Effect of alloying elements on room temperature tensile ductility in magnesium alloys

The impact of alloying elements on the room temperature tensile behaviour was investigated for a wide range of strain rates using eight types of extruded Mg-0.3 at.% X (X = Ag, Al, Li, Mn, Pb, Sn, Y and Zn) binary alloys with an average grain size of 2–3 μm. The solid solution alloying element affected not only tensile plasticity but also rate-controlling mechanism for these fine-grained magnesium alloys. Most of the alloys exhibited an elongation-to-failure of 20–50% , while the alloys with a high m-value exhibited large tensile plasticity, such as an elongation-to-failure of 140% in a strain rate of 1 × 10^?5 s^?1 for the Mg–Mn alloy. This elongation-to-failure is more than two times larger than that for pure magnesium. This is due to the major contribution of grain boundary sliding (GBS) on the deformation. Microstructural observations reveal that grain boundary segregation, which is likely to affect gain boundary energy, plays a role in the prevention or enhancement of GBS. The present results are clearly expected to open doors to the development of magnesium alloys with good secondary formability at room temperature through the control of alloying elements.     

Grain boundary relaxation in fine-grained magnesium solid solutions

Grain boundary relaxation at elevated temperatures in fine-grained pure magnesium and Mg–Al solid solutions was investigated by measuring damping capacity at low frequencies. A sharp increase in damping capacity caused by grain boundary relaxation was observed at above a certain temperature. The onset temperature depended on aluminum content; the onset temperature increased with aluminum content. It was demonstrated that aluminum was effective in suppressing grain boundary relaxation in magnesium alloys. However, additional measurement of the damping capacity of a dilute Mg–Y alloy revealed that yttrium was more effective in suppressing grain boundary relaxation.     

Solute-second phase interaction for Mg,Ag and Zn in Al–Li alloys

ABSTRACT

Early experiments have shown the promises of alloying with Mg?+?Ag (or Mg?+?Zn) on the performance of Al–Li alloys. To better understand the interaction between solutes and second phases in Al–Li alloys, Mg, Ag and Zn segregation to Al/δ′ interface as well as their substitution in δ′ bulk were investigated at the atomic level using first principles modelling and calculations. Energetics results and local charge analyses revealed that Mg, Ag and Zn can segregate to Al/δ′ interface by different preference, but have no significant influence on the interface adhesion. Ag and Zn can also dissolve into δ′ bulk, and enhance the local metallic bonding with nearest-neighboring Al atoms. Based on these results, a multi-fold benefit mechanism was suggested for the combined alloying with Mg?+?Ag (or Mg?+?Zn) in Al–Li alloys.     

Effect of solute atoms on fracture toughness in dilute magnesium alloys

The effect of alloying elements on the toughness and the fracture behaviour was investigated on seven kinds of Mg-0.3?at.% X (X?=?Ag, Al, Ca, Pb, Sn, Y and Zn) alloys with a grain size of 3–5?μm. The fracture toughness and fracture behaviour in magnesium alloys were closely related to the segregation energy. The Mg–Al and –Zn alloys that had small segregation energy showed high toughness and ductile fracture in most regions, while the Mg–Ca alloy with large segregation energy exhibited low toughness and intergranular fracture. These different tendencies resulted from solute segregation at grain boundaries (GBs). The change in the lattice parameter ratio was the influential material parameter regardless of whether the GB embrittlement was for enhancement or suppression.     

Bi，Sb合金化对AZ91镁合金组织、性能影响机理研究

利用大角重位点阵模型建立了AZ91镁合金α相［0001］对称倾斜晶界原子结构模型，应用实空间的连分数方法计算了Mg合金的总结构能，合金元素引起的环境敏感镶嵌能及原子间相互作用能，讨论了主要合金元素Al及Bi，Sb在AZ91中的合金化行为.计算结果表明，Al，Bi，Sb固溶于α相内或晶界区使总结构能都降低，起到固溶强化作用；合金元素在AZ91α相内趋于均匀分布，在晶界区易占位于三角椎上部.AZ91镁合金中加入Bi或Sb时，Bi或Sb比Al容易偏聚于晶界，从而抑制了Al在晶界的偏聚，促进基体中连续的Mg₁₇Al₁₂相的析出，提高AZ91合金室温性能； AZ91合金中(α相内和晶界区)主要合金元素Al和微加元素Bi，Sb都能够形成有序相Mg₁₇Al₁₂，Mg₃Bi₂或Mg₃Sb₂，且在晶界区形成的量大.Bi，Sb加入AZ91合金中，由于Bi，Sb抑制Al在晶界的偏聚，晶界区主要析出相为Mg₃Bi₂或Mg₃Sb₂，提高镁合金高温性能. 关键词： 电子理论 合金化 晶界偏聚 镁合组织与性能     

Analysis of slip activity and heterogeneous deformation in tension and tension-creep of Ti–5Al–2.5Sn (wt %) using in-situ SEM experiments

The deformation behavior of a Ti–5Al–2.5Sn (wt %) near-α alloy was investigated during in-situ deformation inside a scanning electron microscope. Tensile experiments were performed at 296?K and 728?K (≈0.4?T _m), while tensile-creep experiments were performed at 728?K and 763?K. Active deformation systems were identified using electron backscattered diffraction-based slip trace analysis. Both basal and prismatic slip systems were active during the tensile experiments. Basal slip was observed for grains clustered around high Schmid factor orientations, while prismatic slip exhibited less dependence on the crystallographic orientation. The tension-creep experiments revealed less slip but more development of grain boundary ledges than in the higher strain rate tensile experiments. Some of the grain boundary ledges evolved into grain boundary cracks, and grain boundaries oriented nearly perpendicular to the tensile axis formed ledges earlier in the deformation process. Grain boundaries with high misorientations also tended to form ledges earlier than those with lower misorientations. Most of the grain boundary cracks formed in association with grains displaying hard orientations, where the c-axis was nearly perpendicular to the tensile direction. For the tension-creep experiments, pronounced basal slip was observed in the lower-stress creep regime and the activity of prismatic slip increased with increasing creep stress and temperature.     

Bi，Sb及稀土元素对AZ91镁合金高温性能影响机理研究

利用大角重位点阵概念建立了AZ91镁合金基体(α相)和镁［0001］对称倾斜晶界原子结构模型,应用实空间的连分数方法计算了体系的结构能,环境敏感镶嵌能以及相互作用能.结果发现,在镁合金基体中,Al和稀土形成团簇时比较稳定,Al,Bi或Sb与稀土形成团簇时不稳定.Bi或Sb和稀土元素同时存在于AZ91镁合金中时,一方面Bi或Sb将可与RE结合形成RE₂Bi(RE₂Sb)或RE-Bi(RE-Sb)化合物弥散分布于晶界,另一方面镁合金基体中会形成Al_{11关键词： 电子理论 晶界偏聚 合金元素 高温性能}     

Grain boundary interdiffusion in the case of concentration-dependent grain boundary diffusion coefficient

The grain boundary diffusion in a binary system which exhibits a grain boundary phase transition is considered in the framework of Fisher's model. The kinetic law of the growth of the grain boundary phase and the distribution of the diffusant near the grain boundary are calculated. The method of determining of the concentration dependence of the grain boundary diffusion coefficient from the experimentally measured penetration profiles of the diffusant along the grain boundaries is suggested. The experimental results on Zn diffusion in Fe(Si) bicrystals, Ni diffusion in Cu bicrystals and grain boundary grooving in Al in the presence of liquid In are discussed in light of the suggested model.     

Effect of Grain Boundary Segregation and Migration on Diffusion Profiles: Analysis and Experiments

In many experimental studies, curved penetration profiles are observed for grain boundary diffusion performed in the B kinetics regime in contrast to the shape expected from the solutions of the second Fick's equation. To explain these curvatures the effects of grain boundary structure, grain boundary migration, and grain boundary segregation have been successively proposed in the literature. Using previous data for Cu–Ag and Cu–Ni and new ones on Cu–Fe and Cu–Zn systems we will show how it is possible to separate all these possible contributions and how, knowing the true origin of the curvature, one can deduce much quantitative information impossible (or very difficult) to obtain by other techniques.     

Segregation of alloying atoms at a tilt symmetric grain boundary in tungsten and their strengthening and embrittling effects

We investigate the segregation behavior of alloying atoms （Sr, Th, In, Cd, Ag, Sc, Au, Zn, Cu, Mn, Cr, and Ti） near Z3 （ 111 ） [1]-0] tilt symmetric grain boundary （GB） in tungsten and their effects on the intergranular embrittlement by performing first-principles calculations. The calculated segregation energies suggest that Ag, Au, Cd, In, Sc, Sr, Th, and Ti prefer to occupy the site in the mirror plane of the GB, while Cu, Cr, Mn, and Zn intend to locate at the first layer nearby the GB core. The calculated strengthening energies predict Sr, Th, In, Cd, Ag, Sc, Au, Ti, and Zn act as embrittlers while Cu, Cr, and Mn act as cohesion enhancers. The correlation of the alloying atom＇s metal radius with strengthening energy is strong enough to predict the strengthening and embrittling behavior of alloying atoms; that is, the alloying atom with larger metal radius than W acts as an embrittler and the one with smaller metal radius acts as a cohesion enhancer.     

Internal friction in Al bicrystals with ⟨111⟩ tilt and twist grain boundaries

Internal friction measurements were performed on various ?111? tilt and twist grain boundaries in high-purity Al bicrystals. The temperature dependence of the grain boundary internal friction peak was determined, and the activation parameters of grain boundary relaxation were obtained. These parameters were found to change in a wide range depending on boundary geometry. The activation enthalpy of boundary relaxation and the pre-exponential factor of the relaxation time are related according to the compensation effect. The results are discussed in terms of the model of correlated relaxations. Bicrystals with vicinal Σ3 boundaries were observed to behave like single crystals, i.e. an internal friction peak did not appear. This evidences that both coherent and incoherent (60° ?111? tilt) twins possess a high mechanical resistance.     

Study of magnetoresistance and conductance of bicrystal grain boundary in La0.67Ba0.33MnO3 thin film

La_0.67Ba_0.33MnO₃ (LBMO) thin film is deposited on a 36.7°C SrTiO₃ bicrystal substrate using laser ablation technique. A microbridge is created across bicrystal grain boundary and its characteristics are compared with a microbridge on the LBMO film having no grain boundary. Presence of grain boundary exhibits substantial magnetoresistance ratio (MRR) in the low field and low temperature region. Bicrystal grain boundary contribution in MRR disappears at temperature T>175 K. At low temperature, I-V characteristic of the microbridge across bicrystal grain boundary is nonlinear. Analysis of temperature dependence of dynamic conductance-voltage characteristics of the bicrystal grain boundary indicates that at low temperatures (T<175 K) carrier transport across the grain boundary in LBMO film is dominated by inelastic tunneling via pairs of manganese atoms and tunneling through disordered oxides. At higher temperatures (T>175 K), magnetic scattering process is dominating. Decrease of bicrystal grain boundary contribution in magnetoresistance with the increase in temperature is due to enhanced spin-flip scattering process.     

Grain Boundary Diffusion and Linear and Non-Linear Segregation of Ag in Cu

Ag grain boundary (GB) diffusion was measured in the Cu-0.2at%Ag alloy in a wide temperature range from 473 to 970 K. The direct measurements of Ag GB diffusivity D ^alloy _gb under conditions of the Harrison C regime revealed that D ^alloy _gb is almost identical to D ^pure _gb determined earlier for Ag diffusion in high-purity Cu (Divinski, Lohmann, and Herzig, 2001). The penetration profiles determined in the Harrison B regime showed a complex, multi-stage shape. This diffusion behavior can be rationalized assuming that besides GBs significantly covered by segregated Ag atoms, some fraction of GBs remains almost free from Ag atoms in the studied temperature interval. The total amount of pure GBs drastically decreases with decreasing temperature. This hypothesis was proven by measurements of Ag GB diffusion in Cu near 5 bicrystals, which allowed us to analyze in detail the non-linear segregation of Ag in Cu GBs.     

Three-dimensional effects of microstructures on short fatigue crack growth in an Al–Li 8090 alloy

Al–Li 8090 alloy specimens were fatigued using a self-aligning four-point bend rig at R?=?0.1 and room temperature, in air, under constant maximum stress control. The crystallographic characteristics of fatigue crack initiation and early growth were studied using EBSD. It was found that the growth behaviour of a short crack were controlled by the twist (α) and tilt (β) components of crack plane deflection across each of the first 20 grain boundaries along the crack path, and that the α angle at the first grain boundary encountered by a micro-crack was critical in determining whether the crack could become propagating or non-propagating. In addition to the orientations of the two neighbouring grains, the tilt of their boundary could also affect α across the boundary. A minimum α-map for a vertical micro-crack was calculated to evaluate the resistance to crack growth into a neighbouring grain with a random orientation. Such an α-map is of value in alloy design against fatigue damage by optimising texture components in the alloys.     

Strain induced grain boundary premelting in bulk copper bicrystals

In bulk bicrystals strain induced grain boundary premelting (SIGBPM) occurs when heavy screw dislocation pileup can be held up to a certain high temperature, approximately 0.6T _M, where T _M is the melting point of bulk material in Kelvin. SIGBPM occurs at grain boundaries to which new twist component is added due to the rotation of both component crystals toward opposite direction about the axis perpendicular to the grain boundary plane. At the original grain boundary, grain boundary sliding takes place due to this relative rotation. In f.c.c. metals with relatively low stacking fault energies such as copper, nickel, brass(30Zn) and silver, dislocations dissociate into partials. Therefore high density tangled dislocations introduced during plastic deformation hardly loose. If these dislocations can be held to high temperatures, SIGBPM is promoted. Formation of static or dynamic recrystallized grains suppresses SIGBPM itself and the propagation of grain boundary cracks formed by SIGBPM.     

Grain boundary sliding during ambient-temperature creep in hexagonal close-packed metals

Even at ambient temperature or less, below their 0.2% proof stresses all hexagonal close-packed metals and alloys show creep behaviour because they have dislocation arrays lying on a single slip system with no tangled dislocation inside each grain. In this case, lattice dislocations move without obstacles and pile-up in front of a grain boundary. Then these dislocations must be accommodated at the grain boundary to continue creep deformation. Atomic force microscopy revealed the occurrence of grain boundary sliding (GBS) in the ambient-temperature creep region. Lattice rotation of 5° was observed near grain boundaries by electron backscatter diffraction pattern analyses. Because of an extra low apparent activation energy of 20 kJ/mol, conventional diffusion processes are not activated. To accommodate these piled-up dislocations without diffusion processes, lattice dislocations must be absorbed by grain boundaries through a slip-induced GBS mechanism.     

Elastic moduli of nanocrystalline binary Al alloys with Fe,Co, Ti,Mg and Pb alloying elements

The paper studies the elastic moduli of nanocrystalline (NC) Al and NC binary Al–X alloys (X is Fe, Co, Ti, Mg or Pb) by using molecular dynamics simulations. X atoms in the alloys are either segregated to grain boundaries (GBs) or distributed randomly as in disordered solid solution. At 0 K, the rigidity of the alloys increases with decrease in atomic radii of the alloying elements. An addition of Fe, Co or Ti to the NC Al leads to increase in the Young’s E and shear μ moduli, while an alloying with Pb decreases them. The elastic moduli of the alloys depend on a distribution of the alloying elements. The alloys with the random distribution of Fe or Ti demonstrate larger E and μ than those for the corresponding alloys with GB segregations, while the rigidity of the Al–Co alloy is higher for the case of the GB segregations. The moduli E and μ for polycrystalline aggregates of Al and Al–X alloys with randomly distributed X atoms are estimated based on the elastic constants of corresponding single-crystals according to the Voigt-Reuss-Hill approximation, which neglects the contribution of GBs to the rigidity. The results show that GBs in NC materials noticeably reduce their rigidity. Furthermore, the temperature dependence of μ for the NC Al–X alloys is analyzed. Only the Al–Co alloy with GB segregations shows the decrease in μ to the lowest extent in the temperature range of 0–600 K in comparison with the NC pure Al.     

Threshold stress for superplasticity in solid solution magnesium alloys

The effect of alloying elements on the threshold stress for superplasticity was investigated using two binary solid solutions, namely, Mg–Al and Mg–Y alloys. Both alloys exhibited superplasticity, and in spite of the absence of fine particles showed threshold-stress-like behavior. Different origins were suggested for the threshold-stress-like behavior after considering grain growth during deformation. The threshold-stress-like behavior in Mg–Al alloys originates from the effects of microstructural instability (grain-growth hardening). On the other hand, analysis of grain-boundary segregation suggested that the threshold-stress-like behavior in Mg–Y alloy originates from the segregation of yttrium in grain boundaries and its interaction with grain-boundary dislocations.     

Molecular dynamics simulation of the melting of a twist Σ=5 grain boundary

The existence of a possible grain boundary disordering transition of the melting type in a =5 (001) twist boundary of aluminium bicrystal below the melting temperature was investigated using a constant pressure molecular dynamics simulation. The calculated melting temperature T _cm of the bulk Al is about 960 K. The total internal energy, the structure factor, and the pair distribution function were calculated at different layers across the grain boundary. The mean atomic volume, the grain boundary energy, and the thermal expansion coefficients were also calculated using the same simulation method. This simulation also allows us to image the grain boundary structure at different temperatures. The equilibrium grain boundary structure at 300 K retains the periodicity of the coincident site lattice, so that the lowest energy structure corresponds to the coincident site arrangement of the two ideal crystals. With increasing temperature, the total internal energy of the atoms for both the perfect crystal and the grain boundary increases, as do the number of layers in the grain boundary. The grain boundary core exists and the perfect crystal structure still exists outside the grain boundary at 0.9375 T _cm. However, two atomic layers of the equilibrium grain boundary structure at 0.9375 T _cm lose the coincident site lattice periodicity and attain a structure with liquid-like disorder. Therefore, partial melting of the grain boundary has occurred at the temperature above 0.9375 T _cm which is in agreement with the experimental results.     

Effect of temperature-induced solute distribution on stacking fault energy in Mg–X(X = Li,Cu, Zn,Al, Y and Zr) solid solution: a first-principles study

Stacking fault energies (SFEs) of Mg solid solutions at different temperatures are very significant for studying dissociation of dislocation, plasticity deformation and other mechanical properties. Our present work starts with the investigation of interactions between basal stacking faults (SFs) and solutes (Li, Cu, Zn, Al, Y and Zr) using first-principles calculations. It is found that the interactions between basal SFs and solutes can be extended to several closed-packed layers. Combined with Fermi–Dirac function of solute distribution at each layer, the temperature dependence of SFE for Mg–X(X?=?Li, Cu, Zn, Al, Y and Zr) solid solution has been investigated. This study predicts correctly the increase tendency observed in experiment. Then the SFEs of Mg solid solutions at room temperature of 300?K are investigated at different solute concentrations; the obtained concentration dependence of SFEs is in agreement with the available experimental values. So the solute distribution under finite temperature due to the basal SF–solute interactions plays a critical role in the variation of SFEs of Mg solid solutions.