Solute Atoms Research Articles

Isothermal β grain growth kinetics and mechanical properties of Ti-351 titanium alloy

The Ti-3.6Al-5.2Mo-4.6Cr-4.7 V-0.7Fe (Ti-351) alloy was developed based on the d-electron theory and the β grain growth behavior during isothermal heat treatment (IHT) was investigated. The nanoindentation analysis of β grain and the tensile properties with different IHT states were carried out. The results showed the grain coarsening temperature of Ti-351 alloy is 850 °C. The grain growth activation energy Q of 75.11–133.92 kJ/mol and the grain growth exponents n of 0.28–0.33 were calculated, indicating a competition between alloy atom diffusion and grain boundary migration. Due to the enhanced diffusion of solute atoms and lower substructure density at higher IHT temperature and longer holding time, the hardness and creep stiffness of β grain would decrease as indicated by nanoindentation test, while the total work W and the plastic deformation work Wp would increase, suggesting an improved toughness of the alloy. In order to achieve full recrystallization of β grains and a better balance between tensile strength and plasticity at room temperature, it is recommended to select a solution heat treatment regime at 850–900 ℃ for 2–4 h.

Effect of Bi on the Tensile and Viscoplastic Behavior of Sn-Ag-Cu-Bi Alloys Used for Microelectronics Applications

Sn-Ag-Cu-Bi (SAC-Bi) alloys are gaining popularity as a potential replacement for current lead-free solder alloys in microelectronic packages. In this study, the tensile and viscoplastic behaviors of eight SAC-Bi alloys with 0, 1 wt.%, 2 wt.%, and 3 wt.% Bi content were investigated. The samples of these eight alloys were cast, aged at room temperature, 75 °C and 125 °C, and tensile-tested at rates of 0.1/s, 0.01/s, and 0.001/s in ambient and elevated temperature environments to facilitate the quantification of viscoplasticity using the Anand viscoplastic model. The Anand parameters of all eight alloys in the as-cast and aged conditions were determined. Tensile strength was found to increase with the addition of Bi. Additionally, alloys containing 2 and 3 wt.% Bi showed a 5 to 10% increase in tensile strength after isothermal aging of 90 days at 125 °C. On the contrary, the tensile strength of alloys with up to 1 wt.% Bi decreased by 22 to 48% after such aging. Using a Scanning Electron Microscope (SEM) and energy dispersive spectroscopy (EDS), the microstructure of the alloys was characterized. The aging-induced property changes in the samples were correlated to strengthening by Bi solute atoms for alloys with 1 wt.% Bi and the formation of Bi precipitation for alloys with 2 wt.% and 3 wt.% Bi.

Deformation Behavior of AZ31 Magnesium Alloy with Pre-Twins under Biaxial Tension.

In the present study, the mechanical response and deformation behavior of a Mg AZ31 plate with different types of pre-twins was systematically investigated under biaxial tension along the normal direction (ND) and transverse direction (TD) with different stress ratios. The results show that significant hardening was observed under biaxial tension. The yield values in the direction of larger stress values were higher than those under uniaxial loading conditions, and the solute atom segregation at twin boundaries generates more obvious strengthening effect. Noting that, for TRH (with cross compression along the rolling direction (RD) and TD and annealing at 180 °C for about 0.5 h) sample, the strength effect of the RD yield stress σRD:σND = 2:1 was higher than that of the ND yield stress under stress ratio σRD:σND = 1:2. There is a complex competition between twinning and detwinning under biaxal tension along the ND and TD of the pre-twinned samples with the variation in the stress ratio along the TD and RD. The variation in the twin volume fractions for all samples under biaxial firstly decreases and then increases with a higher stress ratio along the ND. As for the TDH sample (precompression along the TD and annealing), the changes of the twin volume fraction were lower than that of the TR sample (cross compression along the TD and RD). However, the amplitude of variation in twin volume fraction of the TRH sample is higher than that of the TR sample. This is because the relative activity of detwinning decreases and that of twinning increases, as the ND stress mainly leads to the growth of pre-twins and the TD stress often promotes detwinning of primary twins. With a higher stress ratio along the ND, the activity of twinning deformation increases and that of detwinning decreases.

A comprehensive investigation of alloying elements on site preferences, elastic properties and electronic structure of Mg17Al12 by first-principles calculations

The effect of elemental doping on the site preference, elastic properties and electronic structure of Mg17Al12 has been systematically investigated by first-principles calculations. And twenty-seven elements (Li, Na, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, Sr, Y, Zr, Ag, Cd, In, Sn, Sb, Pb, Bi and La) are considered in this study. The calculations of substitution formation energies indicate that the alkali metal (Li), alkaline earth (Ca, Sr) and rare earth (Sc, Y, La) group elements and Ti, Zr favor to occupy Mg sites, and transition group (Fe, Co, Ni, Cu, Ag, Zn, Cd) elements and Ga, Ge, Sn, Sb prefer to occupy Al site, while Na, K, V, Cr, Mn, In, Pb and Bi are unstable in Mg17Al12 phase. Meanwhile, the results of phonon dispersion curves for the preferentially doped systems show that all doped structures are dynamically stable except for Sr, La and Sn doped systems. The elastic constants indicate that all preferential doping models are mechanically stable, and solute atoms with high bulk modulus lead to an increase in the bulk modulus of Mg17Al12 phase. Simultaneously, the calculated shear modulus/bulk modulus ratio (G/B), Poisson's ratio (v) and Cauchy's pressure (C‾12‐C‾44) indicate that the ductility of doped systems is better than Mg17Al12 alloy. All structures are elastic anisotropic, while the doping of Fe, Co and Ni reduces the degree of anisotropy of Mg17Al12 phase. Furthermore, the electronic structures show a strong hybridization between the p-orbitals of Mg and Al and the d-orbitals of alkaline earth, rare earth and Zr elements, resulting in higher structural stability. Finally, the adsorption behavior of O atom on Mg17Al12(110) surface and the structural stability, lattice constants, and elastic modulus of Mg34Al24-xZnx random solid solution alloys are investigated.

Possibility and stabilizing effect of Mo clusters in the Ni-based single-crystal superalloy

Nickel-based single-crystal superalloys are crucial materials for the preparation of aero-engine turbine blades. Many solute elements are added to superalloys for strengthening. However, the relationship between the clustering behavior of solute atoms and the properties of nickel-based single-crystal superalloys is still unclear. Herein, we conduct first-principles calculations on γ phases with Mo−Mo and Mo−Mo−Ru clusters to reveal the possibility and stabilizing mechanism of solute clusters. Introducing Mo lowers the total energy, binding energy, and formation energy of the γ phase due to the replacement of weak Ni−Ni interaction with strong Mo−Ni bonding. Note that the γ phase containing the Mo−Mo cluster is more stable than that containing a Mo single atom, possibly owing to a wide affecting range. The Ru atom added to the γ phase can further boost system stability, and it tends to form a Mo−Mo−Ru cluster. The stabilizing impact of the Mo−Mo−Ru cluster is demonstrated to be the replacement of weak Ni−Mo interaction by the strong Ru−Mo interaction, which may be derived from the enhanced d-orbital hybridization.

Electric pulse-induced suppression of the Portevin – Le Chatelier behavior of 5086 aluminum alloy under uniaxial tension

The electrical-assisted tensile tests of 5086 Al alloy sheets with different current parameters were carried out at room temperature with a frequency of 150 Hz and voltages of 50 V, 60 V and 70 V. It was found that the serrated plastic instability (named PLC effect) was eliminated as the pulse current increased to 150 Hz/60 V, but the PLC effect was observed with 150 Hz/50 V. To distinguish the thermal effect and athermal effects of pulse current on PLC effect, the comparative heating tensile (HT) test in furnace with a temperature rising trend of 150 Hz/60 V was conducted. The obtained curves still showed serrated flow behavior, indicating that the thermal effect was insufficient to suppress the PLC effect. The influence of pulse current on the microstructure and texture evolution was investigated through TEM and EBSD. According to the microscopic analysis, the pulse current accelerated the solute atoms' diffusion and dislocation movement. S orientation {123}<634> of 150 Hz/60 V presented more obvious transformation compared with that of HT specimen. It was illustrated that the athermal effect of pulse current plays an important role in the crystal orientation and suppressing the PLC effect.

Understanding thermal transport in magnesium solid solutions through first-principles approaches and machine learning feature screening

The solid solution phases have a large influence on the thermal conductivity of alloys, but the physics behind this effect is complicated. Existing works mainly utilize experimental methods to study the thermal conductivity of alloys. However, due to the coexistence of multi-phase and insufficient understanding of the microscopic property variations in different alloy systems, it remains unclear how different solute atoms can affect the thermal transport of solid solutions. In this work, we employ first-principles simulations based on the Korringa–Kohn–Rostoker coherent potential approximation method and the Boltzmann transport equation to calculate the thermal conductivity of 38 binary magnesium solid solutions with dilute solute atom concentration. Solute atoms can greatly reduce the thermal conductivity of magnesium. Phonon contribution is found to be less than 10 %. The machine learning feature screening methods are further applied to identify the key properties that influence their thermal conductivity the most. Different from the commonly used Linde's law, which states that the resistivity is proportional to the square of valence difference, the machine learning screening indicates that thermal conductivity is predominantly influenced by six features in total. Among them, the variance of the density of states of s + p, d + f orbitals at Fermi level is highly correlated to the electronic thermal conductivity of magnesium alloys. These correlations underscore the role of virtual bond states formed in magnesium alloys due to the presence of solute atoms. The developed method and uncovered physical mechanism can potentially be applied to other solid solution systems, which is an important step to achieve predictive design of high thermal conductivity metallic alloy.

Effects of multistage thermomechanical treatment on the microstructure and properties of Cu–Ni–Co–Si–Mg alloy strip by HCCM horizontal continuous casting

Multistage thermomechanical treatment experiments were conducted on Cu–Ni–Co–Si–Mg alloy strip prepared by the Heating Cooling Combined Mold (HCCM) horizontal continuous casting-cold rolling process. Effects of various heat treatments on the microstructure, mechanical properties, and electrical conductivity of the alloy were studied. The strengthening mechanisms and factors influencing the performance of each process has been analyzed. The tensile strength, yield strength, and electrical conductivity of Cu–Ni–Co–Si–Mg alloy can reach 894 MPa, 855 MPa, and 47.1 %IACS after a third-stage of thermomechanical treatment (TTMT). The cold rolling in first-stage of thermomechanical treatment (FTMT) not only caused work hardening of the alloy but also promoted the precipitation of solute atoms and the growth of second phase particles, limiting the increase in strength. Second-stage of thermomechanical treatment (STMT) effectively hindered the excessive growth of second phase particles in FTMT but shortened recrystallization process. The superior performance of Cu–Ni–Co–Si–Mg alloy after TTMT was attributed to dispersive precipitation of Ni, Co, and Si elements as (Ni, Co) 2Si phases in the copper matrix, strengthening the interaction between the precipitates and dislocations. A short process of HCCM horizontal continuous casting-cold rolling-thermomechanical treatment was developed to produce a high strength and highly electrically conductive Cu–Ni–Co–Si alloy strip used in lead frames.

Influence of SiC particles on the microstructure and mechanical behaviors of AlMgScZr alloy processed by laser powder bed fusion

Laser powder bed fusion (LPBF) of AlMgScZr alloy has garnered significant attention as a high-strength aluminum alloy. However, its low modulus, Portevin-Le Chatelier (PLC) behavior, and weak strain hardening capability restrict its application in the aerospace sector. In this study, SiC/AlMgScZr composites with different SiC content have been successfully fabricated using LPBF. The inherent bimodal grain structure of AlMgScZr alloy was not completely altered by the addition of SiC particles. However, with increasing SiC content, heat accumulation increased, and the solidification cooling rate decreased. This led to an increase in the size of α-Al grains in the 5 wt% SiC/AlMgScZr composites. Meanwhile, movable dislocations can be efficiently preserved inside the grains, where they effectively accumulate and become entangled. Consequently, the strain hardening capability of the 5 wt% SiC/AlMgScZr composites improved by approximately 58 % compared to AlMgScZr alloy, with a strain hardening index (n) reaching 0.29. Additionally, the addition of SiC particles led to an increase in the elastic modulus (81.0 GPa). Furthermore, the reaction between Mg atoms and SiC particles resulted in the formation of Mg2Si, which altered the distribution of Mg elements and initiated the reactive precipitation of a Mg-rich phase. There is no competition between the diffusive migration of solute atoms and the motion of movable dislocations within the composites. The additional SiC particles effectively eliminated the PLC effect in the LPBF of AlMgScZr alloy. This work provides essential guidance for developing high-strength and high-stiffness aluminum matrix composites with excellent processing properties in LPBF technology.

High temperature tensile properties and deformation behavior of CoCrFeNiW0.2 high entropy alloy

High entropy alloys (HEAs) have been a new-type of structural materials, which show good performance in various extreme conditions. In the present study, we systematically investigated the high temperature deformation behavior of as-cast CoCrFeNiW0.2 HEA under different temperatures from 298 to 1173 K and various strain rate of 1 × 10−4 s−1 to 5 × 10−3 s−1. An obvious temperature dependence of yield strength can be found with a remarkable decrease from 362 MPa at 298 K to 119 MPa at 1173 K. The normal Portevin–Le Chatelier (PLC) effect was presented in the intermediate temperature range of 673 K to 1073 K, the serrated flow transformed in the sequence of A → A + B → A + C → B + C → C with the increasing temperature, which is caused by dynamic strain aging (DSA). W atoms played an important role in the interaction between solute atoms and dislocations. Fractography analysis suggests the failure mode transition from transgranular fracture to intergranular fracture. Electron backscatter diffraction (EBSD) demonstrates that the high temperature deformation mechanism of the HEA is dominated by dynamic recovery (DRV). Additionally, transmission electron microscopy (TEM) was performed to observe the dislocation configurations and the interaction between dislocations and μ phase precipitates at various temperatures, and these results further identify the high temperature deformation mechanism. To summarize, this study indicates the proposed HEA has excellent high temperature mechanical properties and a wide range of potential applications in many fields.

Coupling effects of temperature and strain rate on the mechanical behavior and microstructure evolution of a powder-plasma-arc additive manufactured high-entropy alloy with multi-heterogeneous microstructures

A single-phase or simple-structured alloy does not always possess outstanding combinations of strength and ductility over a wide range of temperatures and strain rates for engineering applications. In the present work, a high-entropy alloy with multi-heterogeneous microstructures was in-situ fabricated via powder-plasma-arc additive manufacturing. The compressive behavior of the additive manufactured high-entropy alloy over a wide range of temperatures and strain rates was studied, using an improved split Hopkinson bar system and electronic universal testing machine. It shows exceptional combination of strength and ductility within the selected temperature and strain rate ranges. Microstructural evolution was characterized at various temperatures and strain rates, providing insight into the intricate relationship between microstructure and property. The multicomponent Laves phase is hard yet deformable, while the multicomponent FCC phase is soft and ductile. The deformation twins observed all over the selected temperature and strain rate ranges and dynamic recrystallization appearing at high temperatures in the FCC phase enhance the ductility of the FCC phase and rise the crack-arresting capability. The third-type strain aging occurs at different strain rates, which shifts to a higher temperature range as strain rate increases. Ta and impurity atom, Si, acting as “solute atoms” form atom atmosphere and silicide, pinning the moving dislocations in the FCC phase. Finally, a deformation mechanism map was proposed over a wide temperature and strain rate range. The study explored a potentially new avenue to design alloys with exceptional combinations of strength and ductility over a wide range of temperatures and strain rates.

Improved mechanical behavior of friction stir drilled 6082 aluminum alloy via T6 treatment

6082 Al-alloy underwent a friction stir drilling (FSD) processing. Subsequently, a two-stage post-heat treatment (PHT) procedure, i.e., solution treatment at 550 °C for 2 h, followed by artificial aging at 175 °C for 18 h, was implemented to significantly enhance microstructure and mechanical performance of the alloy. The microstructure was characterized by optical, laser, scanning electron and electron backscattered diffraction microscopes, while the mechanical behavior was assessed by a micro-indentation hardness tester, employing the indentation hardness (HIT) technique. Corrosion behavior of FSD as well as PHT specimens was investigated through electrochemical techniques.The microstructure of the base metal (BM) manifested an α-Al matrix with an average grain size of approximately 50 μm. FSD resulted in the creation of stirring zone (SZ) and thermo-mechanical affected zone (TMAZ), with respective widths of 400 ± 50 and 950 ± 100 μm. The SZ exhibited a very fine structure with an average grain size of 0.5 μm, thereby displaying increased hardness. The PHT microstructure displayed the formation of fine βʹ and βʺ second phase precipitate types, whereas the HIT hardness of the PHT α-aluminum matrix in the SZ, was lower than TMAZ and BM, due to reductions of βʹ in the SZ compared to TMAZ and BM. Moreover, the corrosion rate of the SZ decreased after the heat-treatment cycle, attributed to the recovery of strain energy induced during friction drilling and the increased solubility of solute atoms within the α-Al matrix.

Control of the grain structure and wear behavior of a Y2O3 nanoparticle dispersed Stellite 6 alloy fabricated by laser-directed energy deposition

A nuclear reactor is operated with load following that generates more wear than the base load; therefore, the wear resistance of the Stellite 6 alloy should be further improved. This study fabricated a wear-resistant oxide dispersion-strengthened (ODS) Co-based Stellite 6 alloy by varying the amount of Y2O3 nanoparticles (0, 0.6, and 1.5 wt%). The feedstocks for the ODS Stellite 6 alloy samples were prepared via mechanical mixing and radio frequency plasma spheroidization. The samples were then prepared by laser-directed energy deposition to obtain a finer grain structure with superior wear properties. In the ODS Stellite 6 alloy samples, the addition of nanoparticles changed the grain structure from columnar to equiaxed and refined the maximum grain size by 68.9 % compared with that of the Stellite 6 alloy sample. In addition, the nanoparticles were dispersed in the interdendritic region of the ODS Stellite 6 alloy samples. The nanoparticles formed a layer in front of dendritic grains and inhibited the movement of the grains and diffusion of solute atoms. As a result, the ODS Stellite 6 alloy samples had a small equiaxed grain structure. Furthermore, a high density of nanoparticles had an Orowan dispersion-strengthening effect. Therefore, the ODS Stellite 6 alloy samples exhibited a maximum increased Vickers hardness value of 15.9 % and maximum reduced specific wear rate of 58.2 % compared with those of the Stellite 6 alloy sample. Moreover, the ODS alloys exhibited superior wear behavior than Stellite 6 alloy because Y2O3 reinforcement prevents the ODS alloys from being easily abraded or plowed from counterpart material. This study indicates that the ODS Stellite 6 alloys with the optimal amount of Y2O3 nanoparticles dispersed control the grain structure and exhibit superior wear behavior compared with other reported Co-based alloys.

Continuous‐Flow Solution Plasma for the Atom‐Economic Synthesis of Single/Dual‐Atom Catalysts

AbstractSingle‐atom catalysts (SACs) manifest unique advantages in various aspects of catalysis but face challenges in atom‐economic synthesis. Solution reduction holds the promise of fast, continuous, and low‐cost synthesis of SACs, however, almost no chemical, electrochemical, or photochemical reduction can avoid the aggregation of metal atoms in solution. The issue becomes even tougher to composite dual‐atom metals together. Herein, a continuous‐flow solution plasma (CSP) method is developed, which utilizes high‐flux hydrated electrons, hydrogen radicals, and enhanced metal–support interaction, to achieve over 97% capture efficiency of metal precursors to fabricate CeO2‐based single‐atom Au, Rh, Pd, Ru, and Pt in only 0.03‐s residence time. Further, a programmed CSP synthesis of Au1Rh1/CeO2 and Au1Pd1/CeO2 dual‐atom catalysts is demonstrated. Under Xe lamp irradiation, Au1Rh1/CeO2 breaks room temperature constraints in CO conversion for the water–gas shift reaction with a T50 (the temperature at which 50% CO conversion occurs) of 298 K. The innovative CSP technology provides an atom‐economic approach to the continuous production of SACs using clean electricity without any additional reducing agent, paving the way for the programmed and green synthesis of SACs for industrial catalysis, energy conversion, and environment remedy applications.

Enhancing the mechanical properties of wire arc directed energy deposition Al–Zn–Mg–Cu aluminum alloy through cyclic deep cryogenic treatment

In this paper, the effects of cyclic deep cryogenic treatment (CDCT) on the mechanical properties and the precipitated phases evolution of 7B55 aluminum alloy produced by wire arc directed energy deposition (WA-DED) were systematically investigated. The findings revealed that, under both T6 and CDCT conditions, the microstructure of the 7B55 aluminum alloy exhibited fine-equiaxed grains. Under the T6 condition, the precipitated phases within the grains were primarily composed of clustered GP zones and η′ phases. Meanwhile, the η phases were continuously distributed along the grain boundaries. Upon subjecting the material to three cycles of CDCT, a noticeable reduction in the number of GP zones within the grains was observed. Simultaneously, there was a substantial increase in the number of η′ phases, accompanied by the occurrence of dislocation lines. The distribution of η phases along the grain boundary transitioned to an interrupted pattern. Under the CDCT-Cycle 3 (CDCT-C3) condition, the ultimate tensile strength (UTS), yield strength (YS), and elongation (EL) achieved 658.6 ± 4.5 MPa, 624.2 ± 5.2 MPa, and 8.42 ± 0.18 %, respectively. However, with the progression to four cycles of CDCT, the GP zones within the grains disappeared and the number of η′ phases started to decrease with the formation of a large number of η phases. The η phase along the grain boundary continuously grew by merging and absorbing solute atoms from the Al matrix near the grain boundaries. This led to the formation of coarsen and interrupted η phases and the Precipitate-Free Zone (PFZ) along the grain boundaries. Subsequently, the mechanical properties experienced a substantial decrease after the CDCT-Cycle 4 (CDCT-C4).

Microstructure characterization and age hardening response of Mg-8Sn-2Al alloy with Bi, Ag addition

The effects of Bi and Ag addition on the microstructure and age hardening response of Mg-8Sn-2Al alloy were investigated in this study. The Mg2Sn phase distributed along grain boundaries was observed in as-cast Mg-8Sn-2Al alloys and disappeared after solution treatment due to the Sn dissolution into ɑ-Mg matrix. However, a majority of Mg2Sn phase disappeared and few Mg2Sn particles still existed in the solid solutioned Mg-8Sn-2Al alloys containing Bi element. Mg2Sn precipitates formed in all peak-aged alloys. And Al, Bi and Ag elements are enriched in the areas of lath-shaped and spherical Mg2Sn precipitates in peak-aged Mg-8Sn-2Al-1.5Bi-1Ag alloy. Bi and Ag elements can act as heterogeneous nucleation sites and restrict the growth of precipitates to improve the age hardening response of Mg-8Sn-2Al alloy. Meanwhile, the undissolved Mg3Bi2 phase or early precipitated Mg3Bi2 phase during ageing treatment probably change the morphology and elements distribution of Mg2Sn precipitates. In addition, Ag and Bi atoms play a role on grain refinement and solution strengthening in Mg-8Sn-2Al alloy. Therefore, the micro-hardness value of peak-aged Mg-8Sn-2Al-1.5Bi-1Ag alloy increased to 69.9 HV from 47.4 HV of solid solutioned Mg-8Sn-2Al alloy. The precipitation behaviour, refined second phase, grain refinement and solute atoms synergistically made contributions to the strength improvement. The roles of Bi and Ag elements on improving age hardening response and precipitates characteristics are discussed in this study, which provides an important reference for exploring aged Mg-Sn alloys.

Non-equilibrium solidification of undercooled Inconel 718

The non-equilibrium solidification of undercooled Inconel 718 melts has been studied in situ on electromagnetically levitated samples by using high-speed video recording and optical pyrometry. Microstructure and phase constitution of solidified samples were analysed by scanning electron microscopy, energy-dispersive X-ray spectroscopy, electron backscatter diffraction and high-energy X-ray diffraction. Due to containerless sample processing experimental data on phase formation, γ-dendrite growth, and microstructural evolution in Inconel 718 were obtained over a wide range of undercooling ΔT between 20 and 289 K. It has been found that the dendrite growth velocity, extracted from high-speed video records, rises exponentially with increasing undercooling at first. At an undercooling of about 150 K, growth slows down drastically. Furthermore, morphology and size of γ-matrix grains essentially depend on ΔT. They alter from coarse equiaxed to coarse columnar at an undercooling of about 60 K, get refined and equiaxed at undercoolings above 150 K, and become larger and elongated again upon reaching an undercooling of about 250 K. The deviation from equilibrium and trapping of solute atoms in γ-dendrites result in a notable reduction of NbC and Laves fraction, the latter apparently disappearing at ΔT larger than 150 K.

Overcoming the strength-ductility trade-off dilemma in austenitic lightweight steel via stepwise controllable intragranular dual nanoprecipitation

The strength-ductility trade-off is an inevitable scenario in precipitation-hardened austenitic lightweight steels. The reduction in ductility is due to the shearing of κ′-carbides by dislocations, resulting in limited work hardening capability. Conversely, non-shearable B2 particles can effectively improve the work hardening rate. However, these B2 particles tend to precipitate along grain boundaries and coarsen due to their incompatibility with the austenite matrix, resulting in negligible strengthening effect or even brittleness. We propose a stepwise controllable dual nanoprecipitation strategy to overcome the strength-ductility trade-off. To implement this strategy, we develop a manufacturing process that includes a high-temperature annealing treatment and a three-step aging process (700 °C/15min + 900 °C/15min + 450 °C/1 h). The higher annealing temperature increases the supersaturation of solute atoms in the austenite matrix, which improves the chemical driving force for the precipitation of intragranular B2 particles during aging at 900 °C. Additionally, the coarsened κ′-carbides (30–35 nm) formed during aging at 700 °C provide heterogeneous nucleation sites for the formation of intragranular B2 particles. Further aging at 450 °C promotes the precipitation of nano-sized κ′-carbides (5 nm) within the austenite matrix. The dual nanoparticles provide a significant precipitation strengthening contribution of 400 MPa without sacrificing ductility. The multiple deformation mechanisms of nanoscale “planar slip and Orowan bowing” provide an efficient source of work hardening capability. The present work aims to overcome the strength-ductility trade-off in austenitic lightweight steels by tailoring the precipitation process, which may provide insight into producing high-performance lightweight steels.

Study of the thermodynamic inconsistency of the potential of mean force calculated using the integral equation theory of molecular liquids

In this study, we investigated thermodynamic inconsistency in the potential of mean force (PMF) calculated using the Ornstein-Zernike (OZ), one-dimensional reference interaction site model (1D-RISM), and three-dimensional OZ (3D-OZ) theories. Two methods were used to obtain the PMF: converting the radial distribution function (RDF) into the PMF, and utilizing the solvation free energy (SFE) of the diatomic solute molecule with an added direct interaction between the two solute atoms. Both for the Lennard-Jones (LJ) and Coulomb systems, the hypernetted chain (HNC) closure showed the best performance among the closure relationships tested in this study. However, the performance of the HNC was not perfect and exhibited significant inconsistency in the PMF. The Kovalenko–Hirata and Kobryn–Gusarov–Kovalenko closures were also tested, with fair results when combined with the 1D-RISM equation but poor results when combined with the 3D-OZ equation. The Verlet-modified (VM) closure was found to be inapplicable to Coulomb systems. In contrast, the modified HNC (MHNC) closure showed relatively good results at high temperatures. Furthermore, we modified the Martynov–Sarkisov (MS) closure for Coulomb systems, resulting in a modified MS closure that yields relatively accurate PMF results. We also discuss the behavior of the SFE for Coulomb systems obtained from the 1D-RISM theory, a thorough analysis of both the RDF and the integrand in the Kirkwood charging formula.

Interaction of C, N and O interstitial solute atoms with screw dislocations in HfNbTaTiZr high entropy alloy

Using density functional theory (DFT), we characterize the interaction of screw dislocations with interstitial impurities, in particular oxygen, nitrogen and carbon, in the HfNbTaTiZr alloy of body-centered cubic (BCC) structure. Considering different configurations representative of the disordered solid solution alloy, we evidence a noticeable core spreading of the screw dislocation whether with or without solute, associated with a wide range in dislocation-solute interaction energy, which is found to be mainly attractive for the three investigated impurities. This interaction energy is shown to be highly influenced by the type of the metal atoms in the neighbourhood of the solute. Notably the more BCC elements are present around the solute (either Nb or Ta), the more repulsive this interaction is.