgZn2,MG:MG,ZN;0) 298.15 8000; 6000 N !
PARAMETER G(MgZn2,ZN:MG,ZN;0) 298.15 8000; 6000 N !
PARAMETER G(MgZn2,MG,ZN:ZN;0) 298.15 35000; 6000 N !
$ Info for "the Mg-Si-Zn system"