Diffusivities of an Al–Fe–Ni melt and their effects on the microstructure during solidification

Lijun Zhang et al

A systematical investigation of the diffusivities in an Al–Fe–Ni melt was presented. Based on the experimental and theoretical data about diffusivities, the temperature- and composition-dependent atomic mobilities were evaluated for the elements in Al–Ni, Al–Fe, Fe–Ni and Al–Fe–Ni melts via an effective approach. Most of the reported diffusivities can be reproduced well by the obtained atomic mobilities. In particular, for the first time the ternary diffusivity of the liquid in a ternary system is described in conjunction with the established atomic mobilities. The effect of the atomic mobilities in a liquid on microstructure and microsegregation during solidification was demonstrated with one Al–Ni binary alloy. The simulation results indicate that accurate databases of mobilities in the liquid phase are much needed for the quantitative simulation of microstructural evolution during solidification by using various approaches, including DICTRA and the phase-field method.

Genetic design and characterization of novel ultra-high-strength stainless steels strengthened by Ni3Ti intermetallic nanoprecipitates

W. Xu et al

A general computational alloy design approach based on thermodynamic and physical metallurgical principles, and coupled with a genetic optimization scheme, is presented. The method is applied to the design of new ultra-high-strength maraging stainless steels strengthened by Ni3Ti intermetallics. In the first design round, the alloy composition is optimized on the basis of precipitate formation at a fixed ageing temperature without considering other steps in the heat treatment. In the second round, the alloy is redesigned, applying an integrated model which allows for the simultaneous optimization of alloy composition and the ageing temperature as well as the prior austenitization temperature. The experimental characterizations of prototype alloys clearly demonstrate that alloys designed by the proposed approach achieve the desired microstructures.

[1] On grain growth in the presence of mobile particles

V.Yu. Novikov

The ability of second phase particles to migrate along with grain boundaries is shown to be determined not only by the particle mobility but also by the migration rate of the grain boundary where they locate. This leads to a duality in the mobile particle behaviour: they behave as either movable or immovable depending on the boundary migration rate. In the first case, they reduce the boundary mobility; in the second one they decrease the driving force for boundary migration. It is demonstrated by numerical modeling that mobile particles with low mobility can suppress grain growth even in nanocrystalline material, the limiting grains size being several times smaller than in the case of randomly distributed immobile particles. It is also shown that the Zener solution to the problem of the grain growth retardation by disperse particles is a specific case of the proposed approach.

[2] Neutron Larmor diffraction measurements for materials science

J. Repper et al

Neutron Larmor diffraction (LD) is a high-resolution diffraction technique based on the Larmor precession of polarized neutrons. In contrast to conventional diffraction, LD does not depend on the accurate measurement of Bragg angles, and thus the resolution is independent of the beam collimation and monochromaticity. At present, a relative resolution for the determination of the crystal lattice spacing d of Δd/dnot, vert, similar10-6 is achieved, i.e. at least one order of magnitude superior to conventional neutron or X-ray techniques. This work is a first step to explore the application of LD to high-resolution problems in the analysis of residual stresses, where both the accurate measurement of absolute d values and the possibility of measuring type II and III stresses may provide additional information beyond those accessible by conventional diffraction techniques. Data obtained from Inconel 718 samples are presented.

[1] Comparing properties of substrate-constrained and freestanding epitaxial Ni–Mn–Ga films

Anja Backen et al

In order to use the magnetic shape memory alloy Ni–Mn–Ga with its high achievable strain of up to 10% for microactuators, freestanding epitaxial films are required. Here we show that these conditions can be fulfilled when using chromium as a sacrificial layer. The low misfit towards Ni–Mn–Ga enables epitaxial growth. Furthermore, Cr can afterwards be removed selectively by wet-chemical etching and during deposition no significant interdiffusion is observed. The structure, microstructure and magnetic properties of micrometer thick films are not affected by the etching process. Films are ferromagnetic at room temperature and we observe the coexistence of non-modulated (NM) and seven layered modulated (14 M) martensite. Tensile stress–strain measurement of a freestanding bridge reveals a broad strain plateau of 12% at a twinning stress of 25 MPa, indicating reorientation of NM variants.

[2] Kinetics of dislocations in pure Fe. Part I. In situ straining experiments at room temperature

D Caillard

In situ straining experiments have been carried out in pure Fe, in order to determine the geometry and the kinetics of dislocation glide at room temperature. Straight screw dislocations glide slowly in {1 1 0} elemental slip planes, at a velocity proportional to their length, whereas curved non-screw parts are highly mobile. The exact loop shape can yield the local stress as well as the difference of core energy between pure screw and near-screw orientations. The velocity–stress dependence of screws has been measured at the scale of a single dislocation source, and compared with macroscopic activation areas. The results are discussed in terms of the kink-pair mechanism.

[3] Kinetics of dislocations in pure Fe. Part II. In situ straining experiments at low temperature

D Caillard

In situ straining experiments have been carried out at low temperature in pure Fe, in order to study the change of mechanism occurring at around 250 K. The local stress necessary to move individual screw dislocations is in good agreement with the macroscopic yield stress at various temperatures. In the lower temperature range, straight screw segments have a jerky motion in {1 1 0} planes, at variance from the steady motion observed near room temperature. The distributions of waiting times in locked positions, and jump distances, the temperature variation of the average jump distance, and the stress/temperature variation of the macroscopic activation areas, are inconsistent with the kink-pair mechanism observed above 250 K. They have been interpreted in terms of a locking–unlocking mechanism, already proposed in hexagonal-closed-packed metals. Under such conditions, the change of mechanism at 250 K can account for the surprisingly low value of the flow stress extrapolated to 0 K (much lower than the theoretical Peierls stress).

[4] A micromechanical formulation for piezoelectric fiber composites with nonlinear and viscoelastic constituents

Anastasia H Muliana

This study presents a simplified micromechanical model to predict electromechanical behaviors of piezocomposites, having ferroelectric fibers and polymer matrix. A nonlinear electromechanical constitutive model is formulated for the ferroelectric fibers, i.e. PZT fibers. The nonlinearity is due to polarization switching in the PZT materials under high electric field and compression stress. Phenomenological models are used to represent stress–strain and polarization–electric field hysteresis responses during polarization switching. The nonlinear electromechanical constitutive relation is verified using hysteresis polarization and strain responses of PZT-51. Effective responses of piezocomposites at various fiber volume contents, generated using the simplified micromechanical model, are also compared with available experimental data. The effects of viscoelastic polymer matrix on the overall electromechanical hysteresis and creep behaviors of piezocomposites are also examined.

[5] An analytical model for constitutional supercooling-driven grain formation and grain size prediction

M Qian et al

Being able to predict the grain formation process and attendant grain size has been a central topic in solidification. Such an analytical model is presented for constitutional supercooling (CS)-driven grain formation with several simplifications. The model links the nucleation of new grains to the growth of a larger neighbouring grain. The average grain size (View the MathML source) is thus determined by two components: the minimum growth (rcs) necessary to establish sufficient CS (ΔTn) for nucleating new grains, and the spatial mean distance (View the MathML source) to the most potent available nucleants. Both spherical and planar growth fronts are considered, covering growth curvatures from small to infinite. Two distinct fundamental approaches are used, which result in identical descriptions of View the MathML source, where View the MathML source (D is the diffusion coefficient, v is the growth velocity, Q is the growth restriction factor). The model is compared with literature data produced under various conditions and demonstrated on aluminium alloys as an example.

[6] Surfaces, interfaces and phase transitions in Al–In monotectic alloys

I Kaban et al

Surface and bulk liquid phase transitions are measured by a unique method currently used to determine surface and interfacial tension of liquid alloys. Focusing on the Al–In system, the location of the liquid miscibility gap was determined from the critical to the monotectic temperatures. The surface tensions of nine liquid alloys, the interfacial tension between coexisting liquids and their densities were measured as a function of temperature. Implementing the bulk data extracted from the asymmetric miscibility gap into a sub-regular model reproduced the experimental surface and interfacial tensions. The wetting temperature was estimated to lie well below the monotectic temperature. The micrometer thickness of the In-rich films which wet the surface of the Al-rich liquid phase after solidification is suggested to be due to the growth of the equilibrium wetting film by diffusion from the Al-rich phase during cooling.

[7] On the characteristics of substructure development through dynamic recrystallization

Hossein Beladi et al

Substructure development in an austenitic Ni–30%Fe model alloy was investigated within a dynamic recrystallization (DRX) regime. The substructure characteristics of the deformed matrix and DRX grains were markedly different regardless of the grain size and orientation. The former largely displayed ‘organized’, banded subgrain arrangements with alternating misorientations, resulting from a limited number of active slip systems. In contrast, the substructure of DRX grains was generally more ‘random’ and exhibited complex subgrain/cell arrangements characterized by local accumulation of misorientations, suggesting multiple slip. The proposed mechanism of the unique substructure development within DRX grains suggests that the DRX nuclei, forming along pre-existing grain boundaries and triple points, essentially represent grain boundary regions, which experience multiple slip to preserve the compatibility with neighbouring deformed grains. This results in the formation of a complex cell/subgrain structure, which progressively extends as the grain boundary regions expand outwards during DRX growth.

[8] Effect of coalescence on threading dislocations in GaN films

Yun Liu and Jia Zhang

The effect of islands coalescence on threading dislocations (TDs) in GaN films (300 nm thick) grown on non-annealed and annealed sapphire substrates has been studied. Atomic force microscopy measurement shows the a-type TDs density first decreases and then increases during the coalescence process, while the densities of (a+c)- and c-type TDs decrease with increasing coalescence proportions. X-ray diffraction data indicates that lattice tilt of GaN films is greatly reduced by coalescence while the change of twist depends on coalescence proportions.

[9] Stress-enhanced growth rate of alumina scale formed on FeCrAlY alloy

X Zhao et al

The effect of stresses on the growth rate of alumina scale formed on FeCrAlY alloy is reported. It is found the compressive growth stress slows the outward diffusion of carbon in the oxide, resulting in enhanced O2- ion transport, thereby accelerating scale growth. The results are confirmed by the electrical measurements on the oxidised alloy that reveal a higher ionic conductivity can be correlated with a higher compressive stress. Possible mechanisms of this phenomenon are discussed.

Observations on the effect of a magnetic field on the annealing texture and microstructure evolution in zirconium

D A Molodov and N Bozzolo

The effect of a magnetic field on the development of texture and microstructure in cold-rolled (80%) commercially pure zirconium (Zr701) was investigated. The specifically oriented sheet specimens were annealed at 550 °C for 15, 30 and 45 min and at 700 °C for 60, 90 and 180 min in a magnetic field of 19 T and 17 T, respectively. X-ray diffraction and electron backscatter diffraction measurements were used to characterize the crystallographic texture and the grain microstructure. The results revealed that the magnetic annealing promotes grain growth in the investigated material. This becomes apparent from the faster development of specific “grain growth” texture components and the bigger mean grain size after magnetic annealing. Magnetic annealing at 700 °C resulted in asymmetry of the two major texture components that constantly increased with annealing time. This effect is attributed to a magnetic driving force for grain growth arising from the anisotropic magnetic susceptibility of zirconium.

Preface to the view point set Jean-Marc Chaix et al

Thermodynamics and Kinetics of Grain Boundary Triple Junctions in Metals – Recent Developments

G Gottstein et al

We assess the contribution of grain boundary triple junctions to the driving force for grain growth and the “energetic” effect of boundary junctions on grain growth in nanocrystalline materials. The first measurement of grain boundary line tension allows to estimate quantitatively the fraction of the driving force due to boundary triple junctions. For polycrystals with a grain size in the range of not, vert, similar50 nm, it is comparable with the driving force from grain boundaries.

On the triple line in infiltration of liquid metals into porous preforms

J M Molina et al

We address here two questions of current interest: i) are contact angles measured by means of the sessile drop technique of any help to understand liquid metal infiltration into solid porous preforms?, and, ii) to what extent are contact angles derived from either the capillary law or drainage curves valid?. These questions have neither a simple nor a unique answer, as infiltration may occur under very different scenarios, namely, non-reactive and reactive infiltration, both spontaneous and forced. On the other hand, while the use of the simplest version of the capillary law relies upon the questionable slug-flow hypothesis, analyzing drainage curves by means of Brooks and Corey model seems only justified for particular distributions of pore sizes such as a power law. Anyhow, experimental studies indicate that threshold pressures, and therefore contact angles, derived from those two methods are not so different.

Grain refinement in highly undercooled solidification of Ni85Cu15 alloy melt; direct evidence for recrystallisation mechanism

T Zhang et al

The grain refinement occurring upon rapid solidification of undercooled Ni85Cu15 alloy melts has been studied. Applying theoretical calculations for stress accumulation in dendritic skeletons, the grain refinement occurring with ΔT >not, vert, similar180K is ascribed to the plastic deformation of dendrites and the subsequent recrystallization. This has been evidenced directly using high resolution transmission electron microscopy (HRTEM) observation for the as-solidified granular crystals.

Triple lines

March 7, 2010

Did you also notice the explosion of papers dealing with triple lines in Scripta? Here are some more.

[1] The role of triple line in solid state microstructural evolutions: interplay with interfaces and consequences on instabilities and pattern selection

YvesS Brechet

The present contribution illustrates the role of the triple line in solid state microstructural evolution. In single phase materials, the role of the triple line in grain growth phenomena is discussed. In surface alloying, it is shown that the contact angle at the interface plays a key role on the kinetics of the process. In discontinuous precipitation, it is shown that the conditions at the triple line removes the degeneracy of the problem of spacing selection.

[2] Early Stages of Dissolutive Spreading

E Saiz et al

The initial instants of spreading in high-temperature dissolutive systems (Cu and Au on Ni) are recorded using high-speed video and a drop transfer set-up. The results suggest the existence of an initial regime where the advance of the triple junction is too fast compared with dissolution and spreading occurs on a flat unreacted surface. The analysis indicates that spreading is then controlled by the triple line friction. The calculated friction coefficients are similar to those for non-reactive high-temperature systems.

[3] Approaches to atomistic triple-line-properties from first principles

A Hashibon and C Elsaesser

Different approaches to study wetting and adhesion by applying density-functional theory (DFT) methods are highlighted. The ab-initio thermodynamics method is used to demonstrate the link between the calculated work of separation and the work of adhesion and wetting angles from sessile-drop measurements. An approach to extend DFT calculations to the case of large scale interfaces relevant for wetting systems is also discussed.

Few papers of interest from Acta and Scripta:

[1] Phase-field simulation of void migration in a temperature gradient

S Y Hu and C H Henegar Jr

A phase-field model simulating vacancy diffusion in a solid with a strong vacancy mobility inhomogeneity is presented. The model is used to study void migration via bulk and surface diffusion in a temperature gradient. The simulations demonstrate that voids migrate up the temperature gradient, and the migration velocity varies inversely with the void size, in agreement with theory. It is also shown that the current model has the capability to investigate the effects of surface diffusion, temperature gradient and vacancy concentration on the void migration velocity. An interesting potential application of the model is to study the kinetics of void migration and the formation of a central hole in nuclear fuels.

[2] Analysis by high-resolution electron microscopy of elastic strain in thick InAs layers embedded in Ga0.47In0.53As buffers on InP(0 0 1) substrate

C Gatel et al

Elastic strain has been investigated by transmission electron microscopy in nanometric InAs layers grown on Ga0.47In0.53As/InP(0 0 1) by molecular beam epitaxy using a residual Sb flux. Deposits of 10 and 15 monolayers of InAs (3 and 4.5 nm) remain elastically stressed with a two-dimensional growth mode. The out-of-plane strain in the layers is analyzed by cross-sectional high-resolution electron microscopy. A distortion of the substrate below and on top of the InAs layers is detected and is attributed to a significant surface relaxation effect due to thinning. Surface relaxation is modeled by three-dimensional finite element modeling. An additional relaxation effect is obtained when the sample is not infinite along the direction perpendicular to the thinning. This effect enhances the buffer distortion of the buffers below and on top of the strained layers. Taking into account thin foil effects, the experimental out-of-plane strain is in excellent agreement with the theoretical value calculated for a pure InAs layer (i.e. 0.035), demonstrating the high level of strain and stress in the layers.

[3] The influence of solid-liquid interfacial energy anisotropy on equilibrium shapes, nucleation, triple lines and growth morphologies

M Rappaz et al

The anisotropy of the solid-liquid interfacial energy plays a key role during the formation of as-solidified microstructures. Using the ξ-vector formalism of Cahn and Hoffman, this contribution presents the effect that anisotropy has on the equilibrium shapes of crystals and on surface tension equilibrium at triple lines. Consequences on heterogeneous nucleation of anisotropic crystals and on dendritic growth morphologies are detailed with specific examples related to Al-Zn and Zn-Al alloys.