First principles based predictions of the toughness of a metal/oxide interface

We describe a first-principles-based strategy to predict the macroscopic toughness of a gamma-Ni(Al)/alpha-Al2O3 interface. Density functional theory calculations are used to ascertain energy changes upon displacing the two materials adjacent to the interface, with relaxation conducted over all atoms located within adjoining rows. Traction/displacernent curves are obtained from derivatives of the energy. Calculations are performed in mode I (opening), mode II (shear) and at a phase angle of 45 degrees. The shear calculations are conducted for displacements along < 110 > and < 112 > of the Ni lattice. A generalized interface potential function is used to characterize the results. Initial fitting to both the shear and normal stress results is required to calibrate the unknowns. Thereafter, consistency is established by using the potential to predict other traction quantities. The potential is incorporated as a traction/displacement function within a cohesive zone model and used to predict the steady-state toughness of the interface. For this purpose, the plasticity of the Ni alloy must be known, including the plasticity length scale. Measurements obtained for a gamma-Ni superalloy are used and the toughness predicted over the full range of mode mixity. Additional results for a range of alloys are used to demonstrate the influences of yield strength and length scale.

First principles based predictions of the toughness of a metal/oxide interface

We describe a first-principles-based strategy to predict the macroscopic toughness of a gamma-Ni(Al)/alpha-Al2O3 interface. Density functional theory calculations are used to ascertain energy changes upon displacing the two materials adjacent to the interface, with relaxation conducted over all atoms located within adjoining rows. Traction/displacernent curves are obtained from derivatives of the energy. Calculations are performed in mode I (opening), mode II (shear) and at a phase angle of 45 degrees. The shear calculations are conducted for displacements along < 110 > and < 112 > of the Ni lattice. A generalized interface potential function is used to characterize the results. Initial fitting to both the shear and normal stress results is required to calibrate the unknowns. Thereafter, consistency is established by using the potential to predict other traction quantities. The potential is incorporated as a traction/displacement function within a cohesive zone model and used to predict the steady-state toughness of the interface. For this purpose, the plasticity of the Ni alloy must be known, including the plasticity length scale. Measurements obtained for a gamma-Ni superalloy are used and the toughness predicted over the full range of mode mixity. Additional results for a range of alloys are used to demonstrate the influences of yield strength and length scale.

Microstructure and mechanical property of Mg-8.31Gd-1.12Dy-0.38Zr alloy

The Mg-8.31Gd-1.12Dy-0.38Zr (mass%) alloy was prepared by casting technology, and the microstructure, age hardening behavior and mechanical property have been investigated. It is noted that the alpha-Mg and the different Mg-RE (RE = Gd/Dy) compounds are subsistent in the as-cast and annealed state samples. The age hardening behavior is observed during the investigated temperature range, and the alloy exhibits high Vickers hardness, excellent ultimate tensile strength and yield strength at peak hardness.

Microstructure and mechanical properties of Mg-4.5Zn-xNd (x=0, 1 and 2, wt%) alloys

Microstructure and mechanical properties of Mg-4.5Zn-xNd (x = 0, 1 and 2, wt%) alloys heat-treated at 603 K for 2 It have been investigated. T-phase (an Mg-Zn-Nd ternary phase) was observed in the Nd containing alloys. The optimal mechanical properties were obtained in the Mg-4.5Zn-1Nd alloy, and the ultimate tensile strength and yield strength were 228 and 79 MPa, respectively. Through comparing with the Mg-4.5Zn alloy, the increments of ultimate tensile strength and yield strength were 51 and 17 MPa.

Microstructures and mechanical properties of the Mg-4.5Zn-xGd (x = 0, 2, 3 and 5) alloys

Microstructures and mechanical properties of the peak-aged Mg-4.5Zn-xGd (x = 0, 2, 3 and 5 wt.%) alloys have been investigated. The results showed that grain size increased with increasing Gd. Phase analysis showed that MgZn2 phase was observed in the Mg-4.5Zn alloy. While with Gd additions, Mg3Gd and Mg3Gd2Zn3 phases formed, and the volume fraction of the Mg3Gd2Zn3 phase increased with increasing Gd. Tensile test results indicated that the optimal mechanical properties were obtained in the Mg-4.5Zn-2Gd alloy, and the ultimate tensile strength and yield strength were 215 MPa and 121 MPa, respectively.

Structure and mechanical properties of extruded Mg-Gd based alloy sheet

The Mg-8Gd-2Y-1Nd-0.3Zn-0.6Zr (wt.%) alloy sheet was prepared by hot extrusion technique, and the structure and mechanical properties of the extruded alloy were investigated. The results show that the alloy in different states is mainly composed of alpha-Mg solid solution and secondary phases of Mg5RE and Mg24RE5 (RE = Gd, Y and Nd). At aging temperatures from 200 degrees C to 300 degrees C the alloy exhibits obvious age-hardening response. Great improvement of mechanical properties is observed in the peak-aged state alloy (aged at 200 degrees C for 60 h), the ultimate tensile strength (sigma(b)), tensile yield strength (sigma(0.2)) and elongation (epsilon) are 376 MPa, 270 MPa and 14.2% at room temperature (RT), and 206 MPa. 153 MPa and 25.4% at 300 degrees C, respectively, the alloy exhibits high thermal stability.

Microstructure and mechanical properties of Mg-4Al-4Nd-0.5Zn-0.3Mn alloy

Mg-4Al-4Nd-0.5Zn-0.3Mn alloy was prepared by metal mould casting method. Microstructure, aging behavior, mechanical properties and fracture morphology of the alloy were investigated. The results showed that alpha-Mg, Al-11 Nd-3, Al2Nd and Mg-32(Al,Zn)(49) phases were the main phases of the as-cast alloy. And the long rod-like Al-11 Nd-3 phase was decomposed to granular Al2Nd through T6 heat treatment. The tensile strength was also enhanced by T6 treatment. The yield strength was increased by 17% and 21% at RT and 150 degrees C, respectively. It was mainly because that the precipitates were refined through T6 treatment and this became more benefit to hinder dislocations slipping.

Microstructures and mechanical properties of as-cast Mg-5Y-3Nd-Zr-xGd (x=0, 2 and 4 wt.%) alloys

Mg-5Y-3Nd-0.6Zr-xGd (x = 0, 2 and 4 wt.%) alloys were prepared by metal mould casting technique, the structures and mechanical properties were investigated. The alloys were mainly composed of alpha-Mg solid solution and beta-phase. With increasing Gd content, Mg5RE phase increased and the grain was refined. The Mg-5Y-3Nd-2Gd-0.6Zr alloy exhibited highest ultimate tensile strength and Mg-5Y-3Nd-0.6Zr alloy showed highest yield strength at room temperature. With increasing amount of Gd, the thermal resistance was improved. The Mg-5Y-3Nd-4Gd-0.6Zr alloy exhibited highest UTS and YS at 250 degrees C, they were about 1.27 times higher than those of Gd-free alloy, which was mainly attributed to the increase of the beta-phase and Mg5RE strengthening phase.

Investigations of the properties of Mg-5Al-0.3Mn-xCe (x=0-3, wt.%) alloys

Mg-5Al-0.3Mn-xCe (x = 0-3, wt.%) alloys were prepared by metal mould casting method. The microstructures and mechanical properties were investigated. The results revealed that the main phases of as-cast Mg-5Al-0.3Mn alloy consist of alpha-Mg matrix and beta-Mg17Al12 phase. With the addition of Ce element, Al11Ce3 precipitates were formed and mainly aggregated along the grain boundaries. The amount of the Al11Ce3 precipitates increased with increasing addition of Ce, but the amount of beta-Mg17Al12 phase decreased. The highest tensile strength was obtained in Mg-5Al-0.3Mn-1.5Ce alloy. The ultimate tensile strength (UTS), yield strength (YS) and elongation at room temperature are 203 MPa, 88 MPa and 20%, separately.

Crystallization Behavior and Mechanical Properties of Crosslinked Plasticized Poly(L-lactic acid)

Enhancing the stability of plasticized poly(L-lactic acid) (PLLA) with poly (ethylene glycol) (PEG) is necessary for its practical application. In this study, plasticized PLLA (PLLA/PEG 80/20 wt/wt) was crosslinked under I-ray (Co-60) in the presence of triallyl isocyanurate (TALC) as crosslinking agent. FTIR analysis revealed that PLLA, PEG, and TALC formed a cocrosslinking structure. Crystallization behavior and mechanical properties of the crosslinked plasticized PLLA were investigated by differential scanning calorimetry (DSC), wide-angle X-ray diffraction (WAXD), scanning electron microscopy (SEM), and tensile tests. Experimental results indicated that the crystallization behaviors of both PEG and PLLA in the blends were restrained after irradiation. The melting peak of PEG in the crystallized samples disappeared at a low irradiation doses about 10 kGy. Although PLLA still owned the behavior of crystallize, its cold crystallization temperature and glass transition temperature shifted to higher temperature. Mechanical properties of the plasticized PLLA were strengthened through crosslinking. Both yield strength and elastic modulus of the samples increased after crosslinking.

Microstructures and properties of Mg-7Gd alloy containing Y

Mg-7 mass%Gd-x mass%Y (x = 0, 1, 3 and 5) alloys were prepared by casting method, and the microstructures, age hardening behavior and mechanical properties have been investigated. The results show that the addition of Y to the binary Mg-7Gd alloy could reduce the grain size of the as-cast alloys, and enhance the age hardening response and improve mechanical properties during the investigated temperature range. The Mg-7Gd-5Y alloy exhibits maximum ultimate tensile strength and yield strength at peak hardness, and the values are 258 and 167 MPa at room temperature, and 212 and 140 MPa at 250 degrees C, respectively, which is about 1.8 times as high as the Mg-7Gd binary alloy. When x is more than 3, the amount of Mg-5 (Gd,Y) phase is observed at the peak hardness of aged alloys. The significant improvement of the tensile strength at peak hardness is mainly attributed to the fine dispersion of the beta-Mg-5(Gd,Y) precipitate.

Microstructures and mechanical properties of Mg-8Gd-0.6Zr-xNd (x=0, 1, 2 and 3 mass%) alloys

Mg-8Gd-0.6Zr-xNd (x = 0, 1, 2 and 3 mass%) alloys were prepared by metal mould casting method, and the microstructures, age hardening responses and mechanical properties have been investigated. The microhardness of the as-cast alloys is increased with increasing Nd content. The age hardening behavior and mechanical properties are enhanced significantly by adding Nd element. The peak ageing hardness of the Mg-8Gd-0.6Zr-3Nd alloy is 103, it is about 1.3 times more than that of the Mg-8Gd-0.6Zr alloy. The aged Mg-8Gd-0.6Zr-3Nd alloy exhibits maximum ultimate tensile strength and yield strength, and the values are 271 and 205 MPa at room temperature, 205 MPa and 150 MPa at 250 degrees C, respectively. Which are about 2 times higher than those of Mg-8Gd-0.6Zr alloy. The improved hardness and strength are mainly attributed to the fine dispersiveness Of Mg5RE and Mg12RE precipitates in the alloy.

Structural characterization and property of in-situ synthesized AZ91-Mg2Si composite

A new-type Mg2Si composite was prepared with Mg-9Al-1Zn (AZ91) alloy and vermiculite as raw materials by melt infiltration method. The results show that the microstructure of composite consists of a large amount Of Mg2Si precipitates and a little amount of MgO embedded in alpha-Mg matrix. The Vickers hardness of the composite is obviously higher than that of matrix of AZ91 alloy. Moreover, the composite exhibits excellent compressive property. The ultimate compressive strength of the material is 290 MPa, the yield strength is 175 MPa, and the elongation is about 5%, which are higher than those of AZ91 alloy.

Effect of Y for enhanced age hardening response and mechanical properties of Mg-Gd-Y-Zr alloys

In this study, compositional dependence of age hardening response and tensile properties were investigated for Mg-10G(d-x)Y-0.4Zr (x = 1, 3, 5 wt.%) alloys. With increasing Y content, the age hardening response of the alloys enhanced and tensile properties increased. The Mg-10Gd-5Y-0.4Zr alloy exhibited maximum tensile strength and yield strength at aged-peak hardness, and the values were 302 MPa and 289 MPa at room temperature, and 340 MPa and 267 MPa at 250 degrees C, respectively. The strong peak age hardening was attributed to the precipitation of prismatic beta' plates in a triangular arrangement. The cubic shaped beta phase was also observed at grain boundaries. The remarkable improvement in strength is associated with a uniform and high dense distribution of beta' and cubic shaped beta precipitate phases in Mg matrix. Elongation of Mg-10Gd-0.4Zr alloys decreased with increasing Y content, and the elongation of Mg-10Gd-5Y-0.4Zr alloy was less than 3% below 250 degrees C, whereas the alloys containing I wt.% and 3 wt.% Y exhibited higher elongation than 5% at room temperature.

Surface modification of single-walled carbon nanotubes with polyethylene via in situ Ziegler-Natta polymerization

Single-walled carbon nanotubes (SWNTs) were modified with polyethylene (PE) prepared by in situ Ziegler-Natta polymerization. Because of the catalyst pre-treated on the surface of the SWNTs, the ethylene was expected to polymerize there. Scanning electron microscopy images and solubility measurements showed that the surface of the SWNTs was covered with a PE layer, and a crosslink may have formed between the SWNTs and PE. When the SWNTs covered with a PE layer were mixed with commercialized PE by melt blending, the resulting composite had better mechanical properties than the composite from the SWNTs without a PE layer. The yield strength, the tensile strength and modulus, the strain at break, and the fracture energy of the modified-SWNT/PE composites were improved by 25, 15.2, 25.4, 21, and 38% in comparison with those of the raw-SWNT/PE composites.