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Elastic Moduli and Elastic Constants of Alloy AuCuSi With FCC Structure Under Pressure

  • Nguyen Quang Hoc , Bui Duc Tinh ORCID logo EMAIL logo and Nguyen Duc Hien
Published/Copyright: September 26, 2018

Abstract

This paper studies on the dependence of the mean nearest neighbor distance, the Young modulus E, the bulk modulus K, the rigidity modulus G and the elastic constants C11, C12, C44 on temperature, pressure, the concentration of substitution atoms and the concentration of interstitial atoms for alloy AuCuSi (substitution alloy AuCu with interstitial atom Si) with FCC structure by the way of the statistical moment method (SMM). The numerical results for alloy AuCuSi are compared with the numerical results for main metal Au, substitution alloy AuCu, interstitial alloy AuSi, other calculated results and experiments.

Introduction

There are many theoretical and experimental works on thermodynamic and elastic properties of metals and alloys [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].

The main metal in alloy AuCuSi is Au. At 0.1 MPa, Au has a FCC structure with a=0.40785 nm at 25 °C and melting point at 1064  C. The melting curve of Au was studied by the Hugoniot calculation and by the statistical moment method (SMM) [8, 9, 10].

Thermodynamic and elastic properties of metals, substitution alloy and interstitial alloy are studied by the SMM [11, 12, 13]

This paper derives the theory of elastic deformation for substitution alloy AB with interstitial atom C and face-centered cubic (FCC) structure under pressure by the SMM and the obtained theory is applied to alloy AuCuSi.

Content of research

Analytic results

In interstitial alloy AC with FCC structure, the cohesive energy of the atom C (in body center of cubic unit cell) with the atoms A (in face centers and peaks of cubic unit cell) in the approximation of three coordination spheres with the center C and the radii r1,r13,r15 is determined by [11, 12, 13]

(1)u0C=12i=1niφAC(ri)=12[6φAC(r1)+8φAC(r13)+24φAC(r15)]==3φAC(r1)+4φAC(r13)+12φAC(r15),

where φAC is the interaction potential between the atom A and the atom C, ni is the number of atoms on the ith coordination sphere with the radius ri(i=1,2,3),r1r1C=r01C+y0A1(T) is the nearest neighbor distance between the interstitial atom C and the metallic atom A at temperature T, r01C is the nearest neighbor distance between the interstitial atom C and the metallic atom A at 0 K and is determined from the minimum condition of the cohesive energy u0C, y0A1(T) is the displacement of the atom A1 (the atom A stays in the face centers of cubic unit cell) from equilibrium position at temperature T. The alloy’s parameters for the atom C in the approximation of three coordination spheres have the form [11, 12, 13].

(2)kC=12i2φACuiβ2eq=φAC(2)r1+2r1φAC(1)r1+43φAC(2)r13++839r1φAC(1)r13+4φAC(2)r15+855r1φAC(1)r15,γ1C=148i4φACuiβ4eq=124φAC(4)(r1)+14r12φAC(2)(r1)14r13φAC(1)(r1)+154φAC(4)(r13)+2327r1φAC(3)(r13)227r12φAC(2)(r13)+2381r13φAC(1)(r13)+17150φAC(4)(r15)++85125r1φAC(3)(r15)+125r12φAC(2)(r15)5125r13φAC(1)(r15),γ2C=648i4φACuiα2uiβ2eq=12r1φAC(3)(r1)34r12φAC(2)(r1)++34r13φAC(1)(r1)+14φAC(4)(r12)+28r1φAC(3)(r12)++78r12φAC(2)(r1C2)7216r13φAC(1)(r1C2)+425φAC(4)(r15)++265125r1φAC(3)(r15)325r12φAC(2)(r15)+35125r13φAC(1)(r15),γC=4γ1C+γ2C,

where φAC(m)(ri)=mφAC(ri)/rim(m=1,2,3,4),α,β=x,y,z,αβ and uiβ is the displacement of the ith atom in the direction β.

The cohesive energy of the atom A1 with the atoms in crystalline lattice and the corresponding alloy’s parameters in the approximation of three coordination spheres with the center A1 is determined by [11, 12, 13].

(3)u0A1=u0A+φAC(r1A1),kA1=kA+12i[(2φACuiβ2)eq]r=r1A1=kA+φAC(2)(r1A1),γA1=4(γ1A1+γ2A1),γ1A1=γ1A+148i[(4φACuiβ4)eq]r=r1A1=γ1A+124φAC(4)(r1A1),γ2A1=γ2A+648i[(4φACuiα2uiβ2)eq]r=r1A1=γ2A+14r1A1φAC(3)(r1A1)12r1A12φAC(2)(r1A1)+12r1A13φAC(1)(r1A1)

where r1A1=r01A1+y0C(T) is the nearest neighbor distance between the atom A1 and atoms in crystalline lattice at temperature T, r01A1 is the nearest neighbor distance between the atom A1 and atoms in crystalline lattice at 0 K and is determined from the minimum conditioning of the cohesive energy u0A1, y0C(T) is the displacement of the atom C from equilibrium position at temperature T and u0A is the cohesive energy between atoms in clean metal A.

The cohesive energy of the atom A2 with the atoms in crystalline lattice and the corresponding alloy’s parameters in the approximation of three coordination spheres with the center A2 is determined by [11, 12, 13].

(4)u0A2==u0A+φACr1A2,kA2=kA+12i2φACuiβ2eqr=r1A2=kA+2φAC(2)r1A2+4r1A2φAC(1)r1A2,γ1A2=γ1A+148i4φACuiβ4eqr=r1A2=γ1A+124φAC(4)(r1A2)+14r1A2φAC(3)(r1A2)18r1A22φAC(2)(r1A2)++18r1A23φAC(1)(r1A2),γ2A2=γ2A+648i4φACuiα2uiβ2eqr=r1A2=γ2A+18φAC(4)(r1A2)++14r1A2φAC(3)(r1A2)+38r1A22φAC(2)(r1A2)38r1A23φAC(1)(r1A2),γA2=4γ1A2+γ2A2,

where r1A2=r01A2+y0A2(T),r01A2 is the nearest neighbor distance between the atom A2 and atoms in crystalline lattice at 0K and is determined from the minimum condition of the cohesive energy u0A2,y0A2(T) is the displacement of the atom A2 at temperature T.

In eqs. (3) and (4), u0A,kA,γ1A,γ2A are the corresponding quantities in clean metal A in the approximation of two coordination sphere [11, 12, 13].

The equation of state for interstitial alloy AC with FCC structure at temperature T and pressure P is written in the form

(5)PvX=r1X16(u0Xr1X+θxXcthxX12kXkXr1X),vX=4r1X333.

At 0 K and pressure P, this equation has the form

(6)PvX=r1X(16u0Xr1X+ωX4kXkXr1X).

If knowing the form of interaction potential φi0,eq. (6) permits us to determine the nearest neighbor distance r1XP,0X=C,A,A1,A2 at 0 K and pressure P. After knowing r1XP,0, we can determine alloy parameters kX(P,0),γ1X(P,0),γ2X(P,0),γX(P,0) at 0 K and pressure P. After that, we can calculate the displacements [11, 12, 13]

(7)y0X(P,T)=2γX(P,0)θ23kX3(P,0)AX(P,T),       AX=a1X+i=25(γXθkX2)iaiX,kX=mωX2,xX=ωX2θ,a1X=1+YX2,a2X=133+476YX+236YX2+12YX3,a3X=(253+1216YX+503YX2+163YX3+12YX4),                 a4X=433+932YX+1693YX2+833YX3+224YX4+12YX5,     a5X=(1033+7496YX+3633YX2+7333YX3+1483YX4+536YX5+12YX6),a6X=65+5612YX+14893YX2+9272YX3+7333YX4+1452YX5+313YX6+12YX7,YXxXcothxX.

From that, we derive the nearest neighbor distance r1XP,T at temperature T and pressure P

(8)r1C(P,T)=r1C(P,0)+yA1(P,T),r1A(P,T)=r1A(P,0)+yA(P,T),r1A1(P,T)r1C(P,T),r1A2(P,T)=r1A2(P,0)+yC(P,T).

Then, we calculate the mean nearest neighbor distance in interstitial alloy AC by the expressions as follows [11, 12, 13]

(9)r1A(P,T)=r1A(P,0)+y(P,T),r1A(P,0)=1cCr1A(P,0)+cCr1A(P,0),r1A(P,0)2r1C(P,0),y(P,T)=115cCyA(P,T)+cCyC(P,T)+6cCyA1(P,T)+8cCyA2(P,T),

where r1A(P,T) is the mean nearest neighbor distance between atoms A in interstitial alloy AC at pressure P and temperature T, r1A(P,0) is the mean nearest neighbor distance between atoms A in interstitial alloy AC at pressure P and 0 K, r1A(P,0) is the nearest neighbor distance between atoms A in clean metal A at pressure P and 0K, r1A(P,0)is the nearest neighbor distance between atoms A in the zone containing the interstitial atom C at pressure P and 0K and cC is the concentration of interstitial atoms C.

In alloy ABC with FCC structure (interstitial alloy AC with atoms A in peaks and face centers, interstitial atom C in body centers and then, atom B substitutes atom A in face centers), the mean nearest neighbor distance between atoms A at pressure P and temperature T is determined by

(10)aABC(P,T,cB,cC)=cACaACBTACBT+cBaBBTBBT,BT=cACBTAC+cBBTB,cAC=cA+cC,aAC=r1A(P,T),BTAC=1χTAC,BTB=1χTB,χTAC(P,T,cC)=aAC(P,T,cC)a0AC(P,0,cC)32P+23aAC(P,T,cC)13N2ψACaAC2T,2ψACaAC2T=2ψACr1A2(P,T)T115cC2ψAaA2T+cC2ψCaC2T+6cC2ψA1aA12T+8cC2ψA2aA22T,13N2ΨXaX2T=162u0XaX2+ωX4kX2kXaX212kXkXaX2,aXr1X(P,T).

The mean nearest neighbor distance between atoms A in alloy ABC at pressure P and temperature T is determined by

(11)a0ABC(P,T,cB,cC)=cACa0ACB0TACB0T+cBa0BB0TBB0T.

The free energy of alloy ABC with FCC structure and the condition cC<<cB<<cA has the form

(12)ψABC=ψAC+cB(ψBψA)+TScACTScABC,ψAC=(115cC)ψA+cCψC+6cCψA1+8cCψA2TScAC,ψXU0X+ψ0X+3N{θ2kX2[γ2XXX22γ1X3(1+XX2)]++2θ3kX4[43γ2X2XX(1+XX2)2(γ1X2+2γ1Xγ2X)(1+XX2)(1+XX)]},ψ0X=3Nθ[xX+ln(1e2xX)],XXxXcothxX.

where ψX is the free energy of atom X, ψAC is the free energy of interstitial alloy AC, ScAC is the configuration entropy of interstitial alloy AC and ScABC is the configuration entropy of alloy ABC.

The Young modulus of alloy ABC with BCC structure at temperature T and pressure P is determined by

(13)EABC=cBEBEA+EAC=cBEB+cAEAcA+cBEA+EAC=EABcA+cBEA+EAC,EAB=cAEA+cBEB,EAC=EA115cC+cC2ψCε2+62ψA1ε2+82ψA2ε22ψAε2,EA=1π.r1AA1A,A1A=1kA1+2γA2θ2kA41+12xActhxA1+xActhxA,xA=ωA2θ,2ψXε2=122U0Xr1X2+34ωXkX2kXr1X212kXkXr1X24r01X2++12U0Xr1X+32ωXcthxX12kXkXr1X2r01X,xX=ωX2θ,ωX=kXm,

where ε is the relative deformation, EABC=EABC(cB,cC,P,T),EAB=EABcB,P,T is the Young modulus of substitution alloy AB and EAC=EACcC,P,T is the Young modulus of interstitial alloy AC.

The bulk modulus of alloy ABC with FCC structure at temperature T and pressure P has the form

(14)KABCcB,cC,P,T=EABcB,cC,P,T3(12νA).

The rigidity modulus of alloy ABC with FCC structure at temperature T and pressure P has the form

(15)GABCcB,cC,P,T=EABCcB,cC,P,T21+νA.

The elastic constants of alloy ABC with FCC structure at temperature T and pressure P has the form

(16)C11ABCcB,cC,P,T=EABCcB,cCP,T1νA1+νA12νA,
(17)C12ABCcB,cC,P,T=EABCcB,cC,P,TνA1+νA12νA,
(18)C44ABCcB,cC,P,T=EABCcB,cC,P,T21+νA.

The Poisson ratio of alloy ABC with FCC structure has the form

(19)νABC=cAνA+cBνB+cCνCcAνA+cBνB=νAB.

where νA,νB and νC respectively are the Poisson ratios of materials A, B and C and are determined from the experimental data.

When the concentration of interstitial atom C is equal to zero, the obtained results for alloy ABC become the corresponding results for substitution alloy AB. When the concentration of substitution atom B is equal to zero, the obtained results for alloy ABC become the corresponding results for interstitial alloy AC. When the concentrations of substitution atoms B and interstitial atoms C are equal to zero, the obtained results for alloy ABC become the corresponding results for main metal A.

Numerical results for alloy AuCuSi

For alloy AuCuSi, we use the n-m pair potential

(20)φ(r)=Dnmmr0rnnr0rm,

where the potential parameters are given in Table 1 [14]

Table 1:

Potential parameters m,n,D,r0 of materials.

MaterialmnD1016ergr01010m
Au5.510.56462.5402.8751
Cu5.511.04693.5182.5487
Si6.012.045128.242.2950

Considering the interaction between Au and Si and between Au and Cu, we use the following approximation

(21)φAuCu12φAuAu+φCuCu,φAuSi12φAuAu+φSiSi

and ignore the interaction between Cu and Si.

The calculated results are summarized in tables from Table 2 to Table 8 and illustrated in figures from Figure 1 to Figure 8.

Figure 1: Dependence of elastic moduli E, G, K (1010Pa) on pressure for alloyAu-10%Cu-5%Si at T=300 K.
Figure 1:

Dependence of elastic moduli E, G, K (1010Pa) on pressure for alloyAu-10%Cu-5%Si at T=300 K.

Figure 2: Dependence of elastic constants C11, C12, C44 (1010Pa) on pressure for alloyAu-10%Cu-5%Si at T=300 K.
Figure 2:

Dependence of elastic constants C11, C12, C44 (1010Pa) on pressure for alloyAu-10%Cu-5%Si at T=300 K.

Figure 3: Dependence of elastic moduli E, G, K (1010Pa) on concentration of Si for alloy Au-10%Cu-xSi at P=30GPa and T=300 K.
Figure 3:

Dependence of elastic moduli E, G, K (1010Pa) on concentration of Si for alloy Au-10%Cu-xSi at P=30GPa and T=300 K.

Figure 4: Dependence of elastic constants C11, C12, C44 (1010Pa) on concentration of Si for alloy Au-10%Cu-xSi at P=30GPa and T=300 K.
Figure 4:

Dependence of elastic constants C11, C12, C44 (1010Pa) on concentration of Si for alloy Au-10%Cu-xSi at P=30GPa and T=300 K.

Figure 5: Dependence of elastic moduli E, G, K (1010Pa) on concentration of Cu for alloy Au-xCu-5%Si at P=30 GPa and T=300 K.
Figure 5:

Dependence of elastic moduli E, G, K (1010Pa) on concentration of Cu for alloy Au-xCu-5%Si at P=30 GPa and T=300 K.

Figure 6: Dependence of elastic constants C11, C12, C44 (1010Pa) on concentration of Cu for alloy Au-xCu-5%Si at P=30GPa and T=300 K.
Figure 6:

Dependence of elastic constants C11, C12, C44 (1010Pa) on concentration of Cu for alloy Au-xCu-5%Si at P=30GPa and T=300 K.

Figure 7: Dependence of elastic moduli E, G, K (1010Pa) on temperature for alloy Au-15% Cu-5%Si at P=70 GPa.
Figure 7:

Dependence of elastic moduli E, G, K (1010Pa) on temperature for alloy Au-15% Cu-5%Si at P=70 GPa.

Figure 8: Dependence of elastic constants C11, C12, C44 (1010Pa) on temperature for alloy Au-15%xCu-5%Si at P=70 GPa.
Figure 8:

Dependence of elastic constants C11, C12, C44 (1010Pa) on temperature for alloy Au-15%xCu-5%Si at P=70 GPa.

Table 2:

Nearest neighbor distance and elastic moduli E, K, G of Au at P=0, T=300 K calculated by the SMM and from EXPT [15, 16].

Methoda(Ao)E1010PaK1010PaG1010Pa
SMM2.84548.9614.943.20
EXPT2.88388.91 [15]16.70 [16]3.10 [16]

According to our numerical results, for alloy AuCuSi at the same pressure, temperature and concentration of substitution atoms when the concentration of interstitial atoms increases, the mean nearest neighbor distance also increases. For example for alloy AuCuSi at T=300 K, P=70 GPa and cCu=10% when cSi increases from 0% to 5%, r1 increases from 2.3228Aoto2.7086Ao.

For alloy AuCuSi at the same temperature, concentration of substitution atoms and concentration of interstitial atoms when pressure increases, the mean nearest neighbor distance decreases. For example for alloy AuCuSi at T=300K, cCu=10%, cSi=5% when P increases from 0 to 70 GPa, r1 decreases from 2.8740Ao to 2.7086Ao.

For alloy AuCuSi at the same pressure, temperature and concentration of interstitial atoms when the concentration of substitution atoms increases, the mean nearest neighbor distance decreases. For example for alloy AuCuSi at T=300 K, P=30 GPa, cSi=5% when cCu increases from 0% to 15% r1 decreases from 2.8630Ao to 2.1550Ao.

For alloy AuCuSi at the same pressure, concentration of substitution atoms and concentration of interstitial atoms when temperature increases, the mean nearest neighbor distance increases. For example for alloy AuCuSi at P=0, cCu=10 % và cSi=3 % when T increases from 50 K to 1000 K, r1 increases from 2.8447Ao to 3.2793Ao.

For alloy AuCuSi at the same pressure, temperature and concentration of substitution atoms when the concentration of interstitial atoms increases, the elastic moduli E, G, K decreases. For example for alloy AuCuSi at T=300K, P=70GPa and cCu=10% when cSi increases from 0% to 5%, E decreases from 3.5604.1011 Pa to 1.2905.1011Pa.

For alloy AuCuSi at the same temperature, concentration of substitution atoms and concentration of interstitial atoms when pressure increases, the elastic moduli E, G, K increases. For example for alloy AuCuSi at T=300K, cCu=10%, cSi=5% when P increases from 0 to 70 GPa, E increases from 0.6966.1011Pa to 1.2950.1011Pa.

For alloy AuCuSi at the same pressure, temperature and concentration of interstitial atoms when the concentration of substitution atoms increases, the elastic moduli E, G, K increases. For example for alloy AuCuSi at T=300K, P=30GPa, cSi=5% when cCu increases from 0% to 15%, E increases from 0.9558.1011 Pa to 0.9697.1011Pa.

For alloy AuCuSi at the same pressure, concentration of substitution atoms and concentration of interstitial atoms when temperature increases, the elastic moduli E, G, K decreases. For example for alloy AuCuSi at P=0, cCr=10%, cSi=3% when T increases from 50 K to 1000 K E decreases from 0.9991.1011 Pa to 0.7959.1011Pa.

For alloy AuCuSi at the same pressure, temperature and concentration of substitution atoms when the concentration of interstitial atoms increases, the elastic constants C11,C12, C44 decreases. For example for alloy AuCuSi at T=300K, P=10GPa, cCu=10% when cSi increases from 0% to 5%, C11 decreases from 4.4653.1011 Pa to 2.2478.1011Pa.

For alloy AuCuSi at the same temperature, concentration of substitution atoms and concentration of interstitial atoms when pressure increases, the elastic constants C11,C12, C44 increases. For example for alloy AuCuSi at T=300K, cCu=10%, cSi=1% when P increases from 0 to 70GPa, C11increases from 3.0798.1011 Pa to 3.8446.1011Pa.

For alloy AuCuSi at the same pressure, temperature and concentration of interstitial atoms when the concentration of substitution atoms increases, the elastic constants C11,C12, C44 decreases. For example for alloy AuCuSi at T=300K, P=30GPa, cSi=5% when cCu increases from 0% to 15% C11 decreases from 3.0977.1011 Pa to 2.6097.1011Pa.

For alloy AuCuSi at the same pressure, concentration of substitution atoms and concentration of interstitial atoms when temperature increases, the elastic constants C11,C12, C44 decreases. For example for alloy AuCuSi at P=70GPa, cCu=10%, cSi=5% when T increases from 50 K to 1000 K, C11 decreases from 4.1345.1011 Pa to 3.6188.1011Pa.

When the concentration of substitution atoms and the concentration of interstitial atoms are equal to zero, the mean nearest neighbor distance, the elastic moduli and the elastic constants of alloy AuCuSi respectively becomes the mean nearest neighbor distance, the elastic moduli and the elastic constants of metal Au. The dependence of mean nearest neighbor distance, the elastic moduli and the elastic constants on pressure and concentration of interstitial atoms for alloy AuCuSi is the same as the dependence of mean nearest neighbor distance, the elastic moduli and the elastic constants on pressure and concentration of interstitial atoms for interstitial alloy AuSi, respectively. The dependence of mean nearest neighbor distance, the elastic moduli and the elastic constants on pressure and concentration of substitution atoms for alloy AuCuSi is the same as the dependence of mean nearest neighbor distance, the elastic moduli and the elastic constants on pressure and concentration of substitution atoms for substitution alloy AuCu, respectively.

Table 2 gives the nearest neighbor distance and the elastic moduli of Au at T=300K, P=0 according to the SMM and the experimental data [15, 16]. Table 3 gives the atomic volume and the rigidity modulus of Au near the melting temperature calculated by the SMM and other calculation [17]. Table 4 gives the elastic moduli E, K, G of Au at P=0 and in different temperatures calculated by the SMM. Table 5 gives the elastic constants C11, C12, C44 of Au at P=0 and T=300K calculated by the SMM and from EXPT [15]. Table 6 gives the elastic constants C11, C12, C44 of Au at T=300K and P=0 calculated by the SMM, other calculations [18, 19, 26] and from EXPT [16]. Table 7 and Table 8 give the dependences of elastic moduli E, K, G and elastic constants C11, C12, C44 on temperature and concentration of substitution atoms Cu for substitution alloy AuCu at P=0.

Table 3:

Atomic volume and rigidity modulus of Au near melting temperature calculated by the SMM and other calculation [17].

V[10–30 m3]SMM17.29
CAL [17]17.88
G1010PaSMM15.88
CAL [17]15.20
Table 4:

Elastic moduli E, K, G of Au at P=0 and in different temperatures calculated by the SMM.

T(K)1002003005007001000
E1010Pa9.569.278.968.277.496.15
K1010Pa15.9315.4514.9413.7912.4810.24
G1010Pa3.413.313.202.952.672.19
Table 5:

Elastic constants C11, C12, C44 of Au at T=300 K and P=0 calculated by the SMM and from EXPT [15].

C11[1011Pa]SMM1.92
EXPT [15]1.92
C12[1011Pa]SMM1.28
EXPT [15]1.63
C44[1011Pa]SMM0.32
EXPT [15]0.42
Table 6:

Elastic constants C11, C12, C44 of Au at T=300 K and P=0 calculated by the SMM, other calculations [18, 19, 20, 21, 22, 23, 24, 25, 26] and from EXPT [16].

SMMEXPTOther calculations
[16][18][19][20][21][22][23][24][25][26]
C11[1011Pa]1.921.921.921.831.792.091.361.501.971.842.00
C12[1011Pa]1.281.651.661.541.471.750.911.291.841.541.73
C44[1011Pa]0.320.420.390.450.420.310.490.700.520.430.33
Table 7:

Dependence of elastic moduli E, G, K (1010Pa) on temperature and concentration of substitution atoms Cu for substitution alloy AuCu at P=0.

AlloyT(K)200300400500600700800
Au-1%CuE13.4413.1412.8112.4712.1111.7311.34
K20.3219.8619.3718.8618.3217.7517.15
G4.844.734.614.494.364.224.08
Au-3%CuE13.4813,1712.8412.4912.1211.7411.33
K20.3019.8319.3318.8118.2617.6817,07
G4.854.744.624.494.364.224.08
Au-5%CuE13.5113.2012,8612.5112.1311.7411.32
K20.2719.7919.2918.7618.2117.6217.00
G4.874.754.634.504.384.234.08
Au-7%CuE13.5513.2312.8812.5212.1411.7411.31
K20.2419.7619.2518.7218.1517.5516.93
G4.884.764.644.514.374.234.07
Au-10%CuE13.6013.2712.9212.5512.1611.7411.30
K20.2019.7119.2018.6518.0717.4616.82
G4.904.784.664.524.384.234.07
Table 8:

Dependence of elastic constants C11, C12, C44 (1011Pa) on temperature and concentration of substitution atoms Cu for substitution alloy AuCu at P=0.

AlloyT(K)200300400500600700800
Au-1%CuC112.682.622.552.482.412.342.26
C121.711.671.631.591.541.491.44
C440.480.470.460.450.440.420.41
Au-3%CuC112/682.612.552.482.412.222.25
C121.711.671.621.581.531.491.46
C440.490.470.460.450.440.420.41
Au-5%CuC112.672.612.552.482.402.332.24
C121.701.661.621.581.531.481.43
C440.490.480.460.450.440.420.41
Au-7%CuC112.672.612.542.472.402.322.23
C121.701.661.621.571.521.471.42
C440.490.480.460.450.440.420.41
Au-10%CuC112.672.612.542.472.392.312.22
C121.691.651.611.561.511.461.41
C440.490.480.470.450.440.420.41

Conclusion

The analytic expressions of the free energy, the mean nearest neighbor distance between two atoms, the elastic moduli such as the Young modulus, the bulk modulus, the rigidity modulus and the elastic constants depending on temperature, concentration of substitution atoms and concentration of interstitial atoms for substitution alloy AB with interstitial atom C and BCC structure under pressure are derived by the SMM. The numerical results for alloy AuCuSi are in good agreement with the numerical results for substitution alloy AuCu, interstitial alloy AuSi and main metal Au. Temperature changes from 5 to 1000 K, pressure changes from 0 to 70 GPa, the concentration of substitution atoms changes from 0% to 10% and the concentration of interstitial atoms changes from 0% to 5%.

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Received: 2018-02-16
Accepted: 2018-07-21
Published Online: 2018-09-26
Published in Print: 2019-02-25

© 2019 Walter de Gruyter GmbH, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 Public License.

Articles in the same Issue

  1. Frontmatter
  2. Review Article
  3. Research on the Influence of Furnace Structure on Copper Cooling Stave Life
  4. Influence of High Temperature Oxidation on Hydrogen Absorption and Degradation of Zircaloy-2 and Zr 700 Alloys
  5. Correlation between Travel Speed, Microstructure, Mechanical Properties and Wear Characteristics of Ni-Based Hardfaced Deposits over 316LN Austenitic Stainless Steel
  6. Factors Influencing Gas Generation Behaviours of Lump Coal Used in COREX Gasifier
  7. Experiment Research on Pulverized Coal Combustion in the Tuyere of Oxygen Blast Furnace
  8. Phosphate Capacities of CaO–FeO–SiO2–Al2O3/Na2O/TiO2 Slags
  9. Microstructure and Interface Bonding Strength of WC-10Ni/NiCrBSi Composite Coating by Vacuum Brazing
  10. Refill Friction Stir Spot Welding of Dissimilar 6061/7075 Aluminum Alloy
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