Ideal shear banding in metallic glass

As the most fundamental deformation mechanism in metallic glasses (MGs), the shear banding has attracted a lot of attention and interest over the years. However, the intrinsic properties of the shear band are affected and even substantially changed by the influence of non-rigid testing machine that cannot be completely removed in real compression tests. In particular, the duration of the shear banding event is prolonged due to the recovery of the stressed compliant frame of testing machine and therefore the temperature rise at the operating shear band is, more or less, underestimated in previous literatures. In this study, we propose a model for the ‘ideal’ shear banding in metallic glass. The compliance of the testing machine is eliminated, and the intrinsic shear banding process is extracted and investigated. Two important physical parameters, the sliding speed and the temperature of shear band, are calculated and analysed on the basis of the thermo-mechanical coupling. Strain-rate hardening is proposed to compensate thermal softening and stabilise the shear band. The maximum value of the sliding speed is found to be on the order of 10 m/s at least, and the critical temperature at which strain-rate hardening begins to take effect should reach as high as 0.9T_g (T_g is the glass transition temperature) for a stable shear banding event in metallic glass according to the early experimental data. This model can help to understand and control the shear banding and therefore the deformation in MGs.     

Deformation behavior of Fe-based bulk metallic glass during nanoindentation

Fe-based bulk metallic glasses (BMGs) normally exhibit super high strength but significant brittleness at ambient temperature. Therefore, it is difficult to investigate the plastic deformation behavior and mechanism in these alloys through conventional tensile and compressive tests due to lack of distinct macroscopic plastic strain. In this work, the deformation behavior of Fe₅₂Cr₁₅Mo₉Er₃C₁₅B₆ BMG was investigated through instrumented nanoindentation and uniaxial compressive tests. The results show that serrated flow, the typical plastic deformation feature of BMGs, could not be found in as-cast and partially crystallized samples during nanoindentation. In addition, the deformation behavior and mechanical properties of the alloy are insensitive to the applied loading rate. The mechanism for the appearance of the peculiar deformation behavior in the Fe-based BMG is discussed in terms of the temporal and spatial characteristics of shear banding during nanoindentation. Supported by the National Natural Science Foundation of China (Grant Nos 50571109, 10572142 and 56771102) and the National Basic Research Program of China (973 Program)(Grant No 2007CB613900)     

Structural and electronic properties of InNxP1-x alloy in full range (0 ≤ x ≤1)

We have performed first-principles method to investigate structural and electronic properties of InN_xP_1?x ternary semiconductor alloy in full range (0 ≤ x ≤ 1) using density functional theory. We have used modified Becke–Johnson potential to obtain accurate band gap results. From the electronic band structure calculation we have found that InN_xP_1?x become metal between 47 and 80% of nitrogen concentration. Additional to our band gap calculations, we have also used the band anticrossing model. The band anticrossing model supplies a simple, analytical expression to calculate the physical properties, such as the electronic and optical properties, of III-N_xV_1?x alloys. The knowledge of the electron density of states is required to understand and clarify some properties of materials such as the band structures, bonding character and dielectric function. In order to have a deeper understanding of these properties of the studied materials, the total and partial density of states has been calculated. Finally, we have calculated the total bowing parameter b of studied alloys, together with three contributions b_VD, b_CE, and b_SR due to volume deformation, different atomic electron negativities and structural relaxation, respectively.     

Improving magnetocaloric properties of Fe68–xCrxTb5B23Nb4 (x = 0, 2, 4, 6 and 8) metallic glasses having high glass-forming ability with tunable Curie temperature

Abstract

The impacts of adding Cr on the Curie temperature (T_C), glass-forming ability (GFA), and magnetocaloric effect were studied in Fe_68?xCr_xTb₅B₂₃Nb₄ (x = 0, 2, 4, 6 and 8) metallic glasses prepared by suction casting. GFA depends on Cr content in the composition. For Fe_68?xCr_xTb₅B₂₃Nb₄ bulk metallic glasses (BMGs), with critical diameters up to ~3 mm can be produced by suction casting and maximum value of GFA was found for x = 6. By exchanging Cr with Fe partially, T_C could effectively be adjusted in a quite broad temperature interval from 487 K for x = 0 to 267 K for x = 8, whereas maximum magnetic entropy change decreased from 1.16 to 0.53 Jkg^?1 K^?1 and refrigeration capacity (RC) changed from 116 to 45.05 J/kg under a low field change of 2 T. Though T_C is shifted to room temperature, maximum magnetic entropy change and RC decreased almost half of the base alloy. To enhance these properties (Fe_0.62Cr_0.06Tb_0.05B_0.23Nb_0.04)_100?yCu_y (y = 0.75, 1), metallic glasses are prepared. By the help of small addition of Cu, magnetocaloric properties can be effectively increased without changing the T_C. These findings show that the successful synthesis of the Fe-based Fe₆₂Cr₆Tb₅B₂₃Nb₄ and (Fe_0.62Cr_0.06Tb_0.05B_0.23Nb_0.04)_100?yCu_y (y = 0.75, 1) BMGs near room temperature, could be considered as promising candidates as magnetic refrigerant materials.     

Phase transformations and thermal stability of the structure of Ti<Subscript>3</Subscript>Al intermetallic compound at deuteration and plastic deformation

The structural transformations in Ti₃Al intermetallic compound at deuteration with concentrations x = 1.2 and 1.7, heating at 100–400°C, and shear deformation under pressure have been studied. It is established that at a given deuterium concentration deuterides with fcc and orthorhombic lattices are formed; under severe shear deformation, nanocrystalline and amorphous (or close to amorphous) deuterides arise. The reasons for the structure amorphization at deuteration and subsequent plastic deformation are discussed.     

Short-range order clustering in BCC Fe–Mn alloys induced by severe plastic deformation

The effect of severe plastic deformation, namely, high-pressure torsion (HPT) at different temperatures and ball milling (BM) at different time intervals, has been investigated by means of Mössbauer spectroscopy in Fe_100–xMn_x (x = 4.1, 6.8, 9) alloys. Deformation affects the short-range clustering (SRC) in BCC lattice. Two processes occur: destruction of SRC by moving dislocations and enhancement of the SRC by migration of non-equilibrium defects. Destruction of SRC prevails during HPT at 80–293 K; whereas enhancement of SRC dominates at 473–573 K. BM starts enhancing the SRC formation at as low as 293 K due to local heating at impacts. The efficiency of HPT in terms of enhancing SRC increases with increasing temperature. The authors suppose that at low temperatures, a significant fraction of vacancies are excluded from enhancing SRC because of formation of mobile bi- and tri-vacancies having low efficiency of enhancing SRC as compared to that of mono vacancies. Milling of BCC Fe_100–xMn_x alloys stabilises the BCC phase with respect to α → γ transition at subsequent isothermal annealing because of a high degree of work hardening and formation of composition inhomogeneity.     

Nanocrystallization of an amorphous Fe<Subscript>80</Subscript>B<Subscript>20</Subscript> alloy during severe plastic deformation

The structural evolution of an amorphous Fe₈₀B₂₀ alloy subjected to severe plastic deformation at room temperature or at 200°C was studied. Deformation leads to the formation of α-Fe nanocrystals in an amorphous phase. After room-temperature deformation, nanocrystals are localized in shear bands. After deformation at 200°C, the nanocrystal distribution over the alloy is more uniform. Possible causes of the crystallization of the amorphous phase during severe plastic deformation are discussed.     

Theoretical investigations of the structural,electronic and optical properties of Hg1−xCdxTe alloys

The structural, electronic and optical properties of mercury cadmium telluride (Hg_1?xCd_xTe; x = 0.0, 0.25, 0.5, 0.75) alloys are studied using density functional theory within full-potential linearized augmented plane wave method. We used the local density approximation (LDA), generalized gradient approximation (GGA), hybrid potentials, the modified Becke–Johnson (LDA/GGA)-mjb and Hubbard-corrected functionals (GGA/LDA + U), for the exchange-correlation potential (E_ex). We found that LDA functional predicts better lattice constants than GGA functional, whereas, both functionals fail to predict the correct electronic structure. However, the hybrid functionals were more successful. For the case of HgTe binary alloy, the GGA + U functional predicted a semi-metallic behaviour with an inverted band gap of ?0.539 eV, which is closest to the experimental value (?0.30 eV). Ternary alloys, however, are found to be semiconductors with direct band gaps. For the x = 0.25 and 0.50, the best band gaps are found to be 0.39 and 0.81 eV using LDA-mbj functional, whereas, the GGA-mbj functional predicted the best band gap of 1.09 eV for Hg_0.25Cd_0.75Te alloy, which is in a very good agreement with the experimental value (1.061 eV). The optical properties of the alloys are obtained by calculating the dielectric function ?(ω). The peaks of the optical dielectric functions are consistent with the electronic gap energies of the alloys.     

Kinetics of shear banding in a bulk metallic glass monitored by acoustic emission measurements

Detailed acoustic emission (AE) and surface microscopy investigations of the kinetics of shear banding in bulk Zr_52.5Ti₅Cu_17.9Ni_14.6Al₁₀ metallic glass at room temperature are presented. The shear band propagates in a jump-like mode as reflected by numerous AE bursts. The time distribution and cluster statistical analysis of AE time series revealed, firstly, that there are two shear banding processes notably different in their spatial scales and, secondly, that formation of shear bands at large strains can be correlated in time and space. Independence of the AE characteristics on the current stress magnitude implies that shear band propagation could not be interpreted as a shear front motion in a viscous Newtonian-like medium. The AE response to shear banding is to a certain extent similar to that of a moving dislocation pile-up escaping to a free surface. It is emphasized that AE and microscopic features of shear banding in the bulk metallic glass are very nearly the same as those found earlier for melt-spun ribbon glasses, indicating that the change in the quenching rate by about four orders of magnitude does not cause the kinetics of shear band nucleation and propagation to vary considerably.     

Comparison of shear banding in BMGs due to thermal-softening and free volume creation

This paper reports a comparative study of shear banding in BMGs resulting from thermal softening and free volume creation. Firstly, the effects of thermal softening and free volume creation on shear instability are discussed. It is known that thermal softening governs thermal shear banding, hence it is essentially energy related. However, compound free volume creation is the key factor to the other instability, though void-induced softening seems to be the counterpart of thermal softening. So, the driving force for shear instability owing to free volume creation is very different from the thermally assisted one. In particular, long wave perturbations are always unstable owing to compound free volume creation. Therefore, the shear instability resulting from coupled compound free volume creation and thermal softening may start more like that due to free volume creation. Also, the compound free volume creation implies a specific and intrinsic characteristic growth time of shear instability. Finally, the mature shear band width is governed by the corresponding diffusions (thermal or void diffusion) within the band. As a rough guide, the dimensionless numbers: Thermal softening related number B, Deborah number (denoting the relation of instability growth rate owing to compound free volume and loading time) and Lewis number (denoting the competition of different diffusions) show us their relative importance of thermal softening and free volume creation in shear banding. All these results are of particular significance in understanding the mechanism of shear banding in bulk metallic glasses (BMGs). Supported by the Chinese Academy of Sciences under the project “Multi-Scale Complex System” (Grant No. KJCX-SW-L08), the National Natural Science Foundation of China (Grant Nos. 10725211 and 10721202), and the Doctorial Start-up Fund of Hunan University of Science and Technology (Grant No. E50840)     

On low temperature glide of dissociated 〈1 1 0〉 dislocations in strontium titanate

An elastic interaction model is presented to quantify low temperature plasticity of SrTiO₃ via glide of dissociated 〈1 1 0〉{1 1 0} screw dislocations. Because 〈1 1 0〉 dislocations are dissociated, their glide, controlled by the kink-pair mechanism at T < 1050 K, involves the formation of kink-pairs on partial dislocations, either simultaneously or sequentially. Our model yields results in good quantitative agreement with the observed non-monotonic mechanical behaviour of SrTiO₃. This agreement allows to explain the experimental results in terms of a (progressive) change in 〈1 1 0〉{1 1 0} glide mechanism, from simultaneous nucleation of two kink-pairs along both partials at low stress, towards nucleation of single kink-pairs on individual partials if resolved shear stress exceeds a critical value of 95 MPa. High resolved shear stress allows thus for the activation of extra nucleation mechanisms on dissociated dislocations impossible to occur under the sole action of thermal activation. We suggest that stress condition in conjunction with core dissociation is key to the origin of non-monotonic plastic behaviour of SrTiO₃ at low temperatures.     

Shear band formation and fracture behavior of nanocrystalline (Co,Fe)-based alloys

The crystal structure, crystallization, fracture behavior and mechanical properties of (Co_{1 ? x} Fe _x )₈₉Zr₇B₄ (x = 0–0.7) nanocrystalline ribbons were investigated. The crystallization peaks of the amorphous ribbons tend to shift to higher temperatures with increasing Fe content. After annealing at 475°C for 3600 s, the main crystallization product is hcp-(Co,Fe) for the Co-rich composition (x = 0), bcc-(Co,Fe) for high Fe contents (x ≥ 0.3) and a mix of bcc, and fcc for intermediate compositions (0.025 ≤ x ≤ 0.15). The relative strain at fracture decreases dramatically (ε_f < 0.01) for x ≥ 0.15, whereas for lower Fe content it has a maximum (ε_f > 0.037) at x = 0.025 and 0.050 resulting in excellent resistance against fracture. The brittle ribbons (x ≥ 0.15) showed smooth fracture surface with dimples less than 230 nm in diameter, small localized or absent shear bands and large Vickers hardness (>1200 kg mm^?2). On the other hand, the Co-rich ribbons with greater ductility (x = 0.025, 0.05) exhibit a vein pattern filled with voids (features ～2–11 µm), extensive shear banding and lower Vickers hardness (<1050 kg mm^?2).     

Theoretical analysis of the electronic,optical and thermal properties of lead strontium telluride alloys Pb1−xSrxTe (x = 0.0−1.0)

We have simulated different physical properties of Pb_1?xSr_xTe semiconductors, using the Ab-initio full potential augmented plane wave (FP-LAPW) method. The two commonly used exchange potentials viz., PBE-GGA and WC-GGA are used along with the most recently developed modified Becke and Johnson (mBJ) potential to study the electronic and optical properties. In this study, we have observed an increase in band gap values as well as the lattice parameter with increasing the concentration of Sr atoms in Pb_1?xSr_xTe alloys while the bulk modulus and the refractive index have reverse effect. The microscopic origin of the band gap bowing is explained using the approach of Zunger and co-workers. At ambient conditions (p = 0, T = 0), the calculations indicate that Pb_1?xSr_xTe is a direct band gap semiconductor R–R with x = 0.125, 0.25, 0.375, 0.5, 0.625, 0.75 and 0.875. The refractive indices are also calculated using the FP-LAPW method and the models of Moss, Ravindra and the Herve–Vandame. The obtained results are in consistent with the previous available data. To study the thermal effects, the temperature effect on the lattice parameters, thermal expansions, heat capacities the quasi-harmonic Debye model is applied. The Debye temperature is determined from the non-equilibrium Gibbs function.     

Wear resistance of CuZr-based amorphous-forming alloys against bearing steel in 3.5% NaCl solution

Abstract

To investigate the amorphous-crystalline microstructure on the tribocorrosion of bulk metallic glasses (BMGs), 6 mm diameter rods of Cu_46-xZr₄₇Al₇Ag_x (x = 0, 2, 4) amorphous-forming alloys with in situ crystalline and amorphous phases were fabricated by arc-melting and Cu-mould casting. Using a pin-on-disc tribometer, the tribo-pair composed by CuZr-based amorphous-forming alloys and AISI 52100 steel were studied in 3.5% NaCl solution. With the increase of Ag content from 0 to 4 at.%, the compressive fracture strength and the average hardness decrease firstly and then increase. Moreover, 4 at.% Ag addition increases the amount of amorphous phase obviously and inhibits the formation of brittle crystalline phase, resulting in the improvement of corrosion resistance and the corrosive wear resistance. The primary wear mechanism of the BMG composites is abrasive wear accompanying with corrosive wear. The tribocorrosion mass loss of Cu₄₂Zr₄₇Al₇Ag₄ composite is 1.5 mg after 816.8 m sliding distance at 0.75 m s^?1 sliding velocity under 10 N load in NaCl solution. And the volume loss evaluated from the mass loss is about 20 times lower than that of AISI 304 SS. Thus, Cu₄₂Zr₄₇Al₇Ag₄ composite may be a good candidate in the tribology application under marine environment.     

First-principles study of the structural and elastic properties of AuxV1–x and AuxNb1–x alloys

Ab initio total energy calculations, based on the Exact Muffin-Tin Orbitals (EMTO) method in combination with the coherent potential approximation (CPA), are used to calculate the total energy of Au_xV_1–x and Au_xNb_1–x random alloys along the Bain path that connects the body-centred cubic (bcc) and face-centred cubic (fcc) structures as a function of composition x (0 ≤ x ≤ 1). The equilibrium Wigner–Seitz radius and the elastic properties of both systems are determined as a function of composition. Our theoretical prediction in case of pure elements (x = 0 or x = 1) are in good agreement with the available experimental data. For the Au–V system, the equilibrium Wigner–Seitz radius increase as x increases, while for the Au–Nb system, the equilibrium Wigner–Seitz radius is almost constant. The bulk modulus B and C₄₄ for both alloys exhibit nearly parabolic trend. On the other hand, the tetragonal shear elastic constant C′ decreases as x increases and correlates reasonably well with the structural energy difference between fcc and bcc structures. Our results offer a consistent starting point for further theoretical and experimental studies of the elastic and micromechanical properties of Au–V and Au–Nb systems.     

Plasticity and dynamical heterogeneity in driven glassy materials

Many amorphous glassy materials exhibit complex spatio-temporal mechanical response and rheology, characterized by an intermittent stress strain response and a fluctuating velocity profile. Under quasistatic and athermal deformation protocols this heterogeneous plastic flow was shown to be composed of plastic events of various sizes, ranging from local quadrupolar plastic rearrangements to system spanning shear bands. In this paper, through numerical study of a 2D Lennard-Jones amorphous solid, we generalize the study of the heterogeneous dynamics of glassy materials to the finite shear rate ( [(g)\dot] \dot{{\gamma}} 1 \neq 0 and temperature case (T 1 \neq 0 . In practice, we choose an effectively athermal limit (T ∼ 0 and focus on the influence of shear rate on the rheology of the glass. In line with previous works we find that the model Lennard-Jones glass follows the rheological behavior of a yield stress fluid with a Herschel-Bulkley response of the form, s \sigma = s_Y \sigma_{{Y}}^{} + c ₁ [(g)\dot]^b \dot{{\gamma}}^{{\beta}}_{} . The global mechanical response obtained through the use of Molecular Dynamics is shown to converge in the limit [(g)\dot] \dot{{\gamma}} ? \rightarrow 0 to the quasistatic limit obtained with an energy minimization protocol. The detailed analysis of the plastic deformation at different shear rates shows that the glass follows different flow regimes. At sufficiently low shear rates the mechanical response reaches a shear-rate-independent regime that exhibits all the characteristics of the quasistatic response (finite-size effects, cascades of plastic rearrangements, yield stress, ...). At intermediate shear rates the rheological properties are determined by the externally applied shear rate and the response deviates from the quasistatic limit. Finally at higher shear the system reaches a shear-rate-independent homogeneous regime. The existence of these three regimes is also confirmed by the detailed analysis of the atomic motion. The computation of the four-point correlation function shows that the transition from the shear-rate-dominated to the quasistatic regime is accompanied by the growth of a dynamical cooperativity length scale x \xi that is shown to diverge with shear rate as x \xi μ \propto [(g)\dot]^-n \dot{{\gamma}}^{{-\nu}}_{} , with n \nu ∼ 0.2 -0.3. This scaling is compared with the prediction of a simple model that assumes the diffusive propagation of plastic events.     

Effect of coherency strain on the deformation of In x Ga1− x As superlattices under nanoindentation and bending

It has been shown elsewhere that the room temperature yield pressure of In _x Ga_{1? x} As superlattices measured by nanoindentation, decreases from a high value as the volume averaged strain modulation is increased, while at 500°C under uniaxial compression or tension the yield stress increases from a low value with increasing strain modulation. We have used cross-sectional transmission electron microscopy to examine the deformation mechanisms in these two loading regimes. At room temperature both twinning and dislocation flow was found with the proportion of twinning decreasing with increasing strain modulation. The coherency strain of the superlattice is retained in a twin but partially relaxed by dislocation flow. The strain energy released by the loss of coherency assists dislocation flow and weakens the superlattice. Twins are only nucleated when a critical elastic shear of about 7° is achieved at the surface. The plastic zone dimensions under the indent are finite at the yield point, with a width and depth of approximately 1.3?µm and 1.1?µm respectively. Under uniaxial compression and tension at 500°C the superlattices deform by dislocation flow along {111} planes. The most highly strained samples also partially relax through the formation of misfit dislocations.     

Evolution of dislocation density in a hot rolled Zr–2.5Nb alloy with plastic deformation studied by neutron diffraction and transmission electron microscopy

Abstract

The evolution of dislocation density and microstructure of a hot rolled Zr–2.5Nb alloy under compressive plastic strain, at room temperature, was analysed using neutron diffraction and transmission electron microscopy (TEM). The dislocation densities of type 〈a〉, 〈c + a〉 and 〈c〉 dislocations at different plastic strains in the elastic–plastic transition regime and plastic regime have been measured by diffraction line profile analysis (DLPA). TEM microstructure characterization revealed the operation of different slip systems. It has been found that slip of type 〈a〉 dislocations contributed to most of the plastic strain at the early stage of deformation, and strong pyramidal 〈c + a〉 slip did not occur until the deformation was fully plastic. Unambiguous evidence of basal slip occurring at room temperature in Zr is provided. Loading along a plate direction with more basal poles favoured the operation of basal and pyramidal slip. Dislocation features including relative edge:screw character of 〈c + a〉 dislocations are shown to be different under tension and compression loading, providing a mechanistic driver for the previously observed asymmetry in critical resolved shear stress for 〈c + a〉 slip.     

A Modified Free Volume Model for Characterizing of Rate Effect in Bulk Metallic Glasses

We investigate the plastic deformation and constitutive behaviour of bulk metallic glasses （BMGs）. A dimensionless Deborah number DeiD = tr/ti is proposed to characterize the rate effect in BMGs, where tr is the structural relaxing characteristic time of BMGs under shear load, ti is the macroscopic imposed characteristic time of applied stress or the characteristic time of macroscopic deformation. The results demonstrate that the modified free volume model can characterize the strain rate effect in BMGs effectively.     

Band mixing in narrow gap semiconductors

The interaction of conduction and valence bands in narrow gap semiconductors such as InSb and HgCdTe influences the position and width of subband energy levels in space-charge layers. While a nonzero width can only occur if electrons from the conduction band can tunnel into approximately degenerate states of the valence band the level shifts due to band mixing are always present. We present a Green's function treatment which allows in a simple way to discuss the dependence of band mixing effects on the parameters of thek·p-Hamiltonian in particular the band gap. The essential qualitative feature of the level shifts is adecrease of subband energy separation withdecreasing effective mass. This agrees with recent experimental results for Hg_1-x Cd _x Te.