Design of novel NiSiAlY alloys in marine salt-spray environment: Part I. Al-Si-Y and Ni-Si-Y subsystems

doi:10.1016/j.jmst.2021.01.065

Abstract

Abstract:

MCrAlY (M=Ni, Co, NiCo) alloys have been widely used as a bond layer for thermal barrier coatings (TBCs). However, oxides form discontinuously on MCrAlY surface in the marine environment since Cr₂O₃ can react with NaCl and H₂O at temperatures above 500 ℃. Replacing Cr with other alloying elements (such as Si) might prevent severe salt-spray corrosion effectively. To save time and efforts in materials design of the Ni-Si-Al-Y system, we obtained the thermodynamic descriptions of the ternary compounds by coupling the CALPHAD (CALculation of PHAse Diagrams) approach and first-principles calculations. Seven and eighteen ternary compounds were evaluated and calculated in the Al-Si-Y and Ni-Si-Y systems, respectively. Phase diagrams of the two systems were depicted after a series of experimental Al/Ni-Si-RE (RE denotes rare earth elements, including La, Ce, Pr, Nd, Sm, Gd, Dy, Ho, and Er) systems being analyzed. It is found that the RE elements with the same reference states tend to form ternary compounds with the same crystal structures. The model-based descriptions are the basis for the research and development of novel NiSiAlY alloys in resisting high-temperature corrosion.

Key words: Ternary compounds, NiSiAlY, CALPHAD, Formation enthalpy, Rare earth elements

Kai Xu, Keke Chang, Yong Du, Liping Wang. Design of novel NiSiAlY alloys in marine salt-spray environment: Part I. Al-Si-Y and Ni-Si-Y subsystems[J]. J. Mater. Sci. Technol., 2021, 88: 66-78.

Figures/Tables 13

References 82

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Exp. contents	Details	Techniques	Refs.	QM^a
τ₁-Al₂Si₂Y	Sintering, 800 °C for 12 h or 1000 °C for 20 h	XRD, DSC	[25]	+
τ₂-AlSiY	Arc-melting, annealed at 600 °C for 500 h	XRD	[26]	+
τ₃-Al₃SiY₆	Arc-melting, annealed at 950 °C for 400 h	XRD	[27]	+
τ₄-AlSi₂Y₂	Pre-reacting at 900 °C for 20 h, then reacting at 1000 °C for 50 h and 1100 °C for 50 h for the two subsequent tempering steps	XRD	[28]	+
τ₅-Al₁₄SiY₅	Sintering, 800 °C for 12 h or 1000 °C for 20 h	XRD, DSC	[25]	+
τ₆-Al₃Si₂Y₂	Arc-melting, annealed at 500 °C for 3 weeks	XRD	[28,29]	+
τ₇-Al_1.4Si_0.6Y	Arc-melting, annealed at 500 °C for 750 h	XRD	[10,30]	+
τ₈-Al₂SiY	Same phase as τ₆	XRD	[29]	-
Vertical sections	92 wt.% Al, 0∼8 wt.% Y; 1 wt.% Y, 0∼12 wt.% Y; 3 wt.% Si, 0∼14 wt.% Si	DTA	[25,31]	+
Invariant reactions	Reaction types and temperatures	DTA, OM	[31]	+
Isothermal section	Arc-melting, annealed at 500 °C for 750 h, 0-33.3 at.% Y	XRD	[10]	+

Exp. contents	Details	Techniques	Refs.	QM^a
τ₁-Al₂Si₂Y	Sintering, 800 °C for 12 h or 1000 °C for 20 h	XRD, DSC	[25]	+
τ₂-AlSiY	Arc-melting, annealed at 600 °C for 500 h	XRD	[26]	+
τ₃-Al₃SiY₆	Arc-melting, annealed at 950 °C for 400 h	XRD	[27]	+
τ₄-AlSi₂Y₂	Pre-reacting at 900 °C for 20 h, then reacting at 1000 °C for 50 h and 1100 °C for 50 h for the two subsequent tempering steps	XRD	[28]	+
τ₅-Al₁₄SiY₅	Sintering, 800 °C for 12 h or 1000 °C for 20 h	XRD, DSC	[25]	+
τ₆-Al₃Si₂Y₂	Arc-melting, annealed at 500 °C for 3 weeks	XRD	[28,29]	+
τ₇-Al_1.4Si_0.6Y	Arc-melting, annealed at 500 °C for 750 h	XRD	[10,30]	+
τ₈-Al₂SiY	Same phase as τ₆	XRD	[29]	-
Vertical sections	92 wt.% Al, 0∼8 wt.% Y; 1 wt.% Y, 0∼12 wt.% Y; 3 wt.% Si, 0∼14 wt.% Si	DTA	[25,31]	+
Invariant reactions	Reaction types and temperatures	DTA, OM	[31]	+
Isothermal section	Arc-melting, annealed at 500 °C for 750 h, 0-33.3 at.% Y	XRD	[10]	+

Compounds	Space group	Lattice parameters (Å)			Refs.	Lattice parameters (FP^a, Å)			Enthalpy (FP, kJ/mol)	Enthalpy (CAL^b, kJ/mol)
Compounds	Space group	a	b	c	Refs.	a	b	c	Enthalpy (FP, kJ/mol)	Enthalpy (CAL^b, kJ/mol)
Al-Si-Y
τ₁-Al₂Si₂Y	P3¯m1	4.181		6.559	[25]	4.210		6.575	-38.09	-38.00
τ₂-AlSiY	Cmcm	3.99476(7)	10.2983(2)	5.7085(1)	[26]	4.010	10.324	5.719	-61.23	-61.23
τ₃-Al₃SiY₆	I4/mcm	11.581(6)		15.039(3)	[27]	11.699		15.221	-41.49	-54.00
τ₄-AlSi₂Y₂	Immm	4.050(1)	5.748(1)	8.663(2)	[28]	4.073	5.750	8.728	-70.75	-70.00
τ₅-Al₁₄SiY₅	P6₃/mmc	6.247		4.590	[25]	6.287		22.949	-43.31	-46.20
τ₆-Al₃Si₂Y₂	C2/m	10.220(3)	4.0354(9)	6.617(2) 101.36 (3) ˚	[29]	10.202	4.052	6.635	-53.60	-53.71
τ₇-Al_1.4Si_0.6Y	-	-	-	-	[30]	-	-	-	-	-63.33
Ni-Si-Y
τ₁-Ni₁₅Si₂Y₂	P6₃/mmc	8.289		8.085	[55]	8.278	8.351	8.088	-38.54	-39.58
τ₃-Ni₆Si₆Y	P4¯b2	7.7351(1)		11.1278(2)	[71]	7.998		11.774	-32.89	-53.08
τ₄-Ni₄SiY	Cmmm	5.0482(3)	8.2017(4)	3.9474(2)	[72]	5.092	8.191	3.944	-62.52	-62.07
τ₅-Ni₂Si₂Y	I₄/mmm	3.959(3)		9.548	[73,74]	3.988		9.536	-84.67	-85.00
τ₆-Ni₃Si₅Y₂	Ibam	5.6453(2)	9.5651(4)	11.1284(6)	[75]	5.667	9.594	11.150	-76.84	-77.00
τ₇-Ni₆Si₂Y₃	Im3¯m	8.77979			[55]	8.798			-66.03	-65.10
τ₈-NiSi₂Y	Cmcm	3.99558	16.50299	3.95844	[55]	3.996	16.479	3.983	-81.60	-81.00
τ₉-NiSiY	Pnma	4.155(4)	6.870(5)	7.205(5)	[76]	4.162	6.882	7.176	-81.11	-81.67
τ₁₀-NiSi₂Y₃	Pnma	11.505	4.189	11.388	[55,77]	11.277	4.124	11.294	-75.09	-73.67
τ₁₁-NiSi₃Y₃	Immm	3.9605(5)	4.125(1)	17.63(1)	[77]	3.930	4.158	17.490	-78.35	-84.29
τ₁₂-Ni₁₀Si₂Y	I₄/mmm	8.20843(3)		4.67155(3)	[78,79]	8.245	8.206	4.710	-39.41	-40.67
τ₁₃-Ni₅Si₃Y	Pnma	3.779(5)	6.706(2)	18.62(2)	[80,81]	3.802	6.655	18.747	-71.70	-68.44
τ₁₄-Ni₁₂Si₄Y₃	P6₃/mmc	-	-	-	[55,82]	8.174		8.732	-64.01	-63.89
τ₁₅-NiSi₃Y	Amm2	3.94043	21.04579	3.9588	[55]	3.941	21.017	3.970	-66.88	-67.00
τ₁₆-Ni₂SiY	Pnma	-	-	-	[55]	5.446	6.398	7.077	-73.32	-73.25
τ₁₇-Ni₄₉Si₂₀Y₇	I4¯3m	12.38344			[55]	12.402			-57.55	-57.00
τ₁₈-Ni₁₆Si₇Y₆	Fm3¯m	11.74578			[55]	11.802			-67.41	-68.62
τ₁₉-Ni_0.8Si_1.2Y	P6/mmm	3.973		4.100	[55]	3.961		4.074	-78.68	-86.67

Compounds	Space group	Lattice parameters (Å)			Refs.	Lattice parameters (FP^a, Å)			Enthalpy (FP, kJ/mol)	Enthalpy (CAL^b, kJ/mol)
Compounds	Space group	a	b	c	Refs.	a	b	c	Enthalpy (FP, kJ/mol)	Enthalpy (CAL^b, kJ/mol)
Al-Si-Y
τ₁-Al₂Si₂Y	P3¯m1	4.181		6.559	[25]	4.210		6.575	-38.09	-38.00
τ₂-AlSiY	Cmcm	3.99476(7)	10.2983(2)	5.7085(1)	[26]	4.010	10.324	5.719	-61.23	-61.23
τ₃-Al₃SiY₆	I4/mcm	11.581(6)		15.039(3)	[27]	11.699		15.221	-41.49	-54.00
τ₄-AlSi₂Y₂	Immm	4.050(1)	5.748(1)	8.663(2)	[28]	4.073	5.750	8.728	-70.75	-70.00
τ₅-Al₁₄SiY₅	P6₃/mmc	6.247		4.590	[25]	6.287		22.949	-43.31	-46.20
τ₆-Al₃Si₂Y₂	C2/m	10.220(3)	4.0354(9)	6.617(2) 101.36 (3) ˚	[29]	10.202	4.052	6.635	-53.60	-53.71
τ₇-Al_1.4Si_0.6Y	-	-	-	-	[30]	-	-	-	-	-63.33
Ni-Si-Y
τ₁-Ni₁₅Si₂Y₂	P6₃/mmc	8.289		8.085	[55]	8.278	8.351	8.088	-38.54	-39.58
τ₃-Ni₆Si₆Y	P4¯b2	7.7351(1)		11.1278(2)	[71]	7.998		11.774	-32.89	-53.08
τ₄-Ni₄SiY	Cmmm	5.0482(3)	8.2017(4)	3.9474(2)	[72]	5.092	8.191	3.944	-62.52	-62.07
τ₅-Ni₂Si₂Y	I₄/mmm	3.959(3)		9.548	[73,74]	3.988		9.536	-84.67	-85.00
τ₆-Ni₃Si₅Y₂	Ibam	5.6453(2)	9.5651(4)	11.1284(6)	[75]	5.667	9.594	11.150	-76.84	-77.00
τ₇-Ni₆Si₂Y₃	Im3¯m	8.77979			[55]	8.798			-66.03	-65.10
τ₈-NiSi₂Y	Cmcm	3.99558	16.50299	3.95844	[55]	3.996	16.479	3.983	-81.60	-81.00
τ₉-NiSiY	Pnma	4.155(4)	6.870(5)	7.205(5)	[76]	4.162	6.882	7.176	-81.11	-81.67
τ₁₀-NiSi₂Y₃	Pnma	11.505	4.189	11.388	[55,77]	11.277	4.124	11.294	-75.09	-73.67
τ₁₁-NiSi₃Y₃	Immm	3.9605(5)	4.125(1)	17.63(1)	[77]	3.930	4.158	17.490	-78.35	-84.29
τ₁₂-Ni₁₀Si₂Y	I₄/mmm	8.20843(3)		4.67155(3)	[78,79]	8.245	8.206	4.710	-39.41	-40.67
τ₁₃-Ni₅Si₃Y	Pnma	3.779(5)	6.706(2)	18.62(2)	[80,81]	3.802	6.655	18.747	-71.70	-68.44
τ₁₄-Ni₁₂Si₄Y₃	P6₃/mmc	-	-	-	[55,82]	8.174		8.732	-64.01	-63.89
τ₁₅-NiSi₃Y	Amm2	3.94043	21.04579	3.9588	[55]	3.941	21.017	3.970	-66.88	-67.00
τ₁₆-Ni₂SiY	Pnma	-	-	-	[55]	5.446	6.398	7.077	-73.32	-73.25
τ₁₇-Ni₄₉Si₂₀Y₇	I4¯3m	12.38344			[55]	12.402			-57.55	-57.00
τ₁₈-Ni₁₆Si₇Y₆	Fm3¯m	11.74578			[55]	11.802			-67.41	-68.62
τ₁₉-Ni_0.8Si_1.2Y	P6/mmm	3.973		4.100	[55]	3.961		4.074	-78.68	-86.67

Symbols	Reactions	T (℃)	Liquid comp. (at.%)
Symbols	Reactions	T (℃)	Al/Ni	Si
Al-Si-Y
U₁	L + SiY⇋βSi₅Y₃+τ₄	1620.1	20.6	45.1
U₂	L + Si₃Y₅⇋Si₄Y₅+τ₃	1515.4	45.4	6.0
U₃	L+τ₄⇋βSi₅Y₃+τ₂	1491.1	40.8	33.4
U₄	L+τ₄⇋τ₂+τ₇	1425.9	58.9	12.3
U₅	L+τ₄⇋Al₂Y + SiY	1423.0	55.8	7.4
U₆	L+τ₄⇋Al₂Y+τ₇	1422.1	58.7	8.9
E₁	L⇋Al₂Y+τ₅+τ₇	1390.1	63.4	8.6
U₇	L+τ₇⇋τ₂+τ₅	1383.5	62.3	11.9
U₈	L + SiY⇋Al₂Y + Si₄Y₅	1380.9	54.1	4.1
U₉	L + Si₄Y₅⇋Al₂Y+τ₃	1322.2	52.9	2.1
U₁₀	L+βSi₂Y⇋αSi₂Y+βSi₅Y₃	1254.0	21.0	61.7
U₁₁	L + Si₃Y₅⇋(αY)+τ₃	1207.9	13.0	3.5
U₁₂	L + Al₂Y⇋AlY+τ₃	1136.6	48.9	-
E₂	L⇋AlY + Al₂Y₃+τ₃	1083.6	43.8	-
U₁₃	L + Al₂Y⇋βAl₃Y+τ₅	979.9	87.4	-
U₁₄	L + Al₂Y₃⇋AlY₂+τ₃	979.0	29.2	-
E₃	L⇋(αY)+AlY₂+τ₃	956.7	26.4	-
U₁₅	L+αSi₂Y⇋(Si)+βSi₅Y₃	928.1	43.5	46.5
P₁	L+τ₂+τ₅⇋τ₆	902.5	71.0	18.7
P₂	L+βSi₅Y₃+τ₂⇋τ₁	794.5	58.4	33.3
U₁₆	L+βSi₅Y₃⇋(Si)+τ₁	793.7	57.6	34.2
U₁₇	L+τ₂⇋τ₁+τ₆	788.9	59.9	32.0
U₁₈	L+βAl₃Y⇋αAl₃Y+τ₅	644.0	96.8	0.1
E₄	L⇋(Al)+αAl₃Y+τ₅	637.2	97.0	0.1
U	L+αAl₃Y⇋(Al)+τ₅ [31]	638	91.7	1
U₁₉	L+τ₅⇋(Al)+τ₆	586.2	86.6	10.4
E	L⇋(Al)+τ₅+τ₆ [31]	635	91.5	1.5
U₂₀	L+τ₆⇋(Al)+τ₁	584.0	86.2	10.8
U₂₀	L+τ₆⇋(Al)+τ₁	580 [31]	85 [31]	12.5 [31]
E₅	L⇋(Al)+(Si)+τ₁	568.2	84.7	13.5
E₅	L⇋(Al)+(Si)+τ₁	570 [31]	85 [31]	13 [31]
Ni-Si-Y
E₁	L⇋SiY + Si₄Y₅+τ₁₁	1795.6	2.3	45.5
U₁	L+τ₁₉⇋τ₆+τ₈	1770.0	25.3	51.2
E₂	L⇋τ₅+τ₆+τ₁₉	1760.9	34.8	45.0
U₂	L + Si₄Y₅⇋Si₃Y₅+τ₁₁	1752.8	45.6	37.7
U₃	L+τ₁₉⇋τ₉+τ₁₈	1747.0	43.0	27.5
E₃	L⇋τ₅+τ₁₈+τ₁₉	1732.4	46.2	33.1
U₄	L+τ₁₁⇋SiY+τ₁₉	1684.7	4.0	58.0
P₁	L + SiY+τ₁₉⇋βSi₅Y₃	1657.3	3.6	59.4
U₅	L+τ₁₉⇋τ₉+τ₁₁	1630.8	28.3	25.9
U₆	L+τ₆⇋τ₈+τ₁₅	1596.7	11.1	66.5
U₇	L+τ₁₉⇋βSi₅Y₃+τ₈	1594.2	5.7	64.1
U₈	L+τ₈⇋βSi₅Y₃+τ₁₅	1513.0	4.7	68.3
U₉	L+βSi₅Y₃⇋βSi₂Y+τ₁₅	1459.8	3.1	71.3
U₁₀	L+τ₁₈⇋τ₄+τ₁₄	1452.7	72.9	14.3
P₂	L+τ₉+τ₁₈⇋τ₁₆	1448.0	44.9	17.7
U₁₁	L+τ₁₁⇋Si₃Y₅+τ₉	1423.0	27.6	21.1
P₃	L+τ₅+τ₆⇋τ₃	1420.0	50.2	45.3
U₁₂	L+τ₄⇋τ₁+τ₁₄	1386.1	75.9	14.5
U₁₃	L+τ₁₈⇋τ₅+τ₁₇	1383.1	63.7	29.6
U₁₄	L+τ₁₈⇋τ₁₄+τ₁₇	1381.1	69.7	24.0
P₄	L+τ₅+τ₁₇⇋τ₁₃	1363.9	63.8	30.2
E₄	L⇋Ni₅Y+τ₁+τ₄	1339.9	76.0	8.8
P₅	L+βSi₂Y⇋αSi₂Y+τ₁₅	1293.5	1.5	79.4
U₁₅	L+τ₁₈⇋τ₇+τ₁₆	1292.9	49.6	13.0
U₁₆	L + Ni₅Y⇋Ni₁₇Y₂+τ₁	1251.2	87.2	4.5
E₅	L⇋(Ni)+Ni₁₇Y₂+τ₁	1238.6	88.1	4.5
U₁₇	L+βNi₂Si⇋αNi₂Si+τ₁₃	1233.6	66.6	31.3
U₁₈	L+τ₁₈⇋τ₄+τ₇	1227.1	62.8	8.8
U₁₉	L+τ₁₃⇋αNi₂Si+τ₁₇	1226.9	67.2	30.7
E₆	L⇋αNi₂Si + Ni₅Si₂+τ₁₇	1216.5	68.7	29.6
U₂₀	L+τ₁⇋(Ni)+τ₁₂	1215.4	81.2	15.6
U₂₁	L+τ₁₃⇋βNi₂Si+τ₅	1215.3	60.8	37.4
U₂₂	L+τ₅⇋βNi₂Si+τ₃	1200.8	60.0	38.4
E₇	L⇋(Si)+αSi₂Y+τ₁₅	1199.7	1.1	82.5
U₂₃	L + Ni₄Y⇋Ni₇Y₂+Ni₅Y	1197.9	67.1	5.4
U₂₄	L+τ₁₄⇋τ₁+τ₁₇	1181.4	76.8	19.9
U₂₅	L + Ni₅Si₂⇋βNi₃Si+τ₁₇	1174.9	74.7	23.9
U₂₆	L+τ₁⇋τ₁₂+τ₁₇	1160.2	77.2	19.8
U₂₇	L + Ni₅Y⇋Ni₇Y₂+τ₄	1156.4	64.7	6.8
U₂₈	L + Ni₇Y₂⇋Ni₃Y+τ₄	1141.6	64.0	6.8
D₁	βNi₃Si⇋αNi₃Si (with L, (Ni), τ₁₇)	1135.6	78.0	21.0
U₂₉	L+τ₁₂⇋(Ni)+τ₁₇	1131.7	77.7	20.0
U₃₀	L+τ₄⇋Ni₃Y+τ₇	1125.0	63.1	6.9
E₈	L⇋(Ni)+αNi₃Si+τ₁₇	1122.3	77.4	20.9
U₃₁	L+τ₁₆⇋τ₇+τ₉	1107.6	44.0	12.2
U₃₂	L+τ₁₅⇋(Si)+τ₆	1074.7	35.0	64.0
U₃₃	L + Ni₃Y⇋Ni₂Y+τ₇	1031.3	59.9	5.5
U₃₄	L+τ₆⇋(Si)+τ₃	1027.9	37.7	61.7
U₃₅	L+(Si)⇋NiSi₂+τ₃	969.6	40.5	59.4
E₉	L⇋NiSi+βNi₂Si+τ₃	966.0	54.1	45.9
E₁₀	L⇋NiSi + NiSi₂+τ₃	947.5	43.4	56.6
E₁₁	L⇋NiY + Ni₂Y+τ₇	900.6	53.2	4.8
P₆	L + Si₃Y₅+τ₉⇋τ₁₀	841.0	34.6	9.3
U₃₆	L+τ₇⇋NiY+τ₉	840.4	41.6	8.7
U₃₇	L+(αY)⇋Si₃Y₅+NiY₃	802.9	27.2	5.9
U₃₈	L+τ₉⇋NiY+τ₁₀	760.2	35.4	8.1
U₃₉	L + Ni₂Y₃⇋NiY + NiY₃	744.4	34.2	4.6
U₄₀	L+τ₁₀⇋NiY + Si₃Y₅	743.3	34.5	7.6
E₁₂	L⇋NiY + Si₃Y₅+NiY₃	710.2	33.0	6.4