B2 Phase Research Articles

Formation and strengthening mechanism of high entropy nugget for aluminum/steel resistance rivet welding

Resistance rivet welding (RRW) was a promising joining process for aluminum (Al) alloy and steel. The high entropy mixed nugget (HEMN) with the composition of Al0.8CoCrFe1.6Ni was obtained by introducing a high entropy alloy (HEA) rivet in RRW process. The high entropy played a significant role in facilitating the formation of solid solution. The HEMN microstructure exhibited a nanometer-sized weave-like structure caused by spinodal decomposition, comprising both BCC and B2 phases. The average hardness of the HEMN exceeded that of the Al/Steel mixed nugget, resulting in higher lap-shear strength and ductility. The analysis of strengthening mechanism demonstrated that the lattice misfit and order strengthening were the primary contributors. This study provided a novel strategy for joining dissimilar metal materials.

Theoretical aspects of structure, electronic, optical and elastic properties of Ca(1-x)CxSe mixed alloys in binary and ternary phases

The structural, optoelectronic, and elastic properties of Carbon doped Calcium Selenide binary and ternary semiconductor alloys with the general form of Ca(1-x)CxSe, 0 ≤ x ≤ 1 in B1 and B3 phases have been scrutinized adopting augmented plane wave plus local orbital methods within density functional theory applying different approximations like the Local density approximation (LDA), Wu-Cohen-Generalized Gradients Approximation (WC-GGA) and modified Becke-Johnson (mBJ). Structural properties summarize the crystal structure, relevant atomic positions, lattice constant, Bulk modulus B0, minimum energy E0, and minimum volume V0. Elastic constants confirm the structure stability of the B1 and B3 phases. The band gap was modified from a wider for appropriate optoelectronic devices application to narrow that enhanced the range of applicability of these binary and ternary semiconductor compounds for optoelectronic device applications. Whereas optical properties which include the study of zero frequency limit of static dielectric constant ε0(ω) with its real and imaginary parts, static refractive index n(0), optical reflectivity R(ω), optical absorption coefficient α(ω), optical conductivity σ(ω), and loss function L(ω) studied comprehensively to get real electrical and optical properties of these materials and give semiconductor market best alternative candidate which shows its effectiveness in the visible, ultraviolet and infrared region of the electromagnetic spectrum. Obtained results compared together and with the available experimental along with theoretical work on these binary and ternary Carbon-doped Alkaline earth Selenide.

Achieving a remarkable strength–ductility combination in a novel casting AlCoCrNi high entropy alloy

We prepared a novel cast high-entropy alloy (HEA) that comprises a dual-phase microstructure with L12 and B2 phases. Our designed HEA achieved a remarkable strength–ductility balance (tensile strength of ∼1025 MPa and uniform elongation of ∼30 %, which well outperforms many as-cast HEAs including arc-melting and directly cast HEAs.

Influence of phase transition on the mechanical and optical properties of SrSe and SrTe compounds via ab initio calculations

Elastic and optical properties of strontium chalcogenides SrX (X = Se and Te) were studied under hydrostatic pressure using the flat wave method (PP-PW) implemented in the CASTEP code. The main parameter carried out was the pressure impact at ambient conditions. Indeed, under high pressures, both compounds have undergone a structural phase transition from B1 to B2 phases at ∼15.5 GPa and ∼12 GPa, respectively. Results also showed that in the B2 phase, the two postulated compounds have changed their electronic nature to become metals at metallic pressures equal to ∼16.8 GPa (SrSe) and ∼17.7 GPa (SrTe). Also, the elastic properties were calculated at different pressure values in NaCl and CsCl structures, including their elastic constants as a function of pressure for SrSe and SrTe. Their optical properties were also computed from the spectral data obtained through their dielectric function, refractive index (2.1, 2.3) and others in the visible range.

Single-crystal elastic moduli, anisotropy, and the B1–B2 phase transition of NaCl at high pressures

Pressure dependences of the highest and lowest possible longitudinal sound velocities in single crystals of the B1 and B2 phases of NaCl were extracted from examination of their polycrystalline samples using the technique of time-domain Brillouin scattering. Based on the data collected up to 41 GPa, we largely extended the pressure range where single-crystal elastic moduli, Cij(P), and elastic anisotropy of the two cubic phases are measured, especially the experimental data for the B2 phase formed upon the reconstructive phase transition. The B1 phase of NaCl exhibits strong and growing anisotropy with increasing pressure, while that of the B2 phase is much weaker. Comparing with the previous experimental Cij(P) of other compounds exhibiting or expected to exhibit the B1–B2 phase transition, such as CaO, MgO, and (Mg1−x, Fex)O, we concluded that the transition is initiated by the shear instability due to violation of the Born stability criterion [C44(P)–P] > 0 and predicted the presently-not-verified transition pressures for MgO and (Mg1−x, Fex)O.

Microstructural characteristics and mechanical response of transient liquid-phase diffusion bonding AlCoCrFeNi2.1 high entropy alloy utilizing BNi-5 interlayer

This study focuses on the microstructural characteristics and mechanical response of the transient liquid phase (TLP) diffusion-bonded joints of AlCoCrFeNi2.1 high entropy alloy. Bonging parameters were chosen and optimized for the AlCoCrFeNi2.1 alloy and the TLP joining mechanism. The relatively complete isothermal solidification zone (ISZ) ensured a reliable connection of the base metal. As the bonding temperature increased from 1060 °C to 1160 °C, the athermal solidification zone (ASZ) disappeared. The homogenization degree of elements in the ISZ continuously increased, the matrix γ phase became fully ordered, and the B2 phase was precipitated, achieving high entropy state in the ISZ of the joint. Additionally, semi-coherent relationships of [0, 1, 1] L12, [0, 1, 1] B2 and (1, 1̅,1) L12, (2̅, 3, 1̅) B2 were detected between the B2 precipitate phase and the L12 matrix. The phase distribution in the ISZ significantly influenced the mechanical properties of the joint. The complete ordering of the matrix phase at 1160 °C eliminated deformation incoordination between the ISZ and the diffusion-affected zone (DAZ). The B2 phase transitioned from precipitating at the grain boundary at lower temperatures to precipitating uniformly in the ISZ, eliminating the weakening effect of the grain boundary and resulting in tensile strength and elongation comparable to the base material. The fracture morphology indicated a mixed fracture mode.

Enhancing the strength-ductility synergy of dual-phase Al0.3CoCrFeNiTi0.3 high-entropy alloys through the regulation of B2 phase content

In this study, Al0.3CoCrFeNiTi0.3 high-entropy alloys (HEAs) with different phase contents and microstructures were prepared through cold rolling and recrystallization annealing. This method achieved a synergistic combination of strength and ductility, with the CR1000-1 HEA attaining an ultimate tensile strength of 1175 MPa and a uniform elongation of 21.5 %. In Al0.3CoCrFeNiTi0.3, there exist two distinct phase morphologies: dispersed structure and clustered structure. Using in-situ high-resolution digital image correlation at the microscale, it was observed that local strain in the dispersed structure tends to concentrate along the phase boundaries when a small strain is applied. As the applied strain increases, strain rapidly concentrates in the FCC phase and subsequently in the B2 phase. For the clustered structure, the strain initially concentrates rapidly within the B2 phase and then gradually diffuses into the FCC phase. The low degree of inhomogeneity of the dispersed structure reduces the likelihood of stress concentration and the risk of damage initiation. Furthermore, we observed the synergistic strain hardening effect produced by various deformation mechanisms, such as dislocation pile-ups, dislocation networks, interacting stacking faults, and deformation twins. This study provides valuable insights for the fabrication of dual-phase HEAs with enhanced strength-ductility synergy, applicable to a wide range of engineering applications.

Accelerated elimination of residual B2 phase in TiAl-based alloys by low-temperature annealing plus stretching

Low-temperature annealing plus stretching is an efficient method to accelerate the elimination of B2 phase in TiAl-based alloys. The stretching stress can produce radial compressive stress on atom and promote the formation of atomic vacancies, both of which promote the atom diffusion, thus accelerating the elimination of B2 phase.

Directionally solidified NiCoCrFeAlW eutectic high-entropy alloy: Microstructure and mechanical properties

The NiCoCrFeAlW eutectic high-entropy alloy exhibits a balanced combination of ductility and strength. This study examines the microstructure evolution and mechanical properties of the Ni30Co30Cr10Fe10Al18W2 alloy at varying growth velocities (10, 20, 50, 100, and 200 μm/s), which in its as-cast state, features a microstructure that includes both coarse dendrites and lamellar eutectic. The structure of the coarse dendrites is characterized by an ordered body-centered cubic (B2) phase, while the lamellar eutectic, features a combination of face-centered cubic (FCC) and ordered B2 phases. The microstructure, characterized by lamellar and dendritic structures that are parallel to the growth direction after directional solidification, undergoes a morphological transition at the solid-liquid interface from a planar to a dendritic form as growth velocity increases. The tensile fracture strength initially increases with the growth velocity, reaching a peak of 1286 MPa at a velocity of 50 μm/s, and then subsequently decreases as the growth velocity continues to increase. Directional solidification results in an increase in sample elongation with increasing growth velocity, achieving an elongation of 22.5% at 200 μm/s. An examination of the deformation mechanism reveals that the lamellar structure, composed of the more ductile FCC phase and the harder B2 phase, effectively harmonizes the plasticity and strength of the alloy. Therefore, directional solidification significantly adjusts the eutectic microstructure's orientation, thereby enhancing the mechanical properties along the direction of solidification.

Influence of hot rolling on microstructure, mechanical properties, and martensitic transformation of TiNiCuNb shape memory alloy

TiNiCuNb shape memory alloys are a promising new class of materials with the potential to be applied as elastocaloric components. However, the mechanical processing of these alloys remains a challenge and new insights on this topic must enlighten the knowledge about this system. In this work, the effects of hot rolling on Ti46Ni38Cu10Nb6 alloy were investigated. The results showed that hot rolling leads to the increase of martensitic transformation temperatures and the formation of a matrix containing both B2 and B19 phases. The coarsening of the lamellar eutectic constituent was observed, and part of the β-Nb phase precipitated into the matrix after being dissolved due to hot work. Microstructural aspects and ultra-microhardness measurements suggest that dynamic recrystallization occurred during hot rolling.

Effect of Er2O3 and Y2O3 on microstructure and mechanical properties of Ti2AlNb alloy

Rare earth oxides can significantly refine the microstructure of the cast alloys and improve their mechanical properties. In this study, Er2O3 and Y2O3 particles were chosen to add into the Ti2AlNb-based alloy with vacuum non-consumable arc melting method. For the Er2O3 particles, it has obvious dissolution and re-precipitation characteristics during melting. While for the Y2O3 particles, they are more stable, and aggregated and grew up during melting. These two kinds of Er2O3 or Y2O3 both have obvious refinement effects on the B2 grains due to their heterogeneous nucleation. Specially, adding Er2O3 particles can promote the decomposition of the B2 and α2 phases and the increases of the O-phase content. But adding the Y2O3 particles can inhibits the B2 decomposition and just only promotes the α2 decomposition into the O-phase. Additionally, the TAC-Er2O3 ingot shows the worst mechanical properties at room-temperature due to its large size and grain boundary segregation of the Er2O3 reinforcements. Conversely, the TAC-Y2O3 alloy exhibits excellent strength and ductility whatever at room- and high- temperatures owing to its fine grain strengthening and effective strengthening of the second precipitated Y2O3 phases.

Effect of Nb and Ti additions on microstructure, hardness and wear properties of AlCoCrFeNi high-entropy alloy

The use of Nb and Ti in the development of high-performance alloys is strategically important for technological advancement. The effect of Nb and Ti additions on the microstructure, hardness and tribological properties of the High Entropy Alloy (HEA) AlCoCrFeNi was evaluated. The addition of 0.6mol of Nb led to the formation of Laves phase, resulting in a B2/Laves type hypoeutectic microstructure. Conversely, increasing Ti concentration led to the formation of a dendritic microstructure, with interdendritic region composed of Cr-rich BCC-A2 and Fe-Ti rich Laves phase. The average hardness values obtained were 790 HV, 597 HV and 731 HV for AlCoCrFeNiNb0.6, AlCoCrFeNiTi0.5 and AlCoCrFeNiTi1.2 HEAs, respectively. The high hardness was attributed to the formation of the Laves phase and Cr-rich phases, in addition to solid solution hardening, as confirmed by the increase in the lattice parameter calculated by Rietveld refinement method for both B2 and BCC-A2 phases. While the three compositions exhibited comparable friction coefficient, the alloy containing Nb showed superior wear behavior. This was evidenced by the lower volume of material loss and the lower wear rate, which can be attributed to the fine and homogeneous hypoeutectic microstructure observed in the ingot’s cross section. The wear mechanisms were studied, characteristics features of abrasion and adhesion wear were observed.

Carbon-microalloying enhances strength-ductility synergy of (FeCoNi)90Al10 medium-entropy alloy via tailoring precipitation

The metastable high/medium-entropy alloys (H/MEAs) composing L12 nano-precipitates exhibit outstanding mechanical properties. In this work, the effect of carbon (C)-microalloying on the precipitation behavior and mechanical properties of (FeCoNi)90Al10 MEA was systematically investigated. With the addition of 0.2 at. % C, the yield strength of the alloy increased from 290.4 ± 1.3 MPa to 343.1 ± 2.8 MPa, the ultimate tensile strength increased from 648.5 ± 3.5 MPa to 686.1 ± 3.2 MPa, and the uniform elongation slightly increased after ageing for 45 min. C-microalloying resulted in a decrease of 0.85 kJ/mol and 0.26 kJ/mol in Gibbs free energy for face-centered cubic matrix to L12 and B2 phase transitions, facilitating the segregation of Al atom. This promoted the precipitation of L12 and B2 phases during ageing treatment, which enhanced ordering strengthening. The discontinuous precipitation was promoted at grain boundary after C-microalloying, providing an impetus for the movement of grain boundary. Meanwhile, the movement of grain boundary and the pinning of grain boundary by body-centered cubic precipitates resulted in the formation of grain boundary serration, which could release intergranular strain localization during deformation. Moreover, C-microalloying promoted the formation of planar slip and Taylor lattice during the deformation process, thus improving the plasticity. This finding provides a significant reference for C-microalloying and precipitate control of metastable MEAs.

Microstructural evolution and phase transformation behavior of Ni-Ti alloys prepared by accumulative roll bonding-deformation diffusion process

Ni-Ti shape memory alloys were prepared by accumulative roll bonding-deformation diffusion (ARB-DD) process. Effects of deformation heat treatment on the microstructural evolution and phase transition behavior of ARB-DD Ni-Ti alloy were investigated by thermodynamic calculations, and the intrinsic mechanism was revealed. The results show that strong shear is induced by intensified plastic flow of the metal at the interface, resulting the interfaces engage with each other. The simultaneous opening and cross-tangling of multi-directional dislocations leads to the dislocation cells and Taylor lattice interact near the interface, and the compounds are preferentially formed. The ARB-DD treatment resulted in a one-step phase transition for the Ni-Ti alloy. After deformation heat treatment, R-phases appear and the phase transition is transformed into two-step. During heating and cooling the phase transitions are B19’→R→B2 and B2→R→B19’, respectively. The thermal hysteretic temperature increases and reaches 57.0 °C. The microstructure transforms from dislocations to nano-twin. A lattice distortion zone with a width of about 10 nm exists at the interface between precipitates and the matrix. It reduces the energy barrier required for phase transformation, leading to stabilization of the B2 phase and de-stabilization of the B19’ phase. Eventually, a wider temperature interval for the phase transformation is obtained. This process is an effective way to prepare Ni-Ti alloys with favorable shape memory effect.

Density Functional Theory Study of Lanthanide Monoxides under High Pressure: Pressure-Induced B1–B2 Transition

Using density functional theory, we study the influence of hydrostatic pressure on the crystal structure of lanthanide monoxides, focusing on the monoxides formed by the fifteen elements of the lanthanide series, from La to Lu. Calculations are performed using two methods for the ambient pressure B1 (NaCl type) structure, the general gradient approximation (GGA) and the local density approximation (LDA). Through a systematic comparison with existent experimental data, we find that the first method agrees better with the experiments. In addition, considering other cubic structures previously reported for lanthanide monoxides, as B2 (CsCl type) and B3 (ZnS type), we explore the possibility of the occurrence of pressure-induced phase transitions. Based on the better accuracy of GGA to describe the B1 phase at ambient conditions, we exclusively use GGA for the high pressure study. We find, for the fifteen studied compounds, that, at ambient pressure, the B1 structure is the one with the lowest enthalpy, being therefore the most thermodynamically stable structure. We also determine that, at elevated pressures, all the studied compounds undergo a structural phase transition to the B2 phase. We finally establish the relationship between pressure and volume of the unit cell, along with the associated isothermal equation of state, determining the bulk modulus.

Thermodynamic and Kinetic Properties of the Lithium-Silver System.

A carbon-silver anode has recently been shown to suppress dendrite formation in all-solid-state lithium-ion batteries. The role that silver plays in enabling the reversible deposition and stripping of lithium remains unknown. Furthermore, very little is known about the thermodynamic and kinetic properties of Li x Ag1-x alloys. Here, we report on an in-depth first-principles study of phase stability and diffusion mechanisms in the Li-Ag alloy system. We identify two new intermetallic phases that are predicted to be stable in Li-rich Li x Ag1-x alloys with stoichiometries of Li3Ag and Li11Ag2. Our calculations show that the peculiar and highly anharmonic energy surface of pure Li along the Bain and Burgers paths persists upon the addition of Ag to BCC Li. This has important implications for room-temperature phase stability and mechanical properties. We have also performed a systematic study of diffusion mechanisms in the Li x Ag1-x alloy system as a function of alloy concentration x. Diffusion in alloys and intermetallics is mediated by vacancies. High vacancy formation energies are predicted in the Li x Ag1-x alloy, especially in Ag-rich FCC solid solutions. Complex diffusion mechanisms are identified in the B2 and γ-brass intermetallic phases that include two-atom hops and second-nearest neighbor hops. The migration barriers are found to decrease with increasing Li concentration, with predictions of exceptionally low migration barriers of 0.1 eV in the D03 Li3Ag phase.

The corrosion behavior and passive film properties of the cast and annealed AlCoCrFeNi2.1 eutectic high-entropy alloy in sulfuric acid solution

The effect of microstructure on the corrosion behavior and film properties of strengthened AlCoCrFeNi2.1 eutectic high-entropy alloy (EHEA) was investigated. Annealing of the 80 % cold-rolled AlCoCrFeNi2.1 EHEA at 650–1200 ℃ effectively improved the stable passive region to 930 mV, and decreased the passive current density by 25 % to 3.5 μA/cm2 compared with the cast alloy in 0.1 M H2SO4 solution. The improved corrosion resistance of the annealed AlCoCrFeNi2.1 EHEA was attributed to the increasing oxides proportion and thickness of passive film and the reduced composition difference between FCC and B2 phases. The B2 phase in lamellae suffered the severest corrosion.

Revealing the oxidation behavior of AlCrxFeNi lightweight multi-principal element alloys via experimental and first-principles calculations

Developing alloys capable of withstanding high temperatures is crucial for modern engineering applications. Introducing multi-component alloys (MPEAs) has provided new strategies for designing high-temperature alloys. We have successfully prepared a series of AlCrxFeNi lightweight MPEAs in this study. The oxidation behavior of AlCxFeNi lightweight at 800 °C was investigated systematically through a combination of experimental methods and first-principles calculations. The microstructure characterization before oxidation reveals that the lightweight AlCrxFeNi MPEAs consist of BCC and B2 phases. In contrast, the AlCrFeNi alloy exhibited a microstructure characterized by typical eutectic features. Oxidation tests indicate that all three alloys exhibited oxidation kinetics following a parabolic law, with oxidation rates decreasing as the Cr content increased. Post-oxidation microstructural characterization revealed an oxide layer composed primarily of Al2O3 and Cr2O3 on the alloy surfaces. First-principles calculations provided insights into the microscopic mechanisms underlying the oxidation process. The results demonstrate that the adsorption energy of the O atom at the top position of the Cr atom is significantly lower than that of the Al atom at the top position. Electronic structure analysis shows that the Cr-O covalent bonding is stronger than the Al-O covalent bonding, which accounts for the oxidation resistance improvement as the Cr element content increases. This study advances MPEAs for high-temperature environments by elucidating these microscopic mechanisms.

Nanoindentation behaviors of the AlCoCrFeNi2.1 eutectic high-entropy alloy: The effects of crystal structures

The AlCoCrFeNi2.1 eutectic high-entropy alloy (EHEA), as a kind of in-situ composite materials, have achieved good match of strength and plasticity due to its typical eutectic lamella structures. Although many previous studies have investigated the indentation behaviors of the AlCoCrFeNi2.1 EHEA, there are still some controversies about the hardness characteristic of different crystal structures, requiring further clarification. Accordingly, in this study, nanoindentation tests were conducted to investigate the indentation behaviors of different crystal structures (primary L12 phase, primary B2 phase, and the eutectic phase region). The residual indentation and the crystallographic orientations were characterized by the laser scanning confocal microscope, scanning electron microscope, and electron backscatter diffraction. The hardness in different crystal structures were comparatively analyzed and the material deformation mechanisms were discussed correspondingly. The statistic results showed that the eutectic phase region had the lowest hardness, and primary B2 phase had the highest hardness. Furthermore, the slip lines in the primary L12 phase were evenly distributed near the residual indentation, but the slip lines in the eutectic phase region were concentrated near the phase boundaries. These findings are expected to deepen the understanding of the microscale deformation behaviors of EHEAs.

Breaking strength-plasticity trade-off in heterostructure CrFeNiAl0.28Si0.09Ti0.02Cu0.01 high entropy alloy by heat-treatment-induced nano-precipitation

In this study, heat treatment was employed to enhance the mechanical properties of an as-cast CrFeNiAl0.28Si0.09Ti0.02Cu0.01 high entropy alloy (HEA) with the heterostructure consisting of face-centered cubic (FCC), body-centered cubic (BCC) and B2 phases. It was observed that, after heat treatment at 873 K for 1 h followed by water-quenching, well-dispersed L12 and L21 nano-precipitates could be formed in FCC phase and BCC phase of this as-cast HEA, respectively. Furthermore, it is worth noting that despite a noticeable reduction in dislocation density, this heat treatment process significantly enhances yield strength, ultimate tensile strength, plasticity and hardness simultaneously, which could be attributed to the formation of nano-scale precipitates mentioned above. These findings provide a novel approach for fabricating high-performance HEAs by introducing complex multi-level heterogeneity.