Solute atmosphere around an edge dislocation in Al-based ternary alloys

We evaluated the solute atmosphere around a moving dislocation and the dragging stress due to the atmosphere in binary and ternary Al-based alloys in terms of a chemical potential gradient by modifying the method proposed by Yoshinaga et al. In ternary alloys, we analyzed formation of the complex solute atmosphere around a straight edge dislocation and the dragging stress in terms of a misfit parameter of a solute element (positive or negative) and an interaction parameter between solute elements (attractive or repulsive).     

Dislocation induced line-broadening in cold-worked Pb-Bi binary alloy system in the α-phase using X-ray powder profile analysis

An X-ray diffraction line profile analysis on cold-worked Pb-Bi alloys in the α- phase is presented. The anisotropic broadening of X-ray diffraction lines has been interpreted in terms of dislocation induced strain broadening only. Dislocations are found to be predominantly of screw type from a modified Williamson–Hall analysis. Due to the almost symmetric shape of the X-ray line profiles, a restrictedly random dislocation distribution was assumed in the modified Warren–Averbach analysis. The dislocation densities are of the order of 10¹¹ cm⁻² and decrease for annealed specimen. The dislocation arrangement parameter (μ) decreases from more than 1.0 for cold-worked samples to less than 1.0 for annealed samples. This indicates a rather short ranged strain fields in annealed samples compared to cold-worked samples. Relative change in the dislocation arrangement parameter increases with solute concentration.     

Dislocation motion in the presence of diffusing solutes: a computer simulation study

A discrete lattice, kinetic Monte Carlo model is developed to simulate the motion of an edge dislocation in the presence of interacting, diffusing solute atoms that have a misfit with respect to the matrix. The simulation self-consistently determines the solute concentration profile (in two spatial dimensions), as well as the associated dislocation velocity. The solute segregation profile around the moving dislocation is characterized at low velocity by a condensed solute cloud near and on one side of the dislocation core, a region depleted of solute on the opposite side and a diffuse solute (Cottrell) atmosphere further from the core. At high velocity, no condensed solute cloud forms. The relation between the dislocation velocity and the applied stress shows a low-velocity, solute drag branch and a high-velocity branch, typified by no solute cloud but with occasional solute trapping. At intermediate velocities, the dislocation stochastically jumps between these two branches.     

Solute strengthening from first principles and application to aluminum alloys

Alloys containing substitutional solutes exhibit strengthening due to favorable solute fluctuations within the alloy that hinder dislocation motion. Here, a quantitative, parameter-free model to predict the flow stress as a function of temperature and strain rate of such alloys is presented. The model builds on analytic concepts developed by Labusch but introduces key innovations rectifying shortcomings of previous models. To accurately describe the solute/dislocation interaction energies in and around the dislocation core, density functional theory and a flexible-boundary-condition method are used. The model then predicts the zero temperature flow stress, the energy barrier for dislocation motion, and thus the finite temperature flow stresses. The model is used to predict the flow stresses of various Al alloys. Excellent results are obtained for Al–Mg and Al–Mn. Al–Fe with ppm levels of Fe is not predicted well but, using experimental results for Fe, results for the quasi-binary Al–Cr–(Fe) and Al–Cu–(Fe) alloys agree well with experiments. The model is also consistent with the “stress equivalency” postulate of Basinski. This parameter-free model using first-principles input thus provides a basis for achieving the long-sought goal of computational design of alloys, within the context of solute-strengthening mechanisms.     

Room-temperature solid solution softening in Fe-V binary system

Molecular dynamics simulations of the glide of an edge dislocation in the bcc matrix of Fe-V alloys were performed to investigate the room-temperature solid solution softening by V atoms. For this purpose, the glide velocity of an edge dislocation was calculated as a function of V concentration under the shear stresses of 100-300MPa using the Fe-V cross-potential constructed newly in the present study. Whereas the solid solution hardening occurred as the V concentration is less than 0.13 at% or more than 0.5 at%, the room-temperature solid solution softening was observed in Fe-(0.13-0.5) at% V alloys. The solid solution softening occurring in Fe-(0.13-0.5) at% V alloys was caused by the accelerated growth velocity of kinks by solute V atoms. The increase in kink velocity happened when the interatomic distance between solute V atoms was similar to the length of dislocation kinks.     

A study of the influence of Mn and Ni on the kinetics of the proeutectoid ferrite reaction in steels

The kinetic transition between partitioned and unpartitioned growth of proeutectoid ferrite has been studied for high-purity Fe–C–Mn and Fe–C–Ni alloys, and for temperatures just above the eutectoid. These results (and certain results of previous investigations) are compared with computed paraequilibrium and equilibrium ternary phase diagrams, and it is shown that the transition occurs well within the paraequilibrium two-phase regions, but significantly outside the limit predicted by the local equilibrium analysis of the ternary precipitation reaction. These observations are interpreted in terms of solute drag theory. It is inferred that both Mn and Ni exert a drag on the moving ferrite/austenite interfaces, and that this drag force is due to substitutional solute diffusion within the moving interface. The equilibrium binding energies of each of the substitutional solutes to the boundary are expected to be of order RT.     

LOW-FREQUENCY "AMPLITUDE PEAKS" IN THE INTERNAL FRICTION ASSOCIATED WITH THE INTERACTION OF SUBSTITUTIONAL SOLUTE ATOMS WITH DISLOCA-TIONS IN ALUMINIUM ALLOYS

在稀铝铜和稀铝镁合金中于室温附近观测到低频振幅内耗峰和温度内耗峰,所用的最大表面应变振幅为5×10~(-7)—1×10~(-3).这种反常内耗表现出一种特殊的时效行为.与此同时,还观测到时效内耗峰,曾在下列三种条件下反复观测到这些内耗峰: (1)高度冷加工的试样退火到刚在完全再结晶以前;(2)充分退火的试样冷加工到刚超过屈服;(3)充分退火的试样经高温淬火.业已证明,观测到的这些内耗峰是由溶质原子(Al中的Cu或Mg)与冷加工或淬火产生的“新鲜”可动位错之间的交互作用引起的.这种新鲜位错含有大量弯结.提出了一种改进了的位错气团模型,认为当位错弯结在外加交变应力作用下作往复沿边运动的过程中,溶质原子被拖着在两个势垒之间来回移动.     

First-principles prediction of yield stress for basal slip in Mg–Al alloys

The finite-temperature yield stress of Mg–Al alloys undergoing basal slip is investigated using a recently developed parameter-free solute strengthening model. The model takes input from first-principles calculations of the dislocation/solute interaction energy and evaluates the solute strengthening due to fluctuations in solute concentration, taking into account the correlation of these fluctuations as a function of dislocation roughening. Due to the wide partial separation of the Mg basal edge dislocation, a smaller roughening is required to decorrelate the solute fluctuations in the partials compared to that required to decorrelate the fluctuations in the “far field”. As a consequence, the dislocation has two stable configurations in the random field of solutes, corresponding to “short-range” and “long-range” solute interactions. The configuration of the “short-range” interactions control the strength at low temperatures or high stress, whereas the “long-range” interactions control the strength at higher temperatures or lower stresses. Predictions of the model are in very good agreement with experiments over a wide range of solute concentrations and temperature. In particular, the model naturally predicts the “plateau stress” observed at high temperatures, which is attributable to the “long-range” solute interactions.     

Theory of the nonlinear internal friction associated with bulk diffusion of solute atoms around dislocations in Al–Mg alloys

In this paper the nonlinear (amplitude-dependent) internal friction (P₃ peak) in cold-worked Al–Mg alloys is theoretically studied by solving the bulk diffusion equations of the solute atoms (Mg atoms) under the action of dislocation drag. The results in the case of a constant external stress show that the bow-out distance of the dislocation has an exponential relation with time, which can be well described by an exponential creep function with a Gaussian distribution in τ. With the increasing strain amplitude, the relaxation strength Δ and relaxation time τ decrease, while the distribution parameter increases. Both activation energy H and pre-exponential factor τ₀ deduced from τ through Arrhenius relation are dependent on strain amplitude.     

Nanoindentation study on solid solution softening of Fe-rich Fe2Nb Laves phase by Ni in Fe–Nb–Ni ternary alloys

In an attempt to understand the solid solution softening by Ni of an Fe-rich Fe₂Nb Laves phase that is in equilibrium with γ-Fe, we have examined the defect structure in the Laves phase in Fe–Nb–Ni alloys by transmission electron microscopy, and its hardness as a function of orientation and solute (Ni) content by nanoindentation. The binary Fe-rich Laves phase and the ternary Laves phases with lower Ni content (18%) exhibit a featureless morphology with low dislocation density, whereas the ternary Laves phase with higher Ni content (33%) includes basal planar faults extending to several micrometers, producing a local change in the stacking sequence of the three 3⁶-nets (triple layer) of the C14 structure. The hardness of the binary and the ternary Laves phases with 18% Ni in solution is almost constant and independent of orientation, whereas the ternary Laves phase with 33% Ni in solution exhibits a substantial dependence of hardness on orientation and this dependence appears associated with the ease of basal slips evidenced by slip traces around nanoindents. The relative ease in activating basal slip in the presence of a large amount of Ni in solution is thought to be the dominant contributor to the observed solid solution softening.     

Solute and dislocation junction interactions

In this study, the role of solute segregation on the strength and the evolution behavior of dislocation junctions is studied by utilizing kinetic Monte Carlo and three-dimensional dislocation dynamics simulations. The different solute concentrations and the character of the junctions are all included in the simulations in an effort to make a parametric investigation. The results indicate that the solutes have a profound effect on the strength of the junctions. Solute segregation can lead to both strengthening and weakening behavior, depending upon the evolution of the dislocation junctions. The local solute concentration seems to be the more relevant parameter to characterizing the solute and dislocation interactions, due to the short-range stress field of solutes; and its bounds are set by the unconstrained volume dilatation.     

Effect of substitutational elements on plastic deformation behaviour of NbSi2-based silicide single crystals with C40 structure

Plastic deformation behaviour of binary NbSi₂ and ternary NbSi₂-based silicide single crystals with the C40 structure was examined at high temperatures and compared with the results in MoSi₂ with the C11_b and TiSi₂ with the C54 structure, focusing on anomalous strengthening. Addition of substitutional alloying elements affected the anomalous strengthening in NbSi₂-based silicides; addition of Mo and W strongly affected the anomalous strengthening, while Ti and Al additions showed little effect. The substitutional impurity atoms may gather and form a dragging atmosphere around 1/3〈21̄1̄0] moving dislocations containing a superlattice intrinsic stacking fault in NbSi₂-based silicides, resulting in anomalous stress increase. The effect of the dragging atmosphere and diffusion path of additional elements on an anomalous strengthening is discussed, focusing on the atomic arrangement on slip planes and the phase stability of the C40 structure with respect to the C11_b and C54 structures.     

Structure and phase transformations in TiNiFe ternary alloys subjected to plastic deformation by high-pressure torsion and subsequent heat treatment

The results of a complex study of ternary TiNiFe alloys with a low-temperature shape-memory effect subjected to megaplastic deformation by high-pressure torsion (HPT) with subsequent heat treatment are presented. Investigations have been performed using X-ray diffraction, transmission and scanning electron microscopy, and measurements of electrical properties. It has been established that, at moderate degrees of reduction, the plastic deformation in the Ti₅₀Ni₄₉Fe₁ alloy induces a B2 ? B19′ thermoelastic martensitic transformation and the formation of a developed banded dislocation and twin structure in the B19′ martensite; in the Ti₅₀Ni₄₇Fe₃ alloy, a mainly analogous dislocation substructure is formed, but in the B2 austenite. The megaplastic deformation by HPT at room temperature leads to the amorphization of the Ti50Ni49Fe1 alloy and to the high-angle nanofragmentation of the Ti50Ni47Fe3 alloy. Specific features of the evolution of the structure and martensitic transformations in the TiNiFe ternary alloys after plastic deformation and heat treatment have been established. It has been found that the heat treatment of both alloys after HPT at temperatures of 553–773 K results in the formation of a nanocrystalline or mixed nano-submicro-crystalline structure.     

On the effect of hydrogen on plastic instabilities in metals

Experimental observations and theoretical calculations have demonstrated that hydrogen solute atoms increase the dislocation mobility in metals and alloys, thus promoting highly localized plastic processes which eventually lead to localized ductile rupture. While the underlying mechanism for hydrogen-enhanced dislocation mobility is well understood, little is known on how this mechanism acting at the microscale can lead to macroscopic plastic instability. In this paper, a theoretical investigation is carried out in a specimen under plane-strain tension in an effort to understand how hydrogen-induced softening and lattice dilatation at the microscale can lead to macroscopic i) shear localization (shear banding bifurcation) or ii) necking bifurcation.     

Stoichiometric effect on the strain-rate dependence of flow stress in binary Ni3Al

The strain-rate dependence of the flow stress has been studied by strain-rate change test in binary, stoichiometric and Ni-rich Ni₃Al single crystals at 400 K. In the stoichiometric alloys, the flow stress has been found to be independent of strain rate for all the orientations, though it changes temporarily after the strain-rate change. This stain-rate independence of the flow stress was also confirmed in Ni–24.5 at.% Al and Ni–24 at.% Al. The CRSSs of these Ni-rich alloys were the same as the stoichiometric one. These results indicate that the anti-site defects in the off-stoichiometric alloy have very little effect on the dislocation motion. It is also suggested that the small strain-rate dependence reported in ternary alloys may be due to the ternary elements. In binary Ni₃Al without these elements, the flow stress is considered to be controlled by an athermal process such as dislocation multiplication.     

The effect of carbon and silicon additions on the creep properties of Fe-40 at. % Al type alloys at elevated temperatures

The mechanical properties of Fe–Al alloys with 39–43 at.% Al, C contents up to 4.9 at.% and Si contents up to 1.2 at.% were studied using uniaxial compressive creep at temperatures from 600 to 800 °C. The stress and temperature dependence of the creep rate were determined by stepwise loading and evaluated in terms of the stress exponent n and the activation energy Q, respectively. These quantities can be interpreted by means of dislocation motion controlled by climb and by the presence of second-phase particles. The dislocation motion is obstructed by precipitates of carbide κ in alloys E and F and by particles of Al₄C₃ in the alloys with either higher content of C or of C and Si. Both carbon and silicon improved the creep resistance, but the effect of silicon was more significant.     

Recovery,recrystallization, grain growth and phase stability of a family of FCC-structured multi-component equiatomic solid solution alloys

The equiatomic high-entropy alloy FeNiCoCrMn is known to crystallize as a single phase with the face-centered cubic (FCC) crystal structure. To better understand this quinary solid solution alloy, we investigate various binary, ternary and quaternary alloys made from its constituent elements. Our goals are twofold: (i) to investigate which of these lower order systems also form solid solution alloys consisting of a single FCC phase, and (ii) to characterize their phase stability and recovery, recrystallization, and grain growth behaviors. X-ray diffraction (XRD) and scanning electron microscopy with backscattered electron images showed that three of the five possible quaternaries (FeNiCoCr, FeNiCoMn and NiCoCrMn), five of the ten possible ternaries (FeNiCo, FeNiCr, FeNiMn, NiCoCr, and NiCoMn), and two of the ten possible binaries (FeNi and NiCo) were single-phase FCC solid solutions in the cast and homogenized condition, whereas the others either had different crystal structures or were multi-phase. The single-phase FCC quaternary, FeNiCoCr, along with its equiatomic ternary and binary subsidiaries, were selected for further investigations of phase stability and the thermomechanical processing needed to obtain equiaxed grain structures. Only four of these subsidiary alloys—two binaries (FeNi and NiCo) and two ternaries (FeNiCo and NiCoCr)—were found to be single-phase FCC after rolling at room temperature followed by annealing for 1 h at temperatures of 300–1100 °C. Pure Ni, which is FCC and one of the constituents of the quinary high-entropy alloy (FeNiCoCrMn), was also investigated for comparison with the higher order alloys. Among the materials investigated after thermomechanical processing (FeNiCoCr, FeNiCo, NiCoCr, FeNi, NiCo, and Ni), FeNiCo and Ni showed abnormal grain growth at relatively low annealing temperatures, while the other four showed normal grain growth behavior. The grain growth exponents for all five of the equiatomic alloys were found to be ∼0.25 (compared to ∼0.5 for unalloyed Ni), suggesting that solute drag may control grain growth in the alloys. For all five alloys, as well as for pure Ni, microhardness increases as the grain size decreases in a Hall-Petch type way. The ternary alloy NiCoCr was the hardest of the alloys investigated in this study, even when compared to the quaternary FeNiCoCr alloy. This suggests that solute hardening in equiatomic alloys depends not just on the number of alloying elements but also their type.     

YIELD STRENGTH OF METALS AND ALLOYS

本文讨论了有关金属及合金屈服强度的若干问题,包括: 1.滑移和位错; 2.位错的增殖; 3.范性流变速率方程; 4.派尔斯(Peierls)应力; 5.温度对屈服强度的影响; 6.溶质原子的影响。     

Effects of Nb and Al on the microstructures and mechanical properties of high Nb containing TiAl base alloys

The influence of Nb and Al contents on the microstructure and yield strength of high Nb containing TiAl base alloys was investigated. The experimental results show that the yield strength at 900 °C of the alloys with the same type of microstructure, such as fully lamellar (FL), nearly lamellar (NL) and degraded fully lamellar (DFL), increases with increasing Nb content and decreasing Al content in the composition range of 0–10 at.% Nb and 44–49 at.% Al. DFL is the degraded form of FL microstructure after exposure at 1050 °C for 30 h. It is shown that the Nb addition in the alloys increases the value of the σ₀ term in the Hall–Petch relation of yield stress vs. lamellar spacing. This result has been related to TEM observations of dislocation structure in deformed specimens. The observations indicated that high level of Nb solute in the γ-TiAl matrix leads to a high critical resolved shear stress (CRSS) of dislocation loops. High Nb addition also reduces the degradation rate of FL microstructure after exposure at 1050 °C for 30 h. Both effects of high Nb addition are related to the change of the directionality of Ti–Ti (Nb) and Nb–Al bonds in the lattice. The decrease in Al content results in an increase in the volume fraction of α₂ phase, which leads to a decrease in the lamellar spacing of the lamellar structure. The high temperature strength of the alloys is determined by the lamellar spacing λ through the Hall–Petch equation k_λλ^−1/2.     

Dislocation depinning from ordered nanophases in a model fcc crystal: From cutting mechanism to Orowan looping

Based on the embedded atom method we have studied dislocation bypassing of nanophases in a model for face-centered cubic (fcc) alloys. A system in which either a purely screw or a purely edge dislocation crosses Ni₃Al nanophases with L1₂ order in a Ni single crystal is employed as an archetypal case for strengthened fcc alloys. For a radius up to 1.5 nm the dislocations cut the nanophase and the depinning stress is found to be proportional to the area of the nanophase. For larger radii, the dislocation circumvents the nanophase and leaves an Orowan loop around the inclusion with the depinning stress increasing as the logarithm of the inclusion radius, in agreement with predictions drawn from an analytical theory proposed by Bacon, Kocks and Scattergood (Phil Mag 1973; 28: 1241). The theory is extended to determine the logarithm pre-factor for the looping regime and the depinning stress needed to cut through the nanophase. The theoretical predictions are then compared to atomistic simulations.