Hydrogen embrittlement and failure mechanisms of multi-principal element alloys: A review

doi:10.1016/j.jmst.2022.01.008

Abstract

Abstract:

Multi-principal element alloys exhibit excellent physical, chemical and mechanical properties, and they are used as novel structural materials for potential applications in nuclear energy, hydrogen energy, and petrochemical fields. However, exposing components made of the alloys to service conditions related to the mentioned applications may induce hydrogen embrittlement (HE) as one of the typical failure mechanisms. In this review, we report and summarize the progress in understanding HE in multi-principal element alloys, with a particular focus on high-entropy alloys (HEAs). The review focuses on four aspects: (1) hydrogen migration behavior (hydrogen dissolution, hydrogen diffusion, and hydrogen traps); (2) factors affecting HE (hydrogen concentration, alloy elements and microstructure); (3) tensile mechanical properties in the presence of hydrogen and micro-damage HE mechanisms; (4) the design concept for preventing hydrogen-induced mechanical degradation. The differences in the HE behavior and failure mechanisms between HEAs and traditional alloys are compared and discussed. Moreover, specific research directions for further investigation of fundamental HE issues and a strategy for a simultaneous improvement in strength and HE resistance are identified.

Key words: Hydrogen embrittlement, High-entropy alloy, Hydrogen diffusion, Mechanical property

Xinfeng Li, Jing Yin, Jin Zhang, Yanfei Wang, Xiaolong Song, Yong Zhang, Xuechong Ren. Hydrogen embrittlement and failure mechanisms of multi-principal element alloys: A review[J]. J. Mater. Sci. Technol., 2022, 122: 20-32.

Figures/Tables 14

Fig. 1. The comparison of plasticity vs. tensile strength between multi-principal element alloys and traditional alloys, showing low plastic loss of multi-principal element alloys compared with traditional alloys under the same hydrogenated conditions. (a) High-entropy alloys (HEA). The data were marked by rectangle from Zhao et al. [45] and by upper triangular from Pu et al. [91]; (b) Medium-entropy alloy (MEA) [6].

Fig. 2. (a) The illustrations of a perfect BCC lattice in pure metals [2]; (b) A distorted BCC lattice in multicomponent alloys [2]; (c) Schematic of the lattice distortion with distorted octahedral interstitial sites (OIs) and tetrahedral interstitial sites (TIs) [31]; (d) 3D isosurface of electronic density [31].

Table 1. Dissolution energy of hydrogen in octahedral and tetrahedral interstitial as well as barrier energy of hydrogen jumping from interstitial sites of alloys.

Alloys	Dissolution energy (eV)		Barrier energy (eV)	Refs.
Empty Cell	Octahedral Interstitial	Tetrahedral Interstitial	Empty Cell	Empty Cell
CoCrFeMnNi (FCC)	0.055, 0.402, 0.001, 0.624, 0.819 (0.38 ± 0.35)^a	0.898, 0.453, 0.027, 0.435, 0.268 (0.42 ± 0.32)^a	0.17-1.05	[35]
CoCrFeNi (FCC)	(0.10 ± 0.03)^a	(0.50 ± 0.06)^a	-	[34]
CrFeMnMoCu (BCC)	0.200, 0.158, 0.193, 0.003, 0.554, 0.223, 0.099, 0.221 (0.21 ± 0.16)^a	0.124, 0.237, 0.272, 0.433, 0.339, 0.436, 0.349, 0.570 (0.34 ± 0.14)^a	0.08-0.95	[31]
Fe (BCC)	0.33	0.20	0.088	[43]
W (BCC)	0.38 ^b		0.21	[42]
Al (BCC)	0.38	-0.02	-	[44]
Pd (FCC)	-0.16	-0.02	0.39	[41]
Ni (FCC)	-	-	0.406	[37]

Fig. 3. Hydrogen dissolution energy distributions in (a) pure Ni and (b) CoCrFeMnNi HEA [55].

Fig. 4. Energy barriers and transition state (TS) along multiple diffusion pathways. (a) H hopping via OI positions along the <100> direction, where TS1 and TS2 are located at TI positions, and TS3 is at an OI position [31]; (b) Hopping between OIs along the <110> direction [31]; (c) Hopping between TIs along the <110> direction [31]; (d) Hopping between TIs along the <100> direction, where TS1 and TS2 are located at OIs [31].

Fig. 5. Hydrogen atomic neighborhood for the six investigated systems, showing chemical complexity. (a) H-mix [47]; (b) H-Cr [47]; (c) H-Mn [47]; (d) H-Co [47]; (e) H-Fe [47]; (f) H-Ni sites [47]; (g) Example of a H-Fe configuration, the other H-Fe configurations also possess hydrogen surrounded by Fe, but the other atoms are differently distributed [47]; (h) The interaction energy promoted by H addition for H-M pairs [47].

Table 2. Hydrogen diffusion parameters of high-entropy alloys and traditional alloys.

Alloys	D₀ (m² s⁻¹)	Diffusion activated energy (kJ mol⁻¹)	Apparent diffusion coefficient (m² s⁻¹)^a	Refs.
CoCrFeMnNi^c	4.3 × 10⁻⁷	51.7	3.7 × 10⁻¹⁶	[47]
CoCrFeMnNi^c	1.0 × 10⁻⁶	58.0	6.9 × 10⁻¹⁷	[22]^b
Fe₂₂Mn₄₀Ni₃₀Co₆Cr₂	2.8 × 10⁻⁸	30.5	1.3 × 10⁻¹³	[47]
304 steel^c	2.7 × 10⁻⁶	54.4	8.0 × 10⁻¹⁶	[46]
304 steel^c	8.9 × 10⁻⁷	53.9	3.2 × 10⁻¹⁶	[56]
316 steel^c	6.2 × 10⁻⁷	53.6	2.5 × 10⁻¹⁶	[57]
316 steel^c	1.2 × 10⁻⁵	63.1	1.1 × 10⁻¹⁶	[58]
Pure Fe^c	1.1 × 10⁻⁷	6.7	7.0 × 10⁻⁹	[50]
Pure Fe^c	6.0 × 10⁻⁸	5.6	6.3 × 10⁻⁹	[51]
Pure Ni^c	-	30.0	3.0 × 10⁻¹²	[54]
Pure Ni^c	7.5 × 10⁻⁷	39.1	1.1 × 10⁻¹³	[52]

Fig. 6. Thermal desorption spectroscopy curves of typically traditional fcc-microstructural alloys and CoCrFeMnNi HEA, showing the difference of the peak temperature. (a) 304 steel [61]; (b) 316L steel [61]; (c) Medium-manganese austenitic stainless steel [64], showing irreversible hydrogen traps; (d) CoCrFeMnNi [20], (e) CoCrFeMnNi [65] and (f) CoCrFeMnNi [17] HEA with a wide range of the peak temperature (100-410 °C).

Fig. 7. Effect of alloy elements on tensile mechanical properties of multi-principal element alloys. (a) N element (CoCrFeMnNi alloy) [10]; (b) B element (CoCrNi alloy) [32]; (c) Mn element (CoCrFeMnNi alloy) [79]; (d) Mo element (CoCrNi alloy) [33].

Fig. 8. Stress-strain curves of hydrogen uncharged and charged CoCrFeMnNi HEAs. (a) Hydrogen enhances yield strength and plasticity [70]; (b) Hydrogen has no effect on yield strength [9]; (c) Yield strength and plasticity decrease after hydrogenation [74].

Fig. 9. Hydrogen-assisted crack initiation and propagation sites of the HEAs. (a) Matrix/carbide interfaces [75]; (b) Grain boundary [74]; (c) Fcc-matrix/ε-martensite interfaces [27]; (d-f) Hydrogen-assisted cracking along (001) plane, bisecting two {111} planes [95].

Fig. 10. Comparison of the ruptured tensile bars of CoCrFeNi alloys in (a, c) uncharged sample [25] and (b, d) hydrogen-charged sample [25]. (e, f) Microstructure beneath of hydrogen-induced intergranular facet [25], showing dislocation cell and twin structure. (g) Histograms of the orientation deviation with respect to the mean orientation of select grains in uncharged and hydrogen-charged alloys [25].

Fig. 11. (a) EBSD band contrast map and (b) bright-field TEM image of cryogenic temperature caliber rolling (CTCRed) CoCrFeMnNi HEA [15], showing the activation of a number of twins; The comparison of stress-strain curves (c) and notch fracture stress (d) vs. diffusible hydrogen content of initial HEA, CTCRed HEA, tempered-martensitic steel and a 1.6 GP-grade pearlitic steel [15].

Fig. 12. Deformation micromechanisms in different regions of hydrogen charged CoCrFeMnNi HEA samples after cryo-deformation (77 K). (a) EBSD map showing the cross-section regions selected for further TEM analysis [9]. (b-d) Bright-field TEM, dark-field TEM, and selected area diffraction (SAD) pattern for a typical surface region [9]. (e-g) Bright-field TEM, dark-field TEM, and SAD pattern for a typical inner region. CH refers to the concentration of hydrogen [9].

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