Cross-slip in face-centered cubic metals: a general Escaig stress-dependent activation energy line tension model

Cross-slip is a dislocation mechanism by which screw dislocations can change their glide plane. This thermally activated mechanism is an important mechanism in plasticity and understanding the energy barrier for cross-slip is essential to construct reliable cross-slip rules in dislocation models. In this work, we employ a line tension model for cross-slip of screw dislocations in face-centred cubic (FCC) metals in order to calculate the energy barrier under Escaig stresses. The analysis shows that the activation energy is proportional to the stacking fault energy, the unstressed dissociation width and a typical length for cross-slip along the dislocation line. Linearisation of the interaction forces between the partial dislocations yields that this typical length is related to the dislocation length that bows towards constriction during cross-slip. We show that the application of Escaig stresses on both the primary and the cross-slip planes varies the typical length for cross-slip and we propose a stress-dependent closed form expression for the activation energy for cross-slip in a large range of stresses. This analysis results in a stress-dependent activation volume, corresponding to the typical volume surrounding the stressed dislocation at constriction. The expression proposed here is shown to be in agreement with previous models, and to capture qualitatively the essentials found in atomistic simulations. The activation energy function can be easily implemented in dislocation dynamics simulations, owing to its simplicity and universality.     

Dislocation cross-slip in nanocrystalline fcc metals

Constant strain rate molecular dynamics simulations of nanocrystalline Al demonstrate that a significant amount of dislocations that have nucleated at the grain boundaries, exhibit cross-slip via the Fleischer mechanism as they propagate through the grain. The grain boundary structure is found to strongly influence when and where cross-slip occurs, allowing the dislocation to avoid local stress concentrations that otherwise can act as strong pinning sites for dislocation propagation.     

Dislocation slip behaviors in high-quality bulk GaN investigated by nanoindentation

The dislocation slip behaviors in GaN bulk crystal are investigated by nanoindentation, the dislocation distribution patterns formed around an impress are observed by cathodoluminescence (CL) and cross-sectional transmission electron microscope (TEM). Dislocation loops, vacancy luminescence, and cross-slips show hexagonal symmetry around the <11-20> and <1-100> direction on c-plane. It is found that the slip planes of dislocation in GaN crystal are dominated in {0001} basal plane and {10-11} pyramid plane. According to the dislocation intersection theory, we come up with the dislocation formation process and the related mechanisms are discussed.     

Transmission electron microscopy observation of a deformation twin in TWIP steel by an ex situ tensile test

The formation of deformation twins in twinning-induced plasticity steels was observed in transmission electron microscope by an ex situ tensile test. The twinning process initially includes formation of extended dislocations at primary slip plane, then cross-slip to a conjugate slip plane with dissociation of the leading partial into a stair-rod dislocation and an emitted partial, and finally un-faulting of the original faults and formation of Frank partials. Repetition of the operation of the process on successive conjugate planes results in the formation of deformation twins. The formation mechanism of deformation twins can thus be explained by improving the stair-rod cross-slip model.     

Slip band formation and mobile dislocation density generation in high rate deformation of single fcc crystals

The mechanisms for the nucleation, thickening, and growth of crystallographic slip bands from the sub-nanoscale to the microscale are studied using three-dimensional dislocation dynamics. In the simulations, a single fcc crystal is strained along the [111] direction at three different high strain rates: 10⁴, 10⁵, and 10⁶?s^??1. Dislocation inertia and drag are included and the simulations were conducted with and without cross-slip. With cross-slip, slip bands form parallel to active (111) planes as a result of double cross-slip onto fresh glide planes within localized regions of the crystal. In this manner, fine nanoscale slip bands nucleate throughout the crystal, and, with further straining, build up to larger bands by a proposed self-replicating mechanism. It is shown that slip bands are regions of concentrated glide, high dislocation multiplication rates, and high dislocation velocities. Cross-slip increases in activity proportionally with the product of the total dislocation density and the square root of the applied stress. Effects of cross-slip on work hardening are attributed to the role of cross-slip on mobile dislocation generation, rather than slip band formation. A new dislocation density evolution law is presented for high rates, which introduces the mobile density, a state variable that is missing in most constitutive laws.     

Cross-slip in face centred cubic metals: a general full stress-field dependent activation energy line-tension model

Cross-slip is a thermally activated process by which a screw dislocation changes its slip plane. Understanding and modelling the activation barrier of the cross-slip process as a free-energy barrier that depends on the stress conditions at the vicinity of the dislocation is crucial. In this work, we employ the line-tension model for the cross-slip of screw dislocations in face-centred cubic (FCC) metals in order to calculate the energy barrier when both Escaig stresses are applied on the primary and cross-slip planes and Schmid stress is applied on the cross-slip plane. We propose a closed-form expression for the activation energy for cross-slip in a large range of stresses, without any fitting parameters. The results of the proposed model are in good agreement with previous numerical results and atomistic simulations. We also show that, when Schmid stress is applied on the cross-slip plane, the energy barrier is decreased, and in particular, cross-slip can occur even when the Escaig stress in the primary plane is smaller than that on the cross-slip plane. The proposed closed-form expression for the activation energy can be easily implemented in dislocation dynamics simulations, owing to its simplicity and universality. This will allow cross-slip to be more accurately related to macroscopic plasticity.     

Temperature and velocity dependence of the mechanical properties of the intermetallic compound Ni3Al. I

The paper presents the results of theoretical and experimental studies of the deformation mechanism of alloy Ni₃Al, undertaken in order to elucidate the nature of the anomalous temperature dependence of the mechanical properties of that alloy. A study is made of the mechanisms of hardening which do not require diffusion migration of atoms for their occurrence; 1) indeterminacy of dislocation axis; 2) recombination and conservative sliding of jogs in superpartial dislocations (SPD); 3) cross-slip of SPD; 4) intersection of antiphased boundaries introduced by cubic slip; 5) work-hardening due to reactions between dislocations of cubic and octahedral planes. All these mechanisms are effective, even at room and lower temperatures, and could be responsible for the increase of the yield point with increase in the temperature of testing from –180 °C, as observed by Davies and Stoloff.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii Fizika, No. 10, pp. 39–45, October, 1971.     

Explicit incorporation of cross-slip in a dislocation density-based crystal plasticity model

We present a crystal plasticity model that incorporates cross-slip of screw dislocations explicitly based on dislocation densities. The residence plane of screw dislocations is determined based on a probability function defined by activation energy and activation volume of cross-slip. This enables the redistribution of screw-dislocations and dislocation density patterning due to the effect of stacking fault energy. The formulation is employed for explaining the cross-slip phenomenon in aluminium during uniaxial tensile deformation of ?100? single crystal and a single slip orientation of single crystal, and compare the results with experimental observations. The effect of cross-slip on the stress–strain evolution is seen using this explicit treatment of cross-slip.     

单晶铜纳米线屈服机理的原子模拟研究

采用分子静力学方法模拟了〈100〉单晶铜纳米线的拉伸变形过程,研究了纳米线屈服的机理. 结果表明：1） 纳米线初始屈服通过部分位错随机激活的{111}〈112〉孪生实现,后继屈服通过{111}〈112〉部分位错滑移实现;2） 纳米线变形初期不同滑移面上的部分位错在两面交线处相遇形成压杆位错,变形后期部分位错在刚性边界处塞积,两者都阻碍位错滑移,引起一定的强化作用. 关键词： 纳米线 屈服 位错 分子静力学     

有限温度下位错环的脱体现象

在FCC单晶铜中构造了滑移面为（111）,伯格矢量为b=［112］/6的圆形不完全位错环．采用分子动力学方法模拟了该位错环在0—350 K温度区间内的自收缩过程．模拟结果发现：零温度下,位错不能跨越Peierls-Nabarro势垒运动,迁移速度为0;50　K温度下,螺型和刃型位错具有基本相同的迁移速度;随温度增加,刃型位错具有较大迁移速度;温度较高时,位错核宽度进一步增加;小位错环周围的局部应力,引起4个脱体位错环;脱体位错环在原位错的应力作用下逐渐生长,原位错消失后,在自相 关键词： 单晶铜 位错环 分子动力学 位错源     

Orientation effects in interaction of screw dislocation with interstitial impurity atom in b.c.c. lattice

The cross-slip and pinning of a 1/2a〈111〉 screw dislocation in b.c.c. metals in the vicinity of an interstitial impurity atom are studied in dependence on crystal orientation. To this purpose, the interaction energy between the dislocation and an interstitial atom is calculated in an anisotropic elastic continuum and it is assumed that the screw dislocation moves microscopically on {112} or {110} planes between its stable configuration positions in b.c.c. lattice. It is found that the probability of induced cross-slip is orientation dependent. This result is used for discussion of orientation dependence of the change of CRSS due to increased carbon content which was experimentally determined for Fe-3.2% Si alloy single crystals in a previous paper (Blahovec J., Kade?ková S.: Czech. J. Phys.B 21 (1971), 846).     

Twin-transformed lattice defects in γ-TiAl

We study the transformation of lattice defects in γ-TiAl upon intersection by deformation twins. A faulted dipole is chopped forming a dislocation loop faulted on the cube plane of the twin; faulted dipoles and twin loops may shrink at different rates. Dislocations with 1/2<110] and <011] Burgers vectors gliding on octahedral planes are transformed into configurations with low mobility on {010} plane. Elementary mechanisms involved in the transformation are considered and a pole mechanism for twin growth at forest dislocations is proposed.     

The heterogeneous nature of slip in ice single crystals deformed under torsion

Ice single crystals were deformed under torsion and dislocation arrangements were analyzed by synchrotron topography at ESRF (European Synchrotron Radiation Facility). Profile analysis of the topographs revealed the scale-invariant character of the dislocation arrangement with long-range correlations. Dislocation density gradients are shown to be slightly anti-correlated as the intensity profile is similar to an anti-persistent random walk-like signal. This analysis reveals the influence of internal stresses on dislocation arrangement up to the sample scale. Similar observations in reversed torsion experiments, together with strong hardening behaviour, allow a mechanism of cross-slip of basal dislocations on prismatic planes to be suggested for interpretation of local dislocation interaction behaviour.     

In situ and tomographic observations of defect free channel formation in ion irradiated stainless steels

The effects of heavy-ion irradiation on dislocation processes in stainless steels were investigated using in situ irradiation and deformation in the transmission electron microscope as well as post mortem electron tomography to retrieve information on the three-dimensional dislocation state. Irradiation-induced defects were found to pose a strong collective barrier to dislocation motion, leading to dislocation pileups forming in grain interiors and at grain boundaries. The passage of multiple dislocations along the same slip plane removes the irradiation defects and leads to the eventual formation of a defect-free channel. These channels are composed of densely tangled dislocation networks which line the channel-matrix walls as well as residual dislocation debris in the channel interiors. The structures of the dislocation tangles were found to be similar to those encountered in later stages of deformation in unirradiated materials, with the exception that they developed earlier in the deformation process and were confined to the defect free channels. Also, defect free channels were found to widen through both source widening as well as complex cross-slip mechanisms.     

Low-strain fatigue in AISI 316L steel surface grains: a three-dimensional discrete dislocation dynamics modelling of the early cycles I. Dislocation microstructures and mechanical behaviour

The early stages of the formation of dislocation microstructures in low-strain fatigue are analysed, using three-dimensional discrete dislocation dynamics modelling. Simulations under various conditions of loading amplitude and grain size have been performed. Both the dislocation microstructures and the associated mechanical behaviour are accurately reproduced in single-slip as well as in double-slip loading conditions. The microstructures thus obtained are analysed quantitatively, in terms of number of slip bands per grain, band thickness and band spacing. The simulations show the crucial role of cross-slip both for the initial spreading of strain inside the grain and for the subsequent strain localization in the form of slip bands. A complete and detailed scheme for the persistent slip band formation is proposed, from the observation of the numerical dislocation arrangements.     

Dislocation emission at the onset of plasticity during nanoindentation in gold

Nanoindentations and the subsequent plastic damage in the form of dislocation configurations have been both generated and imaged with scanning tunnelling microscopy on a reconstructed Au(001) surface, the resulting observations being interpreted in terms of the elastic theory of dislocations in a continuum. The rearranged pileup material around the nanoindentation is described in terms of dislocation emission and glide involving, in particular, multiple cross-slip. ‘Mesas’, shallow protusions stemming from a special dislocation configuration consisting of Schockley partial dislocations encompassing two stacking faults, are shown to glide parallel to the surface under the stress generated by further nanoindentations. The spatial distribution of ‘mesas’ around the nanoindentation traces is shown to be controlled by a balance between the interactions between the different ‘mesas’ and the stresses arising from the nanoindentation itself.     

Hydrogen-enhanced local plasticity in aluminum: an ab initio study

Dislocation core properties of Al with and without H impurities are studied using the Peierls-Nabarro model with parameters determined by ab initio calculations. We find that H not only facilitates dislocation emission from the crack tip but also enhances dislocation mobility dramatically, leading to macroscopically softening and thinning of the material ahead of the crack tip. We observe strong binding between H and dislocation cores, with the binding energy depending on dislocation character. This dependence can directly affect the mechanical properties of Al by inhibiting dislocation cross-slip and developing slip planarity.     

In-situ transmission electron microscopy study of dislocation processes at precipitate-free zones in a γ ′-strengthened superalloy

In precipitation-strengthened polycrystals, precipitate-free zones (PFZs) often form along grain boundaries. These PFZs lower the yield strength. In this investigation, thin foils of the commercial γ′-strengthened nickel-based superalloy Nimonic PE16 have been strained inside a transmission electron microscope and the relevant dislocation processes in the PFZs and in the γ′-strengthened material next to them have been observed under load. Since the PFZs are only solid solution strengthened, they are softer than the interior of the γ′-strengthened grains. Many different slip systems are activated in the PFZs even at relatively low external stresses. Multiple slip allows for compatible deformation of neighbouring grains. Extensive cross-slip and double cross-slip in the PFZs lead to a high dislocation multiplication rate. Easy creation of dislocations in the PFZs and pile-ups at the border between the PFZs and the γ′-strengthened interior of the grains enhance the propagation of slip across grain boundaries and thus lower the yield strength of the material.