LIQUID
|
EXCESS MODEL IS REDLICH-KISTER_MUGGIANU |
CONSTITUENTS: SI,TI |
G(LIQUID,SI;0)-H298(DIAMOND_A4,SI;0) = |
298.15<T< 1687.00: +50696.4-30.0994*T+2.09307E-21*T**7+GHSERSI |
1687.00<T< 6000.00: +49828.2-29.5591*T+4.20369E+30*T**(-9)+GHSERSI |
G(LIQUID,TI;0)-H298(HCP_A3,TI;0) = |
298.15<T< 1300.00: +12194.415-6.980938*T+GHSERTI |
1300.00<T< 1941.00: +368610.36-2620.99904*T+357.005867*T*LN(T)-.155262855*T**2+1.2254402E-05*T**3-65556856*T**(-1)+GHSERTI |
1941.00<T< 6000.00: +104639.72-340.070171*T+40.9282461*T*LN(T)-.008204849*T**2+3.04747E-07*T**3-36699805*T**(-1)+GHSERTI |
L(LIQUID,SI,TI;0) = -255852.17+21.87411*T |
L(LIQUID,SI,TI;1) = +25025.35-2.00203*T |
L(LIQUID,SI,TI;2) = +83940.65-6.71526*T |
BCC_A2
|
EXCESS MODEL IS REDLICH-KISTER_MUGGIANU |
2 SUBLATTICES, SITES 1: 3 |
CONSTITUENTS: SI,TI: VA |
G(BCC_A2,SI:VA;0)-H298(DIAMOND_A4,SI;0) = +47000-22.5*T+GHSERSI |
G(BCC_A2,TI:VA;0)-H298(HCP_A3,TI;0) = |
298.15<T< 1155.00: -1272.064+134.71418*T-25.5768*T*LN(T) |
-6.63845E-04*T**2-2.78803E-07*T**3+7208*T**(-1) |
1155.00<T< 1941.00: +6667.385+105.366379*T-22.3771*T*LN(T)+ |
.00121707*T**2-8.4534E-07*T**3-2002750*T**(-1) |
1941.00<T< 4000.00: +26483.26-182.426471*T+19.0900905*T*LN(T) |
-.02200832*T**2+1.228863E-06*T**3+1400501*T**(-1) |
L(BCC_A2,SI,TI:VA;0) = -275629.1+42.5094*T |
L(BCC_A2,SI,TI:VA;1) = +25025.35-2.00203*T |
L(BCC_A2,SI,TI:VA;2) = +83940.65-6.71526*T |
DIAMOND_A4
|
EXCESS MODEL IS REDLICH-KISTER_MUGGIANU |
CONSTITUENTS: SI,TI |
G(DIAMOND_A4,SI;0)-H298(DIAMOND_A4,SI;0) = +GHSERSI |
G(DIAMOND_A4,TI;0)-H298(HCP_A3,TI;0) = +25000+GHSERTI |
L(DIAMOND_A4,SI,TI;0) = +80*T |
HCP_A3
|
EXCESS MODEL IS REDLICH-KISTER_MUGGIANU |
2 SUBLATTICES, SITES 1: .5 |
CONSTITUENTS: SI,TI : VA |
G(HCP_A3,SI:VA;0)-H298(DIAMOND_A4,SI;0) = +49200-20.8*T+GHSERSI |
G(HCP_A3,TI:VA;0)-H298(HCP_A3,TI;0) = +GHSERTI |
L(HCP_A3,SI,TI:VA;0) = -302731.04+69.08469*T |
L(HCP_A3,SI,TI:VA;1) = +25025.35-2.00203*T |
L(HCP_A3,SI,TI:VA;2) = +83940.65-6.71526*T |
SI2TI
|
2 SUBLATTICES, SITES 2: 1 |
CONSTITUENTS: SI: TI |
G(SI2TI,SI:TI;0)-2*H298(DIAMOND_A4,SI;0)-H298(HCP_A3,TI;0) = |
-175038.5+4.548*T+GHSERTI+2*GHSERSI |
SI4TI5
|
2 SUBLATTICES, SITES 4: 5 |
CONSTITUENTS: SI : TI |
G(SI4TI5,SI:TI;0)-4*H298(DIAMOND_A4,SI;0)-5*H298(HCP_A3,TI;0) = |
-711000+22.37355*T+4*GHSERSI+5*GHSERTI |
SITI
|
2 SUBLATTICES, SITES 1: 1 |
CONSTITUENTS: SI : TI |
G(SITI,SI:TI;0)-H298(DIAMOND_A4,SI;0)-H298(HCP_A3,TI;0) = -155061.7 |
+7.6345*T+GHSERSI+GHSERTI |
SITI3
|
2 SUBLATTICES, SITES 1: 3 |
CONSTITUENTS: SI : TI |
G(SITI3,SI:TI;0)-H298(DIAMOND_A4,SI;0)-3*H298(HCP_A3,TI;0) = +V1+V2*T +V3*T*LN(T) +GHSERSI+3*GHSERTI |
SI3TI5
|
EXCESS MODEL IS REDLICH-KISTER_MUGGIANU |
3 SUBLATTICES, SITES 2: 3: 3 |
CONSTITUENTS: SI,TI : SI,TI: TI |
G(SI3TI5,SI:SI:TI;0)- 5*H298(DIAMOND_A4,SI;0)-3*H298(HCP_A3,TI;0) = |
+V11+V12*T+5*GHSERSI+3*GHSERTI |
G(SI3TI5,TI:SI:TI;0)-3*H298(DIAMOND_A4,SI;0)-5*H298(HCP_A3,TI;0) = |
+V21+V22*T+5*GHSERTI+3*GHSERSI |
G(SI3TI5,SI:TI:TI;0)-2*H298(DIAMOND_A4,SI;0)-6*H298(HCP_A3,TI;0) = |
+V31+V32*T+2*GHSERSI+6*GHSERTI |
G(SI3TI5,TI:TI:TI;0)-8*H298(HCP_A3,TI;0) = +40000+20*T+8*GHSERTI |
L(SI3TI5,SI:SI,TI:TI;0) = +V41+V42*T |
L(SI3TI5,TI:SI,TI:TI;0) = +V41+V42*T |
L(SI3TI5,SI,TI:SI:TI;0) = +V51+V52*T |
L(SI3TI5,SI,TI:TI:TI;0) = +V51+V52*T |