CVMに基づくNi-Al合金の

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1 CV N-A (-' by T.Koyama

2 ennard-jones fcc α, β, γ, δ β α γ δ = or α, β. γ, δ α β γ ( αβγ w = = k k k ( αβγ w = ( αβγ ( αβγ w = w = ( αβγ w = ( αβγ w = ( αβγ w = ( αβγ w = ( αβγ w =

3 ( βγδ w = = k k k ( αγδ w = = k k k ( αβδ w = = k w k wk = wk wk wk wk ( ( αβγ ( βγδ ( αγδ ( αβδ ( ( αβ α β y = = k, ( αβ y = ( αβ y = ( αβ y = ( αβ y = ( βγ y = = k, k k k k ( γδ y = = k k k k k ( αδ y = =, ( αγ y = = k k, k k k k ( βδ y = =, y y = y y y y y y 6 ( ( αβ ( βγ ( γδ ( αδ ( αγ ( βδ (

4 ( α x α = = k,, ( α x = ( α x = ( β x = = k,, ( γ x = = k, k k k k k k k k ( δ x = =, k x x = x x x x ( ( α ( β ( γ ( δ (3 8- e ( r= e 8 r r r H G r K J ( e r r E E = ω e ( r y = ω( e y e y e y e y ( y 3

5 E = ω e ( r y ( αβ ( βγ ( γδ ( αδ ( αγ ( βδ = ω e ( r( y y y y y y ( ( e ( r y e ( r y e ( r y = ω ( ( e ( r y e ( r y e ( r y αβ αβ ( αβ αβ αβ ( αβ ( ( e ( r y ek ( r y k ek ( r yk k, k, = ω ( ( e ( r y e ( r y e ( r y αβ βγ ( γδ αδ αγ ( βδ k k, k,, e ( r( e ( r( k k k k k k, = ω ek ( r( k k k k e ( r( e ( r( e ( r( k,, k, k k k k k, e ( r ek ( r ek ( r k, k,, k, = ω e ( r e ( r e ( r k, k, k,,, k, e ( r ek ( r ek ( r, k, = ω e ( r e ( r e ( r k = ω { e ( r e ( r e ( r e ( r e ( r e ( r = ω e ( r k k k ( e = e ek e ek e ek (6 (3 x

6 ( α ( α ( β ( β ( γ ( γ ( δ ( δ x x = ( x x x x x x x x N N = k k k k k k,, k,, k,, k,,,,, k, k = p p p = ( p p p p = p k k p k (7 p =, p = p = p p p p (8 k CV S = k ( ( αβ ( βγ ( γδ ( y ( y ( y ( αδ ( αγ ( βδ ( y ( y ( y ( α ( β ( γ ( δ x ( x ( x ( x ( m S T r U V W (9 x ( = xnx x ( (9 ( = ( ( ( ( ( ( ( ( ( ( ( ( ( ( ( ( ( αβ ( αβ ( αβ ( αβ ( αβ ( y = ( y ( y ( y ( y = ( ( ( (

7 ( ( ( x ( α = x ( α x ( α = ( ( (9 x ( = n x = n x x ( S S T ( αβ ( βγ ( γδ n( y n( y n( y n( ( αδ ( αγ ( βδ = k n( y n( y n( y ( α ( β ( γ ( δ mn( x n( x n( x n( x r αβ βγ γδ αδ αγ βδ α = k n( n( y y y y y y n( x x ( ( ( ( ( ( ( ( β ( γ ( δ x x U V W ( G = v µ( x x ( ((9( ( αβ ( βγ ( γδ ( y ( y ( y ( ( αδ ( αγ ( βδ y ( y ( y ( = ω e ( r kt ( α ( β ( γ ( δ mx ( x ( x ( x ( r S T U V W (3 λ g g G λ = v µ ( x x λ (3(7 6

8 g v µ ( x x λ = ω e ( r kt ( v µ p λ S T ( αβ ( βγ ( γδ ( y ( y ( y m r ( αδ ( αγ ( βδ ( y ( y ( y ( α ( β ( γ ( δ x ( x ( x ( x ( U V W ( g = g = ω e ( r ( αβ ( βγ ( γδ ( αδ ( αγ ( βδ ( α ( β ( γ ( δ kt n( n( y y y y y y n( x x x x µ p λ = d c h 8 / h / αβ λ ω e r µ p y y ( d exp exp kt kt kt c ( αβ ( βγ ( γδ ( αδ ( αγ ( βδ n( n( y y y y y y ω e ( r kt µ p α β γ δ ( ( ( ( n( x x x x λ = ( αβ ( βγ ( γδ ( αδ ( αγ ( βδ / ω 8 kt e r n( n y y y y y y ( ( α ( β ( γ ( δ / n x x x x d c µ λ 8kT p kt ( α ( β ( γ ( δ x x x x = λ ω µ n αβ βγ γδ αδ αγ βδ y y y y y y kt kt e ( r 8kT p ( ( ( ( ( ( = exp H G η exp 8 ω e ( r µ p exp kt 8kT d ( ( βγ y y y y y y y y y y ( γδ ( αδ ( αγ ( βδ x x x x ( αβ ( βγ ( γδ ( αδ ( αγ ( βδ c x x x x ( α ( β ( γ ( δ h ( α ( β ( γ ( δ 8 / / h 8 / / = ( (6 7

9 = η exp H G λ kt λ λ = = η exp H G exp kt kt λ = ktn = η H G η (7 g g v = λ g g = v λ = v k Tn = (7 η (8 g v = g = ω v e ( r v e ( r v = ω = (9 fcc fcc v r ( r 3 3 dr = v r = v 3r dr = dv = dv 3r (6 8

10 de dr d = ( dr e e e e e e k k k ( de ( r = e dr 7 H G K J 3 r r r r 8 8 e r r r r = 8 8 r e r r r = ( {( 9 r r r r H G 9 de ( r de de de de de k k dek dr = S dv H G dr K J H G dr K J H G dr K J H G dr K J H G dr K J H G dr K J T V W H G K J dv 8 e ( r {( r r ek ( rk {( rk r e ( r {( r r = 9 r e ( r {( r r e ( r {( r r e ( r {( r r 3r 8 = 3r k k k e ( r {( r r e ( r {( r r e ( r {( r r k k k e ( r {( r r e ( r {( r r e ( r {( r r k k k k k k U H G r r k k k (9 H G K J e ( r v 8 3r = ω e ( r {( r r ek ( rk {( rk r e ( r {( r r e ( r {( r r e ( r {( r r e ( r {( r r k k k k k k e ( r {( r r ek ( rk {( rk r e ( r {( r r e ( r {( r r e ( r {( r r e ( r {( r r k k k k k k 9 r r e ( r e k ( r k e ( r = e ω = ω 9 = r ω ( r e ( r e ( r k k k k e ( r e ( r e ( r e ( r e ( r e ( r k k k k k k 9 r r e ( r e ( r e ( r e ( r e ( r e ( r ω k k k k k k ( ( ( ( ( ( e r ek rk e r ek rk e r ek rk = ( e, r ( r = r * = 9

11 r = S T e ( r e ( r e ( r e ( r e ( r e ( r k k k k k k e ( r e ( r e ( r e ( r e ( r e ( r k k k k k k U V W / ( T e, r ω x r * :( :(N αβγδ β, γ, δ = = = = = = = = αβγδ αβγδ αβγδ αβγδ αβγδ αβγδ αβγδ αβγδ αβγδ αβγδ αβγδ αβγδ αβγδ αβγδ αβγδ αβγδ

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