Impact of Mn Alloying on Phase Stabilities, Magnetic Properties and Electronic Structures in Fe.

Impacts of Mn alloying on lattice stabilities, magnetic properties, electronic structures of the bcc and fcc phases and the fcc→bcc phase transition in Fe16-xMnx (x = 0, 1 and 2) alloys are studied by first-principles calculations. Results show that the doped Mn atom prefers ferromagnetic and antiferromagnetic interaction with the host Fe atoms in the bcc and fcc phases, respectively. In these two phases, the magnetic moment of Mn is smaller and larger than Fe, respectively. The local moment of Fe is decided by the Fe-Mn distance in the bcc phase, whereas in the fcc phase, it is determined by spatial orientation with Mn. In the different phases, Mn prefers different site occupations, which can be understood from the electronic density of states near Fermi energy, implying a possibility of element redistribution during phase transition. The driving force of phase transition decreases with Mn alloying. Both destabilized bcc phase and stabilized fcc phase contribute to the inhibited phase transition, but the latter plays a dominant role. Antiferromagnetism is recognized as the key reason for the enhanced stability of the fcc phase by Mn alloying.

Achieving Excellent Strength-Ductility Balance in Single-Phase CoCrNiV Multi-Principal Element Alloy.

CoCrNi alloys exhibit excellent strength and ductility. In this work, the CoCrNiV multi-principal alloy with single-phase fine grained (FG) structure was prepared by rolling and heat treatment. The characteristics of deformation microstructures and mechanical properties were systematically investigated by scanning electron microscope (SEM) and transmission electron microscope (TEM). The results indicate that the CoCrNiV alloy successfully attains a yield strength of 1060 MPa while maintaining a uniform elongation of 24.1%. The enhanced strength originates from FG structure and severe lattice distortion induced by V addition. Meanwhile, the exceptional ductility arises from the stable strain-hardening ability facilitated by dislocations and stacking faults. The deformation mechanisms and the optimization strategies for attaining both strength and ductility are thoroughly discussed.

Effects of V Addition on the Deformation Mechanism and Mechanical Properties of Non-Equiatomic CoCrNi Medium-Entropy Alloys.

Equiatomic CoCrNi medium-entropy alloys exhibit superior strength and ductility. In this work, a non-equiatomic CoCrNi alloy with low stacking fault energy was designed, and different fractions of V were added to control the stacking fault energy and lattice distortion. Mechanical properties were evaluated by tensile tests, and deformation microstructures were characterized by transmission electron microscope (TEM). The main deformation mechanisms of CoCrNiV alloy with low V content are dislocation slip, stacking faults, and deformation-induced HCP phase transformation, while the dominant deformation patterns of CoCrNiV alloy with high V contents are dislocation slip and stacking faults. The yield strength increases dramatically when the V content is high, and the strain-hardening behavior changes non-monotonically with increasing the V content. V addition increases the stacking fault energy (SFE) and lattice distortion. The lower strain-hardening rate of 6V alloy than that of 2V alloy is dominated by the SFE. The higher strain-hardening rate of 10V alloy than that of 6V alloy is dominated by the lattice distortion. The effects of V addition on the SFE, lattice distortion, and strain-hardening behavior are discussed.

Theory of transformation-mediated twinning.

High-density and nanosized deformation twins in face-centered cubic (fcc) materials can effectively improve the combination of strength and ductility. However, the microscopic dislocation mechanisms enabling a high twinnability remain elusive. Twinning usually occurs via continuous nucleation and gliding of twinning partial dislocations on consecutive close-packed atomic planes. Here we unveil a completely different twinning mechanism being active in metastable fcc materials. The transformation-mediated twinning (TMT) is featured by a preceding displacive transformation from the fcc phase to the hexagonal close-packed (hcp) one, followed by a second-step transformation from the hcp phase to the fcc twin. The nucleation of the intermediate hcp phase is driven by the thermodynamic instability and the negative stacking fault energy of the metastable fcc phase. The intermediate hcp structure is characterized by the easy slips of Shockley partial dislocations on the basal planes, which leads to both fcc and fcc twin platelets during deformation, creating more twin boundaries and further enhancing the prosperity of twins. The disclosed fundamental understanding of the complex dislocation mechanism of deformation twinning in metastable alloys paves the road to design novel materials with outstanding mechanical properties.

Effects of Substrate Roughness on Microstructure and Fatigue Behavior of Plasma Electrolytic Oxidation-Coated Ti-6Al-4V Alloy.

Ceramic coatings were prepared by plasma electrolytic oxidation (PEO) on four different surface roughness' of Ti-6Al-4V alloys. The effects of substrate roughness on the microstructure and fatigue behavior were investigated. Microstructural characterization was carried out by scanning electron microscopy (SEM) and a laser scanning confocal microscope. In addition, an X-ray diffractometer (XRD) and a U-X360 stress meter were used to analyze the phase composition and residual stress properties of the coatings. The microstructure of coatings revealed the growth mechanism of the coatings. The larger and deeper grooves of the substrate promoted the nucleation and growth of the PEO coating, but the defects (cracks and pores) of the oxide layer became more serious. The fatigue test indicated a significant influence of substrate roughness on the fatigue life under low cyclic stress. The fatigue damage of PEO coatings decreases as the surface roughness of substrates decreases because of the synergistic effect of the coating surface defects and coating/substrate interface roughness. Substrate roughness influences the quality and fatigue performance of the oxide layer.

Hierarchical twinning governed by defective twin boundary in metallic materials.

Dense networks of deformation twins endow metals and alloys with unprecedented mechanical properties. However, the formation mechanism of these hierarchical twin structures remains under debate, especially their relations with the imperfect nature of twin boundaries (TBs). Here, we investigate the intrinsic deformability of defective TBs in face-centered cubic metallic materials, where the inherent kinks on a set of primary TBs are demonstrated to facilitate the formation of secondary and hierarchical nanotwins. This defect-driven hierarchical twinning propensity is critically dependent on the kink height, which proves to be generally applicable in a variety of metals and alloys with low stacking fault energies. As a geometric extreme, a fivefold twin can be constructed via this self-activated hierarchical twinning mechanism. These findings differ from the conventional twinning mechanisms, enriching our understanding of twinning-mediated plasticity in metallic materials.

Unique transition of yielding mechanism and unexpected activation of deformation twinning in ultrafine grained Fe-31Mn-3Al-3Si alloy.

Tensile mechanical properties of fully recrystallized TWIP steel specimens having various grain sizes (d) ranging from 0.79 µm to 85.6 µm were investigated. It was confirmed that the UFG specimens having the mean grain sizes of 1.5 µm or smaller abnormally showed discontinuous yielding characterized by a clear yield-drop while the specimens having grain sizes larger than 2.4 µm showed normal continuous yielding. In-situ synchrotron radiation XRD showed dislocation density around yield-drop in the UFG specimen quickly increased. ECCI observations revealed the nucleation of deformation twins and stacking faults from grain boundaries in the UFG specimen around yielding. Although it had been conventionally reported that the grain refinement suppresses deformation twinning in FCC metals and alloys, the number density of deformation twins in the 0.79 µm grain-sized specimen was much higher than that in the specimens with grain sizes of 4.5 µm and 15.4 µm. The unusual change of yielding behavior from continuous to discontinuous manner by grain refinement could be understood on the basis of limited number of free dislocations in each ultrafine grain. The results indicated that the scarcity of free dislocations in the recrystallized UFG specimens changed the deformation and twinning mechanisms in the TWIP steel.

Deformation-induced crystalline-to-amorphous phase transformation in a CrMnFeCoNi high-entropy alloy.

The Cantor high-entropy alloy (HEA) of CrMnFeCoNi is a solid solution with a face-centered cubic structure. While plastic deformation in this alloy is usually dominated by dislocation slip and deformation twinning, our in situ straining transmission electron microscopy (TEM) experiments reveal a crystalline-to-amorphous phase transformation in an ultrafine-grained Cantor alloy. We find that the crack-tip structural evolution involves a sequence of formation of the crystalline, lamellar, spotted, and amorphous patterns, which represent different proportions and organizations of the crystalline and amorphous phases. Such solid-state amorphization stems from both the high lattice friction and high grain boundary resistance to dislocation glide in ultrafine-grained microstructures. The resulting increase of crack-tip dislocation densities promotes the buildup of high stresses for triggering the crystalline-to-amorphous transformation. We also observe the formation of amorphous nanobridges in the crack wake. These amorphization processes dissipate strain energies, thereby providing effective toughening mechanisms for HEAs.

Combination of dynamic transformation and dynamic recrystallization for realizing ultrafine-grained steels with superior mechanical properties.

Dynamic recrystallization (DRX) is an important grain refinement mechanism to fabricate steels with high strength and high ductility (toughness). The conventional DRX mechanism has reached the limitation of refining grains to several microns even though employing high-strain deformation. Here we show a DRX phenomenon occurring in the dynamically transformed (DT) ferrite, by which the required strain for the operation of DRX and the formation of ultrafine grains is significantly reduced. The DRX of DT ferrite shows an unconventional temperature dependence, which suggests an optimal condition for grain refinement. We further show that new strategies for ultra grain refinement can be evoked by combining DT and DRX mechanisms, based on which fully ultrafine microstructures having a mean grain size down to 0.35 microns can be obtained without high-strain deformation and exhibit superior mechanical properties. This study will open the door to achieving optimal grain refinement to nanoscale in a variety of steels requiring no high-strain deformation in practical industrial application.

Exceptional high fatigue strength in Cu-15at.%Al alloy with moderate grain size.

It is commonly proposed that the fatigue strength can be enhanced by increasing the tensile strength, but this conclusion needs to be reconsidered according to our study. Here a recrystallized α-Cu-15at.%Al alloy with moderate grain size of 0.62 µm was fabricated by cold rolling and annealing, and this alloy achieved exceptional high fatigue strength of 280 MPa at 10(7) cycles. This value is much higher than the fatigue strength of 200 MPa for the nano-crystalline counterpart (0.04 µm in grain size) despite its higher tensile strength. The remarkable improvement of fatigue strength should be mainly attributed to the microstructure optimization, which helps achieve the reduction of initial damage and the dispersion of accumulated damage. A new strategy of "damage reduction" was then proposed for fatigue strength improvement, to supplement the former strengthening principle. The methods and strategies summarized in this work offer a general pathway for further improvement of fatigue strength, in order to ensure the long-term safety of structural materials.